| SMILES,TC_mean | |
| */C(=C(\c1ccccc1)c1ccc(*)cc1)c1ccccc1,0.338 | |
| */C(F)=C(\F)C(F)(C(*)(F)F)C(F)(F)F,0.102 | |
| */C=C(/*)C#CCCCCCCCCCCCCCCCCCCCCC(=O)O,0.4105 | |
| */C=C(/*)CCCCCCCCCCCCCCCCCCCCC(=O)O,0.403 | |
| */C=C/*,0.526 | |
| */C=C/*,0.262 | |
| */C=C/C(C)C(*)C(=O)OC,0.189 | |
| */C=C/C(C)CCCCC*,0.2486666666666666 | |
| */C=C/C(C*)C(C)CC,0.203 | |
| */C=C/C(C*)CCC,0.218 | |
| */C=C/C1CCC(*)C1,0.2603333333333333 | |
| */C=C/CC*,0.2486666666666666 | |
| */C=C/CC*,0.272 | |
| */C=C/CC*,0.244 | |
| */C=C/CCC*,0.2535 | |
| */C=C/CCC*,0.2796 | |
| */C=C/CCCCC*,0.3143333333333333 | |
| */C=C/CCCCCC*,0.33 | |
| */C=C/CCCCCCC(Cl)CCCCCC*,0.3405 | |
| */C=C/CCCCCCCC*,0.3571666666666666 | |
| */C=C/CCCCCCCC*,0.3804999999999999 | |
| */C=C/CCCCCCCCCC(CCCCCCCCC*)COCCOCCOCCOCCOCCCCCC,0.31 | |
| */C=C/CCCCCCCCCC(CCCCCCCCC*)COCCOCCOCCOCCOCCCCCCCCCCCCCC,0.332 | |
| */C=C/CCCCCCCCCC(Cl)CCCCCCCCC*,0.3419999999999999 | |
| */C=C/CCCCCCCCCC*,0.4142 | |
| */C=C/c1cc(-c2ccc3c(c2)C(CCCCCCCC)(CCCCCCCC)c2ccccc2-3)c(*)cc1-c1ccc(F)cc1F,0.198 | |
| */C=C/c1cc(CCCCCCCCCCC)c(/C=C/c2ccc(*)cc2)cc1CCCCCCCCCCC,0.368 | |
| */C=C/c1cc(CCCCCCCCCCCC)c(*)s1,0.368 | |
| */C=C/c1cc(CCCCCCCCCCCC)c(/C=C/c2ccc(*)cc2)cc1CCCCCCCCCCCC,0.315 | |
| */C=C/c1cc(OCC(CC)CCCC)c(*)cc1-c1ccc(F)c(C(F)(F)F)c1,0.185 | |
| */C=C/c1cc(OCC(CC)CCCC)c(*)cc1-c1ccc(N(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1,0.242 | |
| */C=C/c1cc(OCC2CC3CC2C2CCCC32)c(*)cc1OC,0.258 | |
| */C=C/c1cc(OCC2CC3CC2C2CCCC32)c(*)cc1OCC1CC2CC1C1CCCC21,0.24 | |
| */C=C/c1cc(OCCCCCC)c(*)cc1OC,0.524 | |
| */C=C/c1cc(OCCCCCCCC)c(*)cc1OC,0.31 | |
| */C=C/c1cc(OCCCCCCCCCCCC)c(*)cc1OC,0.251 | |
| */C=C/c1cc(OCCCCCCCCCCCCCCCC)c(/C=C/c2ccc(*)cc2)cc1OCCCCCCCCCCCCCCCC,0.3329999999999999 | |
| */C=C/c1cc(OCCc2ccccc2)c(*)cc1OC,0.285 | |
| */C=C/c1ccc(*)c(-c2c(OCC(CC)CCCC)ccc3cc(-c4ccccc4)ccc23)c1,0.212 | |
| */C=C/c1ccc(*)c(-c2c(OCC(CC)CCCC)ccc3ccccc23)c1,0.257 | |
| */C=C/c1ccc(*)c(-c2cc(-c3ccccc3)c(OCC(CC)CCCC)cc2OCC(CC)CCCC)c1,0.256 | |
| */C=C/c1ccc(*)c(-c2cc(OCC(CC)CCCC)c(-c3ccccc3)cc2OCC(CC)CCCC)c1,0.237 | |
| */C=C/c1ccc(*)c(-c2cc(OCC(CC)CCCC)c(OCC(CC)CCCC)cc2-c2ccccc2)c1,0.196 | |
| */C=C/c1ccc(*)c(-c2cc(OCCC(C)C)c(OCCC(C)C)cc2-c2ccc(C(F)(F)F)cc2)c1,0.184 | |
| */C=C/c1ccc(*)c(-c2cc(OCCC(C)C)c(OCCC(C)C)cc2-c2ccc(F)cc2)c1,0.334 | |
| */C=C/c1ccc(*)c(-c2cc(OCCC(C)C)c(OCCC(C)C)cc2-c2ccc(OC)cc2)c1,0.308 | |
| */C=C/c1ccc(*)c(-c2cc(OCCC(C)C)c(OCCC(C)C)cc2-c2ccccc2)c1,0.307 | |
| */C=C/c1ccc(*)c(-c2ccc(OCC(CC)CCCC)c3ccccc23)c1,0.219 | |
| */C=C/c1ccc(*)c2ccc(CCCCCC)cc12,0.339 | |
| */C=C/c1ccc(*)c2ccc(CCCCCCCCCCC)cc12,0.27 | |
| */C=C/c1sc(*)c(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC,0.365 | |
| */C=C/c1sc(/C=C/c2cc(CCCCCCCCCCCC)c(*)s2)cc1CCCCCCCCCCCC,0.291 | |
| *C(*)C,0.2033333333333333 | |
| *C(*)CC,0.206 | |
| *C(=O)N(*)CCCCCCCCCCCCCCCCCC,0.408 | |
| *C(=O)NCCCCCCCCCCNC(=O)c1ccc(*)o1,0.217 | |
| *C(=O)Nc1ccc(Oc2ccc(N3C(=O)c4ccc(*)cc4C3=O)cc2)cc1,0.297 | |
| *C(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(C(=O)c4cccc(C(=O)c5ccc(Oc6ccc(N7C(=O)c8ccc(*)cc8C7=O)cc6)cc5)c4)cc3)cc1)C2=O,0.328 | |
| *C(F)(F)C(*)(F)Cl,0.139 | |
| *C(F)(F)C(F)(F)C1(F)C(*)(F)OC(F)(F)C1(F)F,0.1265 | |
| *C([2H])([2H])C(*)([2H])c1c([2H])c([2H])c([2H])c([2H])c1[2H],0.199 | |
| *C1=NC2=CC(=CC=C2N1)C1=CC2=C(NC(O2)C2=CC=C(OC3=C4C5C6=C(C=CC=C6)C(C6=C5C=CC=C6)C4=C(OC4=CC=C(*)C=C4)C4=C3C3C5=C(C=CC=C5)C4C4=C3C=CC=C4)C=C2)C=C1,0.18 | |
| *C1=NC2=CC(=CC=C2N1)C1=CC2=C(NC(O2)C2=CC=C(OC3=CC=C(OC4=CC=C(*)C=C4)C4=C3C3C5=C(C=CC=C5)C4C4=C3C=CC=C4)C=C2)C=C1,0.252 | |
| *C1C(=O)N(C2CCCCC2)C(=O)C1*,0.1485 | |
| *C1C(=O)N(c2ccc(C)cc2)C(=O)C1*,0.1405 | |
| *C1C(=O)N(c2ccccc2)C(=O)C1*,0.143 | |
| *C1C(=O)N(c2ccccc2C(=O)OC)C(=O)C1*,0.143 | |
| *C1C(=O)OC(=O)C1*,0.1425 | |
| *C1C=CC(*)C1,0.2784999999999999 | |
| *C1CCC1*,0.163 | |
| *C1Cc2ccccc2C1*,0.13 | |
| *CC(*)(C#N)C(=O)OC,0.161 | |
| *CC(*)(C#N)C(=O)OCC,0.1805 | |
| *CC(*)(C#N)C(=O)OCCCC,0.179 | |
| *CC(*)(C#N)C(=O)OCCCCCC,0.217 | |
| *CC(*)(C(=O)OC)c1ccccc1,0.1426666666666667 | |
| *CC(*)(C)C,0.2125 | |
| *CC(*)(C)C#N,0.146 | |
| *CC(*)(C)C(=O)NC(=O)OC(C)COc1c(Br)cc(S(=O)(=O)c2cc(Br)c(OCC(C)O)c(Br)c2)cc1Br,0.15 | |
| *CC(*)(C)C(=O)NC(=O)Oc1c(Br)cc(S(=O)(=O)c2cc(Br)c(O)c(Br)c2)cc1Br,0.109 | |
| *CC(*)(C)C(=O)OC,0.1594999999999999 | |
| *CC(*)(C)C(=O)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F,0.0465 | |
| *CC(*)(C)C(=O)OC(C(F)(F)F)C(F)(F)F,0.0755 | |
| *CC(*)(C)C(=O)OC(C)(C)C,0.1525 | |
| *CC(*)(C)C(=O)OC(C)C(C)(C)C,0.1674999999999999 | |
| *CC(*)(C)C(=O)OC(C)C(F)(F)F,0.1139999999999999 | |
| *CC(*)(C)C(=O)OC(C)CC,0.182 | |
| *CC(*)(C)C(=O)OC(F)(C(F)(F)F)C(F)(F)Cl,0.069 | |
| *CC(*)(C)C(=O)OC(F)(C(F)(F)F)C(F)(F)F,0.069 | |
| *CC(*)(C)C(=O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0.084 | |
| *CC(*)(C)C(=O)OC12CC3CC(C)(CC(C)(C3)C1)C2,0.122 | |
| *CC(*)(C)C(=O)OC12CC3CC(CC(C3)C1)C2,0.1245 | |
| *CC(*)(C)C(=O)OC1CC(C)CC(C)(C)C1,0.146 | |
| *CC(*)(C)C(=O)OC1CC2CCC1(C)C2(C)C,0.143 | |
| *CC(*)(C)C(=O)OC1CCC(C(C)(C)C)CC1,0.153 | |
| *CC(*)(C)C(=O)OC1CCC(C)CC1,0.1709999999999999 | |
| *CC(*)(C)C(=O)OC1CCCC(C)C1,0.1545 | |
| *CC(*)(C)C(=O)OC1CCCCC1,0.2239999999999999 | |
| *CC(*)(C)C(=O)OC1CCCCC1C,0.153 | |
| *CC(*)(C)C(=O)OCC,0.1699999999999999 | |
| *CC(*)(C)C(=O)OCC(C)(C)C,0.1555 | |
| *CC(*)(C)C(=O)OCC(C)(C)C1OCC(C)(C)CO1,0.1619999999999999 | |
| *CC(*)(C)C(=O)OCC(CC)CCCC,0.1935 | |
| *CC(*)(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,0.09 | |
| *CC(*)(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0.0735 | |
| *CC(*)(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,0.113 | |
| *CC(*)(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F,0.095 | |
| *CC(*)(C)C(=O)OCC1(C)COC(C)(C)OC1,0.1525 | |
| *CC(*)(C)C(=O)OCC1(C)COCOC1,0.1305 | |
| *CC(*)(C)C(=O)OCC1CCCO1,0.172 | |
| *CC(*)(C)C(=O)OCC1CO1,0.1855 | |
| *CC(*)(C)C(=O)OCCBr,0.128 | |
| *CC(*)(C)C(=O)OCCC#N,0.138 | |
| *CC(*)(C)C(=O)OCCC(C)(C)C,0.1895 | |
| *CC(*)(C)C(=O)OCCC(C)CC(C)(C)C,0.198 | |
| *CC(*)(C)C(=O)OCCCC,0.203 | |
| *CC(*)(C)C(=O)OCCCCC,0.1895 | |
| *CC(*)(C)C(=O)OCCCCCC,0.184 | |
| *CC(*)(C)C(=O)OCCCCCCCC,0.2415 | |
| *CC(*)(C)C(=O)OCCCCCCCCCC,0.259 | |
| *CC(*)(C)C(=O)OCCCCCCCCCCCC,0.2665 | |
| *CC(*)(C)C(=O)OCCCCCCCCCCCCCC,0.3115 | |
| *CC(*)(C)C(=O)OCCCCCCCCCCCCCCCC,0.26 | |
| *CC(*)(C)C(=O)OCCCCCCCCCCCCCCCCCC,0.317 | |
| *CC(*)(C)C(=O)OCCCCCCOc1ccc(-c2ccc(OC)cc2)cc1,0.2175 | |
| *CC(*)(C)C(=O)OCCCCn1c2ccccc2c2ccccc21,0.1694999999999999 | |
| *CC(*)(C)C(=O)OCCCl,0.1325 | |
| *CC(*)(C)C(=O)OCCF,0.1679999999999999 | |
| *CC(*)(C)C(=O)OCCN(C)C,0.2005 | |
| *CC(*)(C)C(=O)OCCN(CC)CC,0.2375 | |
| *CC(*)(C)C(=O)OCCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0.1095 | |
| *CC(*)(C)C(=O)OCCN(CC)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1,0.19 | |
| *CC(*)(C)C(=O)OCCNC(C)(C)C,0.184 | |
| *CC(*)(C)C(=O)OCCOC,0.1815 | |
| *CC(*)(C)C(=O)OCCOCC,0.212 | |
| *CC(*)(C)C(=O)OCCS(=O)CC,0.199 | |
| *CC(*)(C)C(=O)OCC[N+](=O)[O-],0.1895 | |
| *CC(*)(C)C(=O)OCCc1ccccc1,0.168 | |
| *CC(*)(C)C(=O)OCc1cccc([N+](=O)[O-])c1,0.158 | |
| *CC(*)(C)C(=O)OCc1ccccc1,0.1755 | |
| *CC(*)(C)C(=O)OCc1ccccc1Cl,0.159 | |
| *CC(*)(C)C(=O)OCc1ccco1,0.172 | |
| *CC(*)(C)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,0.0829999999999999 | |
| *CC(*)(C)C(=O)Oc1ccc(C#N)cc1,0.1345 | |
| *CC(*)(C)C(=O)Oc1ccc(C(C)(C)C)cc1,0.181 | |
| *CC(*)(C)C(=O)Oc1ccc(C)cc1,0.1545 | |
| *CC(*)(C)C(=O)Oc1ccc(C)cc1C,0.157 | |
| *CC(*)(C)C(=O)Oc1ccc(CC#N)cc1,0.1655 | |
| *CC(*)(C)C(=O)Oc1ccc2ccccc2c1,0.1639999999999999 | |
| *CC(*)(C)C(=O)Oc1cccc(C)c1,0.151 | |
| *CC(*)(C)C(=O)Oc1ccccc1,0.184 | |
| *CC(*)(C)C(=O)Oc1ccccc1C,0.1905 | |
| *CC(*)(C)C(C)=O,0.1669999999999999 | |
| *CC(*)(C)C(N)=O,0.145 | |
| *CC(*)(C)CC,0.17 | |
| *CC(*)(C)CCC,0.174 | |
| *CC(*)(C)c1ccc(C(C)C)cc1,0.2013333333333333 | |
| *CC(*)(C)c1ccccc1,0.164 | |
| *CC(*)(CC(=O)OC)C(=O)OC,0.152 | |
| *CC(*)(CC(=O)OC1CCCCC1)C(=O)OC1CCCCC1,0.1694999999999999 | |
| *CC(*)(CC(=O)OCC)C(=O)OCC,0.1689999999999999 | |
| *CC(*)(CC(=O)OCC1CCCCC1)C(=O)OCC1CCCCC1,0.19 | |
| *CC(*)(CC(=O)OCCC)C(=O)OCCC,0.1845 | |
| *CC(*)(CC(=O)OCCC1CCCCC1)C(=O)OCCC1CCCCC1,0.213 | |
| *CC(*)(CC(=O)OCCCC)C(=O)OCCCC,0.2249999999999999 | |
| *CC(*)(CC(=O)OCCCC1CCCCC1)C(=O)OCCCC1CCCCC1,0.199 | |
| *CC(*)(CC(=O)OCCCCC)C(=O)OCCCCC,0.215 | |
| *CC(*)(CC(=O)OCCCCCC)C(=O)OCCCCCC,0.2319999999999999 | |
| *CC(*)(CC(=O)OCCCc1ccccc1)C(=O)OCCCc1ccccc1,0.2055 | |
| *CC(*)(CC(=O)OCCc1ccccc1)C(=O)OCCc1ccccc1,0.199 | |
| *CC(*)(CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1,0.176 | |
| *CC(*)(CC(=O)Oc1ccc(C)cc1)C(=O)Oc1ccc(C)cc1,0.182 | |
| *CC(*)(CC(=O)Oc1cccc(C)c1)C(=O)Oc1cccc(C)c1,0.165 | |
| *CC(*)(CC(=O)Oc1ccccc1)C(=O)Oc1ccccc1,0.154 | |
| *CC(*)(CC(=O)Oc1ccccc1C)C(=O)Oc1ccccc1C,0.1635 | |
| *CC(*)(CC)C(=O)OCC,0.145 | |
| *CC(*)(CF)C(=O)OC,0.1365 | |
| *CC(*)(CF)C(=O)OCC,0.1684999999999999 | |
| *CC(*)(Cl)C(=O)OC(C)C,0.1465 | |
| *CC(*)(Cl)C(=O)OC(C)CC,0.174 | |
| *CC(*)(Cl)C(=O)OC1CCCCC1,0.1365 | |
| *CC(*)(Cl)C(=O)OCC,0.1985 | |
| *CC(*)(Cl)C(=O)OCCC,0.173 | |
| *CC(*)(Cl)C(=O)OCCCC,0.178 | |
| *CC(*)(F)C#N,0.154 | |
| *CC(*)(F)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0.095 | |
| *CC(*)(F)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,0.108 | |
| *CC(*)(F)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,0.106 | |
| *CC(*)(F)C(=O)OCC(F)(F)C(F)(F)C(F)(F)F,0.097 | |
| *CC(*)(F)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0.121 | |
| *CC(*)C,0.2445 | |
| *CC(*)C#N,0.207 | |
| *CC(*)C(=O)C(C)C,0.203 | |
| *CC(*)C(=O)C1CCCCC1,0.204 | |
| *CC(*)C(=O)N(C(C)C)C(C)C,0.1865 | |
| *CC(*)C(=O)N(C)C,0.2125 | |
| *CC(*)C(=O)N(C)c1ccccc1,0.1775 | |
| *CC(*)C(=O)N(CCCC)CCCC,0.211 | |
| *CC(*)C(=O)N1CCCCC1,0.218 | |
| *CC(*)C(=O)N1CCOCC1,0.212 | |
| *CC(*)C(=O)NC(C)(C)C,0.199 | |
| *CC(*)C(=O)NC(C)C,0.203 | |
| *CC(*)C(=O)NC(C)CC,0.2259999999999999 | |
| *CC(*)C(=O)NCCCC,0.252 | |
| *CC(*)C(=O)NCCCCCC(=O)O,0.2495 | |
| *CC(*)C(=O)NCCCCCCCC/C=C/CCCCCCCC,0.3065 | |
| *CC(*)C(=O)NCCCCCCCCCCCC,0.3435 | |
| *CC(*)C(=O)NCCCCCCCCCCCCCC,0.3746666666666667 | |
| *CC(*)C(=O)NCCCCCCCCCCCCCCCC,0.3105 | |
| *CC(*)C(=O)NCCCCCCCCCCCCCCCCCC,0.383 | |
| *CC(*)C(=O)NCCCCCCCCCCCCCCCCCCCCCC,0.3665 | |
| *CC(*)C(=O)OC(C)CC(C)C,0.207 | |
| *CC(*)C(=O)OC(C)CCC(CC)CCCC,0.212 | |
| *CC(*)C(=O)OC(C)CCCCC,0.2405 | |
| *CC(*)C(=O)OC(C)CCCCCC,0.245 | |
| *CC(*)C(=O)OC(CC)CC,0.213 | |
| *CC(*)C(=O)OC(CCC(CC)CCCC)CC(C)C,0.2319999999999999 | |
| *CC(*)C(=O)OC(F)(C(F)(F)F)C(F)(F)F,0.1119999999999999 | |
| *CC(*)C(=O)OC12CC3CC(C)(CC(C)(C3)C1)C2,0.1635 | |
| *CC(*)C(=O)OC1CC(C)CC(C)(C)C1,0.2205 | |
| *CC(*)C(=O)OC1CCCCC1,0.201 | |
| *CC(*)C(=O)OCC,0.2305 | |
| *CC(*)C(=O)OCC(C)(C)C,0.2115 | |
| *CC(*)C(=O)OCC(C)CC,0.221 | |
| *CC(*)C(=O)OCC(C)CCC,0.217 | |
| *CC(*)C(=O)OCC(CC)CC,0.2095 | |
| *CC(*)C(=O)OCC(CC)CCCC,0.2309999999999999 | |
| *CC(*)C(=O)OCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,0.086 | |
| *CC(*)C(=O)OCCC#N,0.195 | |
| *CC(*)C(=O)OCCC(C)C,0.224 | |
| *CC(*)C(=O)OCCC(C)OC,0.212 | |
| *CC(*)C(=O)OCCCC,0.2075 | |
| *CC(*)C(=O)OCCCCCC,0.2565 | |
| *CC(*)C(=O)OCCCCCC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1,0.2299999999999999 | |
| *CC(*)C(=O)OCCCCCCCCC,0.281 | |
| *CC(*)C(=O)OCCCCCCCCCCCCCC,0.3215 | |
| *CC(*)C(=O)OCCCCCCCCCCCCCCCC,0.3626666666666667 | |
| *CC(*)C(=O)OCCCCCCCCCCCCCCCCCC,0.3795 | |
| *CC(*)C(=O)OCCCCCCCCCCCCCCCCCCCCCC,0.3585 | |
| *CC(*)C(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1,0.2245 | |
| *CC(*)C(=O)OCCCCCCSCC#N,0.2175 | |
| *CC(*)C(=O)OCCCCSC,0.2005 | |
| *CC(*)C(=O)OCCCSC,0.211 | |
| *CC(*)C(=O)OCCCSCC,0.2155 | |
| *CC(*)C(=O)OCCCSCCC#N,0.219 | |
| *CC(*)C(=O)OCCN(CC)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1,0.2135 | |
| *CC(*)C(=O)OCCSC,0.181 | |
| *CC(*)C(=O)OCCSCC,0.2175 | |
| *CC(*)C(=O)OCCSCC#N,0.183 | |
| *CC(*)C(=O)OCCSCCC#N,0.1875 | |
| *CC(*)C(=O)OCCSCCCC#N,0.18 | |
| *CC(*)C(=O)OCCc1ccccc1,0.196 | |
| *CC(*)C(=O)OCc1ccc(C#N)cc1,0.182 | |
| *CC(*)C(=O)OCc1ccccc1,0.1985 | |
| *CC(*)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl,0.0849999999999999 | |
| *CC(*)C(=O)Oc1ccc(-c2ccccc2)cc1,0.2055 | |
| *CC(*)C(=O)Oc1ccc(C#N)cc1,0.1845 | |
| *CC(*)C(=O)Oc1ccc(C(=O)OCCCC)cc1,0.2329999999999999 | |
| *CC(*)C(=O)Oc1ccc(C(C)(C)C)cc1,0.2245 | |
| *CC(*)C(=O)Oc1ccc(C)cc1,0.193 | |
| *CC(*)C(=O)Oc1ccc(Cl)cc1,0.158 | |
| *CC(*)C(=O)Oc1ccc(Cl)cc1Cl,0.119 | |
| *CC(*)C(=O)Oc1ccc(OC)cc1,0.208 | |
| *CC(*)C(=O)Oc1cccc(C)c1,0.2055 | |
| *CC(*)C(=O)Oc1cccc(N(C)C)c1,0.221 | |
| *CC(*)C(=O)Oc1cccc2ccccc12,0.1644999999999999 | |
| *CC(*)C(=O)Oc1ccccc1,0.196 | |
| *CC(*)C(=O)Oc1ccccc1C,0.1735 | |
| *CC(*)C(=O)Oc1ccccc1C(C)(C)C,0.175 | |
| *CC(*)C(=O)Oc1ccccc1Cl,0.166 | |
| *CC(*)C(=O)c1ccc(C(C)(C)C)cc1,0.1915 | |
| *CC(*)C(=O)c1ccc(C)cc1,0.1975 | |
| *CC(*)C(C)(C)C,0.1363333333333333 | |
| *CC(*)C(C)=O,0.179 | |
| *CC(*)C(C)C,0.1868 | |
| *CC(*)C(C)CC,0.1897499999999999 | |
| *CC(*)C(C)c1ccccc1,0.1506666666666666 | |
| *CC(*)C(CC)CC,0.1883333333333333 | |
| *CC(*)C1CC1,0.2175 | |
| *CC(*)C1CC=CCC1,0.18075 | |
| *CC(*)C1CCC(C)CC1,0.1996666666666666 | |
| *CC(*)C1CCC1,0.209 | |
| *CC(*)C1CCCC(C)C1,0.1806666666666666 | |
| *CC(*)C1CCCC1,0.2016666666666666 | |
| *CC(*)C1CCCCC1,0.1906666666666666 | |
| *CC(*)C=O,0.2425 | |
| *CC(*)CC,0.2253333333333333 | |
| *CC(*)CC(C)(C)C,0.1735 | |
| *CC(*)CC(C)(C)CC,0.1863333333333333 | |
| *CC(*)CC(C)C,0.2083333333333333 | |
| *CC(*)CC(C)C(F)(F)F,0.148 | |
| *CC(*)CC(C)CC,0.202 | |
| *CC(*)CC(CC)CC,0.219 | |
| *CC(*)CC1CCCC1,0.2283333333333333 | |
| *CC(*)CC1CCCCC1,0.2256 | |
| *CC(*)CCC,0.2463333333333333 | |
| *CC(*)CCC(C)(C)C,0.1929999999999999 | |
| *CC(*)CCC(C)C,0.216 | |
| *CC(*)CCC(C)CC,0.229 | |
| *CC(*)CCC1CCCCC1,0.2176666666666666 | |
| *CC(*)CCCC,0.2306666666666666 | |
| *CC(*)CCCC(C)(C)C,0.216 | |
| *CC(*)CCCC(C)C,0.2573333333333333 | |
| *CC(*)CCCC1CCCCC1,0.2463333333333333 | |
| *CC(*)CCCCC,0.2583999999999999 | |
| *CC(*)CCCCCC,0.238 | |
| *CC(*)CCCCCCC,0.2669999999999999 | |
| *CC(*)CCCCCCCC,0.286 | |
| *CC(*)CCCCCCCCC,0.3193333333333333 | |
| *CC(*)CCCCCCCCCC,0.33575 | |
| *CC(*)CCCCCCCCCCC,0.3206666666666666 | |
| *CC(*)CCCCCCCCCCCC,0.339 | |
| *CC(*)CCCCCCCCCCCCC,0.3383333333333333 | |
| *CC(*)CCCCCCCCCCCCCC,0.3409999999999999 | |
| *CC(*)CCCCCCCCCCCCCCCC,0.375 | |
| *CC(*)CCCCCCCCCCCCCCCCCC,0.381 | |
| *CC(*)CCCCCCCCCCCCCCCCCCCC,0.4019999999999999 | |
| *CC(*)CCCN(CC(C)C)CC(C)C,0.201 | |
| *CC(*)CCc1ccccc1,0.1803333333333333 | |
| *CC(*)CNc1ccc([N+](=O)[O-])cn1,0.192 | |
| *CC(*)Cc1ccccc1,0.1963333333333333 | |
| *CC(*)Cl,0.139 | |
| *CC(*)O,0.424 | |
| *CC(*)OC,0.2614999999999999 | |
| *CC(*)OC(=O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F,0.086 | |
| *CC(*)OC(=O)CC,0.212 | |
| *CC(*)OC(=O)CCCCCCCCCCC,0.261 | |
| *CC(*)OC(=O)CCCCCCCCCCCCCCC,0.319 | |
| *CC(*)OC(=O)CCCCCCCCCCCCCCCCC,0.305 | |
| *CC(*)OC(=O)CCCCCCCCCCCCCCCCCCCCC,0.371 | |
| *CC(*)OC(=O)c1ccc(OC(=O)CCC)cc1,0.223 | |
| *CC(*)OC(=O)c1ccccc1,0.1669999999999999 | |
| *CC(*)OC(C)C,0.2115 | |
| *CC(*)OCC,0.2465 | |
| *CC(*)OCCCCCCCCCCCCCCCCCC,0.3868 | |
| *CC(*)O[N+](=O)[O-],0.1585 | |
| *CC(*)c1c(C)cc(C)cc1C,0.1669999999999999 | |
| *CC(*)c1cc(Br)ccc1OC,0.132 | |
| *CC(*)c1cc(Br)ccc1OC(C)C,0.124 | |
| *CC(*)c1cc(Br)ccc1OCC,0.124 | |
| *CC(*)c1cc(Br)ccc1OCCC,0.136 | |
| *CC(*)c1cc(Br)ccc1OCCC(C)C,0.1674999999999999 | |
| *CC(*)c1cc(Br)ccc1OCCCC,0.1493333333333333 | |
| *CC(*)c1cc(Br)ccc1OCCCCC,0.1545 | |
| *CC(*)c1cc(C(C)(C)C)ccc1C,0.1636666666666666 | |
| *CC(*)c1cc(C(C)C)ccc1C(C)C,0.1616666666666666 | |
| *CC(*)c1cc(C)c(C)cc1C,0.2095 | |
| *CC(*)c1cc(C)ccc1C,0.173 | |
| *CC(*)c1cc(C)ccc1F,0.171 | |
| *CC(*)c1cc(Cl)ccc1Cl,0.1119999999999999 | |
| *CC(*)c1cc(F)ccc1F,0.1403333333333333 | |
| *CC(*)c1ccc(C(=O)CCCCCCC)cc1,0.2663333333333333 | |
| *CC(*)c1ccc(C(=O)CCN2CCCCC2)cc1,0.225 | |
| *CC(*)c1ccc(C(=O)N(C)C)cc1,0.246 | |
| *CC(*)c1ccc(C(=O)N(CC)CC)cc1,0.213 | |
| *CC(*)c1ccc(C(=O)N2CCOCC2)cc1,0.24 | |
| *CC(*)c1ccc(C(=O)O)c(C(=O)O)c1,0.171 | |
| *CC(*)c1ccc(C(=O)OC)cc1,0.2033333333333333 | |
| *CC(*)c1ccc(C(=O)OCCN(C)C)cc1,0.2314999999999999 | |
| *CC(*)c1ccc(C(C)(C)C)cc1,0.184 | |
| *CC(*)c1ccc(C(C)(C)O)cc1,0.2316666666666666 | |
| *CC(*)c1ccc(C(C)(O)CC)cc1,0.2266666666666666 | |
| *CC(*)c1ccc(C(C)=O)cc1,0.2296666666666666 | |
| *CC(*)c1ccc(C(C)C)cc1C(C)C,0.1979999999999999 | |
| *CC(*)c1ccc(C)c(C)c1,0.1905 | |
| *CC(*)c1ccc(C)cc1,0.1873333333333333 | |
| *CC(*)c1ccc(C)cc1C,0.1856666666666666 | |
| *CC(*)c1ccc(CC)cc1,0.2013333333333333 | |
| *CC(*)c1ccc(CCC)cc1,0.2345 | |
| *CC(*)c1ccc(CCCC)cc1,0.2096666666666666 | |
| *CC(*)c1ccc(CCCCCC)cc1,0.241 | |
| *CC(*)c1ccc(CCCCCCCC)cc1,0.2674999999999999 | |
| *CC(*)c1ccc(CCCCCCCCC)cc1,0.277 | |
| *CC(*)c1ccc(CCCCCCCCCC)cc1,0.2825 | |
| *CC(*)c1ccc(CCCCCCCCCCCC)cc1,0.3035 | |
| *CC(*)c1ccc(CCCCCCCCCCCCCC)cc1,0.3399999999999999 | |
| *CC(*)c1ccc(CCCCCCCCCCCCCCCC)cc1,0.3409999999999999 | |
| *CC(*)c1ccc(CCCCCCCCCCCCCCCCCC)cc1,0.3751666666666667 | |
| *CC(*)c1ccc(COCC(CC)CCCC)cc1,0.268 | |
| *CC(*)c1ccc(COCCCCCC)cc1,0.252 | |
| *CC(*)c1ccc(COCCCCCCOc2ccc(-c3ccc(OC)cc3)cc2)cc1,0.3 | |
| *CC(*)c1ccc(COCCOCCCC)cc1,0.262 | |
| *CC(*)c1ccc(COCCOCCCCCCCC)cc1,0.282 | |
| *CC(*)c1ccc(Cl)c(C)c1,0.154 | |
| *CC(*)c1ccc(Cl)c(Cl)c1,0.114 | |
| *CC(*)c1ccc(Cl)c(F)c1,0.1275 | |
| *CC(*)c1ccc(Cl)cc1C,0.1366666666666667 | |
| *CC(*)c1ccc(Cl)cc1Cl,0.1006666666666666 | |
| *CC(*)c1ccc(F)cc1C,0.1413333333333333 | |
| *CC(*)c1ccc(O)cc1,0.2073333333333333 | |
| *CC(*)c1ccc(OC(C)=O)cc1,0.2005 | |
| *CC(*)c1cccc(-c2ccc(-c3ccccc3)cc2)c1,0.1956666666666666 | |
| *CC(*)c1cccc(C)c1,0.1973333333333333 | |
| *CC(*)c1cccc(CC)c1,0.186 | |
| *CC(*)c1cccc(Cl)c1,0.14175 | |
| *CC(*)c1cccc(F)c1,0.1623333333333333 | |
| *CC(*)c1cccc2ccccc12,0.194 | |
| *CC(*)c1ccccc1,0.2045999999999999 | |
| *CC(*)c1ccccc1C,0.1903333333333333 | |
| *CC(*)c1ccccc1C(=O)N(C)C,0.165 | |
| *CC(*)c1ccccc1C(=O)NC,0.1836666666666666 | |
| *CC(*)c1ccccc1C(=O)Nc1ccccc1,0.1636666666666666 | |
| *CC(*)c1ccccc1C(=O)OC,0.1736666666666666 | |
| *CC(*)c1ccccc1C(=O)OC(C)C,0.1736666666666666 | |
| *CC(*)c1ccccc1C(=O)OCC,0.1816666666666666 | |
| *CC(*)c1ccccc1C(=O)OCC(C)C,0.1696666666666666 | |
| *CC(*)c1ccccc1C(=O)OCCC,0.1929999999999999 | |
| *CC(*)c1ccccc1C(=O)OCCC(C)C,0.1929999999999999 | |
| *CC(*)c1ccccc1C(=O)OCCCC,0.1953333333333333 | |
| *CC(*)c1ccccc1C(=O)OCCCCC,0.1923333333333333 | |
| *CC(*)c1ccccc1C(=O)OCCCCCC,0.2056666666666666 | |
| *CC(*)c1ccccc1C(=O)OCCN(C)C,0.1853333333333333 | |
| *CC(*)c1ccccc1C(=O)Oc1ccccc1,0.1693333333333333 | |
| *CC(*)c1ccccc1CC,0.1843333333333333 | |
| *CC(*)c1ccccc1COC,0.2066666666666666 | |
| *CC(*)c1ccccc1COC(C)C,0.171 | |
| *CC(*)c1ccccc1COCC,0.1846666666666666 | |
| *CC(*)c1ccccc1COCCC,0.217 | |
| *CC(*)c1ccccc1COCCC(C)C,0.1943333333333333 | |
| *CC(*)c1ccccc1COCCCC,0.2096666666666666 | |
| *CC(*)c1ccccc1COCCCCC,0.186 | |
| *CC(*)c1ccccc1COCCc1ccccc1,0.1883333333333333 | |
| *CC(*)c1ccccc1COCc1ccccc1,0.1913333333333333 | |
| *CC(*)c1ccccc1Cl,0.1436666666666667 | |
| *CC(*)c1ccccc1F,0.1746666666666666 | |
| *CC(*)c1ccccc1OC,0.1946666666666666 | |
| *CC(*)c1ccccn1,0.196 | |
| *CC(*)c1cccs1,0.1995 | |
| *CC(*)n1c2ccccc2c2ccccc21,0.147 | |
| *CC(*)n1cc2ccccc2n1,0.2075 | |
| *CC(=O)N*,0.277 | |
| *CC(=O)c1ccc(Oc2ccc(C(=O)COc3ccc(/C=C4\CC/C(=C\c5ccc(O*)c(OC)c5)C4=O)cc3OC)cc2)cc1,0.228 | |
| *CC(=O)c1ccc(Oc2ccc(C(=O)COc3ccc(/C=C4\CC/C(=C\c5ccc(O*)cc5)C4=O)cc3)cc2)cc1,0.259 | |
| *CC(C)(C)CS(=O)(=O)CC(C)(C)COC(=O)O*,0.186 | |
| *CC(C)(C)O*,0.1995 | |
| *CC(C)C(*)(C)C,0.2026666666666666 | |
| *CC(CC(*)(C#N)C(=O)OC)c1ccccc1,0.176 | |
| *CC(CCCCCCCCCCCCCCCC)C(CCCCCCCCCCCCCCCC)COC(=O)c1ccc(C(=O)O*)cc1,0.354 | |
| *CC(CCCCCCCCCCCCCCCC)C1C(=O)N(CCCCCCCCCCCC)C(=O)C1*,0.335 | |
| *CC(CCl)(CCl)O*,0.1159999999999999 | |
| *CC(F)(F)C1(F)CC(C(O)(C(F)(F)F)C(F)(F)F)CC1*,0.109 | |
| *CC(O)COc1c(Cl)cc(C(C)(C)c2cc(Cl)c(O*)c(Cl)c2)cc1Cl,0.1485 | |
| *CC(O)COc1ccc(C(C)(C)c2ccc(O*)cc2)cc1,0.198 | |
| *CC(O*)c1ccccc1,0.181 | |
| *CC(c1ccccn1)C(c1ccccc1)C(*)c1ccccn1,0.151 | |
| *CC/C=C(/*)C,0.256 | |
| *CC/C=C(/*)C,0.258 | |
| *CC/C=C(/*)C,0.235 | |
| *CC/C=C(/*)C(C)(C)C,0.20825 | |
| *CC/C=C(/*)C(C)C,0.21 | |
| *CC/C=C(/*)CCC,0.2233333333333333 | |
| *CC/C=C(/*)CCCCCCC,0.269 | |
| *CC1(*)CCC(C)CC1,0.164 | |
| *CC1(*)CCCCC1,0.1443333333333333 | |
| *CC1CCC(*)C1,0.3353333333333333 | |
| *CC1CCC(COC(=O)CCCCCCCCCCC(=O)O*)CC1,0.279 | |
| *CC1CCC(COC(=O)NCCSCCCCCCSCCNC(=O)O*)CC1,0.24 | |
| *CCC(*)(C)C,0.1956666666666666 | |
| *CCC(=O)OC(=O)CCc1ccc(*)o1,0.216 | |
| *CCC(=O)Oc1ccc(OC(=O)CCN2CCN(*)CC2)cc1,0.224 | |
| *CCC(C(=O)OCC)C(*)C(=O)OCC,0.2075 | |
| *CCC(C)C(*)C,0.2329999999999999 | |
| *CCC(C)CCC(=O)O*,0.253 | |
| *CCC(Cl)C(*)Cl,0.1795 | |
| *CCC/C=C(/*)c1ccc(Cl)cc1,0.184 | |
| *CCC1CCCC1*,0.2863333333333333 | |
| *CCCC(*)(C)C,0.236 | |
| *CCCC(*)(C)C(=O)O,0.1985 | |
| *CCCC(*)(C)CC,0.2339999999999999 | |
| *CCCC(=O)NCc1ccc(CNC(=O)CCCO*)cc1,0.259 | |
| *CCCC1CC(=O)N(*)C(=O)C1,0.23 | |
| *CCCC1CCN(C(=O)SSCCCCSSC(=O)N2CCC(*)CC2)CC1,0.223 | |
| *CCCCC(C)CC(=O)N*,0.254 | |
| *CCCCCC(*)CCCCCCCCCC,0.406 | |
| *CCCCCC(*)CCCCCCCCCCCC,0.381 | |
| *CCCCCC(*)CCCCCCCCCCCCCC,0.403 | |
| *CCCCCC(=O)N*,0.301 | |
| *CCCCCCC(=O)NCCCCCCNC(=O)CCCCCCO*,0.3215 | |
| *CCCCCCCC(*)C,0.371 | |
| *CCCCCCCC(=O)N*,0.329 | |
| *CCCCCCCCC(=O)NCCCCCCNC(=O)CCCCCCCCO*,0.3575 | |
| *CCCCCCCCC(=O)NCCCCCCNC(=O)CCCCO*,0.3185 | |
| *CCCCCCCCC(=O)NCCCCCCNC(=O)CCCO*,0.286 | |
| *CCCCCCCCC(=O)NCCCCCOCCCCCNC(=O)CCCCO*,0.287 | |
| *CCCCCCCCC(=O)NCCCCCOCCCCCNC(=O)CCCO*,0.289 | |
| *CCCCCCCCCC#CC#CCCCCCCCCCOC(=O)CCCCCCCCC(=O)O*,0.307 | |
| *CCCCCCCCCCC(=O)NCCCCCC(=O)N*,0.296 | |
| *CCCCCCCCCCC(=O)NCCCCCCNC(=O)CCCCO*,0.3565 | |
| *CCCCCCCCCCC(=O)NCCCCCCNC(=O)CCCO*,0.3245 | |
| *CCCCCCCCCCC(=O)NCCCCCOCCCCCNC(=O)CCCCO*,0.3349999999999999 | |
| *CCCCCCCCCCC(=O)NCCCCCOCCCCCNC(=O)CCCO*,0.303 | |
| *CCCCCCCCCCC(=O)NCCc1ccc(CCNC(=O)CCCCCCCCCCS*)cc1,0.296 | |
| *CCCCCCCCCCC(=O)NCc1ccc(CNC(=O)CCCCCCCCCCS*)cc1,0.285 | |
| *CCCCCCCCCCC(Cl)C(*)Cl,0.316 | |
| *CCCCCCCCCCCC(=O)N*,0.3409999999999999 | |
| *CCCCCCCCCCCCC(=O)N*,0.33 | |
| *CCCCCCCCCCCCCCC(*)Cl,0.3735 | |
| *CCCCCCCCCCCCCCC(=O)N*,0.389 | |
| *CCCCCCCCCCCCCCC(=O)O*,0.3595 | |
| *CCCCCCCCCCCCCCCC(=O)O*,0.3954 | |
| *CCCCCCCCCCCCCCCCC(=O)N*,0.379 | |
| *CCCCCCCCCCCCCCCCCCCCC(*)COCCOCCOCCOCCOCCCCCC,0.39925 | |
| *CCCCCCCCCCCCCCCCCCCCC(*)COCCOCCOCCOCCOCCCCCCCCCCCCCC,0.38425 | |
| *CCCCCCCCCCCCCCCCCCCCC(*)Cl,0.468 | |
| *CCCCCCCCCCCCCCCCCCCCCC(=O)N*,0.4325 | |
| *CCCCCCCCCCCCCCCCCCCCCCOC(=O)CC(CC(=O)O*)c1ccccc1,0.354 | |
| *CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCC(=O)O*,0.387 | |
| *CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCC(=O)O*,0.376 | |
| *CCCCCCCCCCCCCCCCCCCCCCOC(=O)Cc1ccccc1CC(=O)O*,0.367 | |
| *CCCCCCCCCCCCCCCCCCCCOC(=O)C(=O)O*,0.3545 | |
| *CCCCCCCCCCCCCCCCCCCCOC(=O)CC(=O)O*,0.318 | |
| *CCCCCCCCCCCCCCCCCCCCOC(=O)CCC(=O)O*,0.362 | |
| *CCCCCCCCCCCCCCCCCCCCOC(=O)CCC(C)CC(=O)O*,0.362 | |
| *CCCCCCCCCCCCCCCCCCCCOC(=O)CCCC(=O)O*,0.302 | |
| *CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCC(=O)O*,0.3545 | |
| *CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCC(=O)O*,0.406 | |
| *CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC(=O)O*,0.3379999999999999 | |
| *CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCC(=O)O*,0.507 | |
| *CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)O*,0.276 | |
| *CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCS(=O)(=O)CCCCC(=O)O*,0.322 | |
| *CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCSCCCCC(=O)O*,0.322 | |
| *CCCCCCCCCCCCCCCCCCCCOC(=O)COCC(=O)O*,0.3249999999999999 | |
| *CCCCCCCCCCCCCCCCCCCCc1nnc(*)o1,0.398 | |
| *CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCC(=O)N*,0.369 | |
| *CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCC(=O)N*,0.4337499999999999 | |
| *CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCCCCCCCC(=O)N*,0.4533333333333333 | |
| *CCCCCCCCCCCCCCCCCCNC(=O)CCc1ccc(CCC(=O)N*)cc1,0.3755 | |
| *CCCCCCCCCCCCCCCCCCNC(=O)NCCCCCCCCCCNC(=O)N*,0.39 | |
| *CCCCCCCCCCCCCCCCCCNC(=O)NCCCCCCNC(=O)N*,0.383 | |
| *CCCCCCCCCCCCCCCCCCOC(=O)c1ccc(C(=O)O*)cc1,0.304 | |
| *CCCCCCCCCCCCCCCCCCOCO*,0.406 | |
| *CCCCCCCCCCCCCCCCOC(=O)C/C=C/CC(=O)O*,0.315 | |
| *CCCCCCCCCCCCCCCCOC(=O)CC/C=C/CCC(=O)O*,0.304 | |
| *CCCCCCCCCCCCCCCCOC(=O)CCCCCCC(=O)O*,0.308 | |
| *CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)O*,0.442 | |
| *CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC(=O)O*,0.297 | |
| *CCCCCCCCCCCCCCCCOC(=O)NCCCCCCCCCCNC(=O)O*,0.275 | |
| *CCCCCCCCCCCCCCCCOC(=O)NCCCCCCNC(=O)O*,0.348 | |
| *CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCC[N+](*)(C)C,0.408 | |
| *CCCCCCCCCCCCCCNC(=O)CCCCCCCCC(=O)N*,0.3944999999999999 | |
| *CCCCCCCCCCCCCCNC(=O)CCCCCCCCCCC(=O)N*,0.346 | |
| *CCCCCCCCCCCCCCNC(=O)CCCCCCCCCCCCCCCCC(=O)N*,0.4341428571428571 | |
| *CCCCCCCCCCCCCCNC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)N*,0.3915714285714285 | |
| *CCCCCCCCCCCCCCNC(=O)NCCCCCCCCCCNC(=O)N*,0.344 | |
| *CCCCCCCCCCCCCCNC(=O)NCCCCCCNC(=O)N*,0.4 | |
| *CCCCCCCCCCCCCCOC(=O)CC/C=C/CCC(=O)O*,0.318 | |
| *CCCCCCCCCCCCCCOC(=O)CCCCC(=O)O*,0.3555 | |
| *CCCCCCCCCCCCCCOC(=O)CCCCCCC(=O)O*,0.3165 | |
| *CCCCCCCCCCCCCCOC(=O)c1ccc(C(=O)NCCCCCCNC(=O)c2ccc(C(=O)O*)cc2)cc1,0.333 | |
| *CCCCCCCCCCCCCCOC(=O)c1ccc(C(=O)NCCCCCNC(=O)c2ccc(C(=O)O*)cc2)cc1,0.258 | |
| *CCCCCCCCCCCCCCOC(=O)c1ccc(C(=O)NCCNC(=O)c2ccc(C(=O)O*)cc2)cc1,0.274 | |
| *CCCCCCCCCCCCCCS*,0.34125 | |
| *CCCCCCCCCCCCCNC(=O)CCCCCCCCCCCC(=O)N*,0.3835 | |
| *CCCCCCCCCCCCNC(=O)C(=O)N*,0.309 | |
| *CCCCCCCCCCCCNC(=O)CCCCC(=O)N*,0.3745 | |
| *CCCCCCCCCCCCNC(=O)CCCCCCCCC(=O)N*,0.374 | |
| *CCCCCCCCCCCCNC(=O)CCCCCCCCCCCCC(=O)N*,0.3994999999999999 | |
| *CCCCCCCCCCCCNC(=O)CCCCCCCCCCCCCCC(=O)N*,0.396 | |
| *CCCCCCCCCCCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)N*,0.44 | |
| *CCCCCCCCCCCCNC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)N*,0.3944285714285714 | |
| *CCCCCCCCCCCCNC(=O)NCCCCCCNC(=O)N*,0.3545 | |
| *CCCCCCCCCCCCO*,0.4307499999999999 | |
| *CCCCCCCCCCCCOC(=O)CC/C=C/CCC(=O)O*,0.274 | |
| *CCCCCCCCCCCCOC(=O)CCCCC(=O)O*,0.292 | |
| *CCCCCCCCCCCCOC(=O)CCCCCCC(=O)O*,0.284 | |
| *CCCCCCCCCCCCOC(=O)CCCCCCCCCCC(=O)O*,0.297 | |
| *CCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC(=O)O*,0.294 | |
| *CCCCCCCCCCCCOC(=O)CCCCCNC(=O)CCCCC(=O)NCCCCCC(=O)O*,0.306 | |
| *CCCCCCCCCCCNC(=O)CCCCC(=O)N*,0.3295 | |
| *CCCCCCCCCCCNC(=O)CCCCCCCCC(=O)N*,0.314 | |
| *CCCCCCCCCCCNC(=O)CCCCCCCCC(=O)NCCCCCCCCCCCNC(=O)C(=O)N*,0.3195 | |
| *CCCCCCCCCCCNC(=O)CCCCCCCCCCC(=O)N*,0.389 | |
| *CCCCCCCCCCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)N*,0.37175 | |
| *CCCCCCCCCCCSCCCCCCCCCCS*,0.352 | |
| *CCCCCCCCCCCSCCCCCCS*,0.3145 | |
| *CCCCCCCCCCN/C(C)=N/*,0.298 | |
| *CCCCCCCCCCNC(=O)C(CCCCCCCCCCCC)C(=O)N*,0.35 | |
| *CCCCCCCCCCNC(=O)CC/C=C/CCC(=O)N*,0.3125 | |
| *CCCCCCCCCCNC(=O)CCCCCCC(=O)N*,0.422 | |
| *CCCCCCCCCCNC(=O)CCCCCCCCC(=O)N*,0.408 | |
| *CCCCCCCCCCNC(=O)CCCCCCCCC(=O)NCCCCCCCCCCNC(=O)C(=O)N*,0.4125 | |
| *CCCCCCCCCCNC(=O)CCCCCCCCCCCC(=O)N*,0.3685 | |
| *CCCCCCCCCCNC(=O)CCCCCCCCCCCCC(=O)N*,0.342 | |
| *CCCCCCCCCCNC(=O)CCCCCCCCCCCCCCC(=O)N*,0.368 | |
| *CCCCCCCCCCNC(=O)CCCCCCCCCCCCCCCCC(=O)N*,0.381 | |
| *CCCCCCCCCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)N*,0.3873333333333333 | |
| *CCCCCCCCCCNC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)N*,0.38825 | |
| *CCCCCCCCCCNC(=O)NCCCCCCCCNC(=O)N*,0.366 | |
| *CCCCCCCCCCO*,0.353 | |
| *CCCCCCCCCCOC(=O)CCC(=O)O*,0.285 | |
| *CCCCCCCCCCOC(=O)CCCC(=O)O*,0.263 | |
| *CCCCCCCCCCOC(=O)CCCCCCC(=O)O*,0.3445 | |
| *CCCCCCCCCCOC(=O)CCCCCCCC(=O)O*,0.3325 | |
| *CCCCCCCCCCOC(=O)CCCCCCCCC(=O)O*,0.281 | |
| *CCCCCCCCCCOC(=O)CCCCCCCCCCC(=O)O*,0.319 | |
| *CCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC(=O)O*,0.3415 | |
| *CCCCCCCCCCOC(=O)CCCCCNC(=O)CCCCC(=O)NCCCCCC(=O)O*,0.2955 | |
| *CCCCCCCCCCOC(=O)CCCCS(=O)(=O)CCCCC(=O)O*,0.278 | |
| *CCCCCCCCCCOC(=O)CCCCSCCCCC(=O)O*,0.27 | |
| *CCCCCCCCCCOC(=O)NCCCCCCCCCCNC(=O)O*,0.316 | |
| *CCCCCCCCCCOC(=O)c1ccc(C(=O)NCCCCCNC(=O)c2ccc(C(=O)O*)cc2)cc1,0.307 | |
| *CCCCCCCCCCOCCCCCCCCCCOCCCCCCO*,0.269 | |
| *CCCCCCCCCCOCCCCCCCCCCOCCCCCO*,0.38525 | |
| *CCCCCCCCCCOCCCCCCCCCCOCCCCO*,0.329 | |
| *CCCCCCCCCCOCCCCCCOCCCCCCO*,0.36175 | |
| *CCCCCCCCCCOCO*,0.297 | |
| *CCCCCCCCCCOc1ccc(OC(=O)c2ccc(OCCCCCCOc3ccc(C(=O)Oc4ccc(O*)cc4)cc3)cc2)cc1,0.344 | |
| *CCCCCCCCCCSCCCCCCS*,0.3305 | |
| *CCCCCCCCCCSCCCCS*,0.282 | |
| *CCCCCCCCCCSSCCCCCCSS*,0.2295 | |
| *CCCCCCCCCCc1ccc(-c2c(-c3ccccc3)cc(-c3cccc(-c4cc(-c5ccccc5)c(-c5ccc(*)cc5)c(-c5ccccc5)c4-c4ccccc4)c3)c(-c3ccccc3)c2-c2ccccc2)cc1,0.21 | |
| *CCCCCCCCCNC(=O)C(CCCCCCCCCCCC)C(=O)N*,0.347 | |
| *CCCCCCCCCNC(=O)CCCCCCCC(=O)N*,0.361 | |
| *CCCCCCCCCNC(=O)CCCCCCCCC(=O)N*,0.3485 | |
| *CCCCCCCCCNC(=O)CCCCCCCCC(=O)NCCCCCCCCCNC(=O)C(=O)N*,0.312 | |
| *CCCCCCCCCNC(=O)CCCCCCCCCC(=O)N*,0.312 | |
| *CCCCCCCCCNC(=O)CCCCCCCCCCCC(=O)N*,0.348 | |
| *CCCCCCCCCOC(=O)CCCCCCCC(=O)O*,0.294 | |
| *CCCCCCCCCOC(=O)c1ccc(C(=O)NCCCCCCNC(=O)c2ccc(C(=O)O*)cc2)cc1,0.259 | |
| *CCCCCCCCCOC(=O)c1ccc(C(=O)NCCCCCNC(=O)c2ccc(C(=O)O*)cc2)cc1,0.315 | |
| *CCCCCCCCCOCO*,0.277 | |
| *CCCCCCCCNC(=O)C(CCCCCCCCCCCC)C(=O)N*,0.331 | |
| *CCCCCCCCNC(=O)CCCCC(=O)N*,0.291 | |
| *CCCCCCCCNC(=O)CCCCCCCC(=O)N*,0.308 | |
| *CCCCCCCCNC(=O)CCCCCCCCC(=O)N*,0.392 | |
| *CCCCCCCCNC(=O)CCCCCCCCC(=O)NCCCCCCCCNC(=O)C(=O)N*,0.3315 | |
| *CCCCCCCCNC(=O)CCCCCCCCCCC(=O)N*,0.3463333333333334 | |
| *CCCCCCCCNC(=O)CCCCCCCCCCCCC(=O)N*,0.381 | |
| *CCCCCCCCNC(=O)CCCCCCCCCCCCCCC(=O)N*,0.355 | |
| *CCCCCCCCNC(=O)CCCCCCCCCCCCCCCCC(=O)N*,0.3725 | |
| *CCCCCCCCNC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)N*,0.425 | |
| *CCCCCCCCOC(=O)CCCCCNC(=O)CCCCC(=O)NCCCCCC(=O)O*,0.293 | |
| *CCCCCCCCOC(=O)CCCCCNC(=O)c1ccc(C(=O)NCCCCCC(=O)O*)cc1,0.276 | |
| *CCCCCCCCOC(=O)c1ccc(C(=O)NCCCCCCNC(=O)c2ccc(C(=O)O*)cc2)cc1,0.261 | |
| *CCCCCCCCSSCCCCSS*,0.192 | |
| *CCCCCCCCc1nnc(*)o1,0.324 | |
| *CCCCCCCNC(=O)C(CCCCCCCCCCCC)C(=O)N*,0.3455 | |
| *CCCCCCCNC(=O)CCCCC(=O)N*,0.323 | |
| *CCCCCCCNC(=O)CCCCCC(=O)N*,0.334 | |
| *CCCCCCCNC(=O)CCCCCCCCC(=O)N*,0.3235 | |
| *CCCCCCCNC(=O)CCCCCCCCCC(=O)N*,0.4065 | |
| *CCCCCCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)N*,0.4137499999999999 | |
| *CCCCCCN(C)C(=O)CCCCCCCCCCCCCCC(=O)N(*)C,0.33 | |
| *CCCCCCN(C)C(=O)CCCCCCCCCCCCCCCCC(=O)N(*)C,0.3525 | |
| *CCCCCCN(CC)C(=O)CCCCCCCCCCCCCCCCC(=O)N(*)CC,0.333 | |
| *CCCCCCNC(=O)C(CCCCCCCCCCCCC)C(=O)N*,0.2925 | |
| *CCCCCCNC(=O)C(CCCCCCCCCCCCCC)C(=O)N*,0.319 | |
| *CCCCCCNC(=O)C(CCCCCCCCCCCCCCC)C(=O)N*,0.3369999999999999 | |
| *CCCCCCNC(=O)C(CCCCCCCCCCCCCCCC)C(=O)N*,0.3235 | |
| *CCCCCCNC(=O)C(CCCCCCCCCCCCCCCCC)C(=O)N*,0.3505 | |
| *CCCCCCNC(=O)C(CCCCCCCCCCCCCCCCCC)C(=O)N*,0.354 | |
| *CCCCCCNC(=O)CC/C=C/CCC(=O)N*,0.278 | |
| *CCCCCCNC(=O)CCCCCC(=O)N*,0.278 | |
| *CCCCCCNC(=O)CCCCCCC(=O)N*,0.345 | |
| *CCCCCCNC(=O)CCCCCCCCCCCCC(=O)N*,0.355 | |
| *CCCCCCNC(=O)CCCCCCCCCCCCCCC(=O)N*,0.367 | |
| *CCCCCCNC(=O)CCCCCCCCCCCCCCCCC(=O)N*,0.3955 | |
| *CCCCCCNC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)N*,0.44 | |
| *CCCCCCNC(=O)N*,0.328 | |
| *CCCCCCOC(=O)CCCCSCCCCC(=O)O*,0.224 | |
| *CCCCCCOC(=O)OCCCCCCOC(=O)OCCCCCCOc1ccc(-c2ccc(O*)cc2)cc1,0.329 | |
| *CCCCCCOCO*,0.278 | |
| *CCCCCCSCCCCCS*,0.241 | |
| *CCCCCCSCCS*,0.234 | |
| *CCCCCCSSCCCCSS*,0.192 | |
| *CCCCCNC(=O)CCCCC(=O)N*,0.327 | |
| *CCCCCNC(=O)CCCCCCCC(=O)N*,0.301 | |
| *CCCCCNC(=O)CCCCCCCCCCCC(=O)N*,0.3545 | |
| *CCCCCNC(=O)CCCCCCCCCCCCC(=O)N*,0.3415 | |
| *CCCCCNC(=O)CCCCCCCCCCCCCCCCC(=O)N*,0.4165 | |
| *CCCCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)N*,0.3495 | |
| *CCCCCNC(=O)CCCCCCCCOCCCCCCCCC(=O)NCCCCCO*,0.267 | |
| *CCCCCNC(=O)CCCCCCOCCCCCCC(=O)NCCCCCO*,0.285 | |
| *CCCCCNC(=O)O*,0.268 | |
| *CCCCCOC(=O)CCCCCNC(=O)O*,0.317 | |
| *CCCCCOC(=O)CCCCSCCCCC(=O)O*,0.202 | |
| *CCCCCc1ccc(CCCCCOC(=O)c2ccc(C(=O)O*)cc2)cc1,0.276 | |
| *CCCCNC(=O)CC/C=C/CCC(=O)N*,0.258 | |
| *CCCCNC(=O)CCCCC(=O)N*,0.302 | |
| *CCCCNC(=O)CCCCCCC(=O)N*,0.2915 | |
| *CCCCNC(=O)CCCCCCCCC(=O)N*,0.355 | |
| *CCCCNC(=O)CCCCCCCCCC(=O)N*,0.3229999999999999 | |
| *CCCCNC(=O)CCCCCCCCCCC(=O)N*,0.332 | |
| *CCCCNC(=O)CCCCCCCCCCCCCCC(=O)N*,0.3735 | |
| *CCCCOC(=O)CCCCCCCC(=O)O*,0.241 | |
| *CCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O*,0.49475 | |
| *CCCCOC(=O)CCCCCNC(=O)CCCCC(=O)NCCCCCC(=O)O*,0.242 | |
| *CCCCOC(=O)c1ccc(-c2ccc(C(=O)O*)cc2)cc1,0.248 | |
| *CCCCOC(=O)c1cccc(-c2cccc(C(=O)O*)c2)c1,0.203 | |
| *CCCCOC(=O)c1ccccc1-c1ccccc1C(=O)O*,0.19 | |
| *CCCCSCCS*,0.226 | |
| *CCCCSS*,0.175 | |
| *CCCCSSCCCCO*,0.199 | |
| *CCCCSSCCCCOCO*,0.196 | |
| *CCCCSSCCCSS*,0.161 | |
| *CCCCc1ccc(CCCCOC(=O)c2ccc(C(=O)O*)cc2)cc1,0.241 | |
| *CCCN*,0.354 | |
| *CCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)N*,0.407 | |
| *CCCO*,0.296 | |
| *CCCOC(=O)C1CCC(C(=O)O*)CC1,0.222 | |
| *CCCOC(=O)CCCCCCCCCCCCCCCCC(=O)O*,0.364 | |
| *CCCc1ccc(CCCOC(=O)c2ccc(C(=O)O*)cc2)cc1,0.249 | |
| *CCN(*)C(=O)CCCCCCCCCCCCCC,0.309 | |
| *CCN(*)C(=O)CCCCCCCCCCCCCCC,0.3359999999999999 | |
| *CCN(*)C(=O)CCCCCCCCCCCCCCCCC,0.4005 | |
| *CCN*,0.351 | |
| *CCNC(=O)CCCCCCCCC(=O)N*,0.302 | |
| *CCNC(=O)CCCCCCCCCCCCCCC(=O)N*,0.412 | |
| *CCNC(=O)CCCCCCCCCCCCCCCCC(=O)N*,0.359 | |
| *CCOC(=O)CCCCSCCCCC(=O)O*,0.212 | |
| *CCOCCOC(=O)C(CCCCCCCCC)C(=O)O*,0.224 | |
| *CCOCCOC(=O)CCCCCCCCC(=O)O*,0.229 | |
| *CCOCCOC(=O)CCCCCCCCCCCCCCCCC(=O)O*,0.3485 | |
| *CCOCCOCCOC(=O)CCCCCCCC(=O)O*,0.267 | |
| *CCS*,0.223 | |
| *CCc1c2ccccc2c(*)c2ccccc12,0.166 | |
| *CCc1cc(*)c(C)cc1C,0.194 | |
| *CCc1ccc(*)c(C(=O)OC)c1,0.245 | |
| *CCc1ccc(*)c(C(C)=O)c1,0.217 | |
| *CCc1ccc(*)o1,0.2784999999999999 | |
| *CCc1ccc(*)s1,0.288 | |
| *CCc1ccc(CCNC(=O)CCCCCCCCCCCCCCCC(=O)N*)cc1,0.3515 | |
| *CCc1ccc(CCNC(=O)CCCCCCCCCCCCCCCCC(=O)N*)cc1,0.368 | |
| *CCc1ccc(CCNC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)N*)cc1,0.3195 | |
| *CCc1ccc(CCOC(=O)CCc2ccc(CCC(=O)O*)cc2)cc1,0.319 | |
| *CCc1ccc(CCOC(=O)c2ccc(C(=O)O*)cc2)cc1,0.23 | |
| *CO*,0.246 | |
| *CS*,0.172 | |
| *Cc1ccc(*)cc1,0.267 | |
| *Cc1ccc(CNC(=O)CCCCCCCCCCCCCCCCC(=O)N*)cc1,0.3299999999999999 | |
| *Cc1ccc(CNC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)N*)cc1,0.359 | |
| *Cc1ccc2nc(-c3cc(-c4nc5ccc(*)cc5c(=O)o4)cc(N4C(=O)c5ccccc5C4=O)c3)oc(=O)c2c1,0.227 | |
| *N1C(=O)C2=C(C=C(C=C2)C2=CC=C3C(=O)N(C(=O)C3=C2)C2=C3C=CC=C(*)C3=CC=C2)C1=O,0.314 | |
| *Nc1ccc(*)cc1CCCCCCCCCCCCCCC,0.314 | |
| *Nc1ccc(*)cc1OCCCCCCCCCCCCCCCC,0.3671666666666667 | |
| *OC(*)C(Cl)(Cl)Cl,0.066 | |
| *OC(*)CCC#N,0.1704999999999999 | |
| *OC(=O)C(Cc1ccccc1)NC(=O)CCCCCCCCCCC(=O)NC(Cc1ccccc1)C(=O)OC1COC2C(*)COC12,0.222 | |
| *OC(=O)CCCCCC(*)=O,0.237 | |
| *OC(C)COC(=O)CCCCSCCCCC(*)=O,0.214 | |
| *OC1CCCCC1*,0.1694999999999999 | |
| *ON(C(F)(F)F)C(F)(F)C(*)(F)F,0.0905 | |
| *OS(=O)(=O)c1cccc(S(=O)(=O)Oc2ccc(C3(c4ccc(*)cc4)CCCCC3)cc2)c1,0.151 | |
| *Oc1c(C)cc(*)cc1-c1ccccc1,0.1935 | |
| *Oc1c(Cl)cc(C2(c3cc(Cl)c(OC(*)=O)c(Cl)c3)CCCCC2)cc1Cl,0.109 | |
| *Oc1cc(CCC)cc(OC(=O)c2cccc(C(*)=O)c2)c1,0.234 | |
| *Oc1ccc(-c2ccc(-c3cc(-c4ccccc4)c(-c4ccc(-c5ccc(OC(=O)c6ccc(C(*)=O)cc6-c6ccccc6)cc5)cc4)c(-c4ccccc4)c3-c3ccccc3)cc2)cc1,0.315 | |
| *Oc1ccc(/C=N/c2ccc(/N=C/c3ccc(OC(=O)CCCCC(*)=O)c(OC)c3)cc2)cc1OC,0.283 | |
| *Oc1ccc(/C=N/c2ccc(/N=C/c3ccc(OC(=O)CCCCCCCCC(*)=O)c(OC)c3)cc2)cc1OC,0.274 | |
| *Oc1ccc(/C=N/c2ccc(/N=C/c3ccc(OC(=O)c4cccc(C(*)=O)c4)c(OC)c3)cc2)cc1OC,0.37 | |
| *Oc1ccc(/N=C/C=N/c2ccc(OC(=O)NC3CC(C)(C)CC(C)(CNC(*)=O)C3)cc2)cc1,0.349 | |
| *Oc1ccc(/N=C/C=N/c2ccc(OC(=O)NCCCCCCNC(*)=O)cc2)cc1,0.325 | |
| *Oc1ccc(/N=C/C=N/c2ccc(OC(=O)Nc3cc(NC(*)=O)ccc3C)cc2)cc1,0.297 | |
| *Oc1ccc(/N=C/C=N/c2ccc(OC(=O)Nc3ccc(Cc4ccc(NC(*)=O)cc4)cc3)cc2)cc1,0.417 | |
| *Oc1ccc(/N=C/CCC/C=N/c2ccc(OC(=O)NC3CC(C)(C)CC(C)(CNC(*)=O)C3)cc2)cc1,0.207 | |
| *Oc1ccc(/N=C/CCC/C=N/c2ccc(OC(=O)NCCCCCCNC(*)=O)cc2)cc1,0.294 | |
| *Oc1ccc(/N=C/CCC/C=N/c2ccc(OC(=O)Nc3cc(NC(*)=O)ccc3C)cc2)cc1,0.252 | |
| *Oc1ccc(/N=C/CCC/C=N/c2ccc(OC(=O)Nc3ccc(Cc4ccc(NC(*)=O)cc4)cc3)cc2)cc1,0.326 | |
| *Oc1ccc(C(C)(C)c2ccc(OC(*)=O)cc2)cc1,0.2385 | |
| *Oc1ccc(C(C)(C)c2ccc(OC(=O)CN(CC(*)=O)c3ccc(/N=N/c4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1,0.244 | |
| *Oc1ccc(C(C)(C)c2ccc(Oc3ccc(C(=O)Nc4ccc(-c5ccc(NC(=O)c6ccc(*)cc6)cc5C(F)(F)F)c(C(F)(F)F)c4)cc3)cc2)cc1,0.2685 | |
| *Oc1ccc(C(C)(c2ccccc2)c2ccc(OC(*)=O)cc2)cc1,0.206 | |
| *Oc1ccc(C(CCC)(CCC)c2ccc(OC(*)=O)cc2)cc1,0.219 | |
| *Oc1ccc(C2(c3ccc(OC(*)=O)c(C)c3)CCCCC2)cc1C,0.183 | |
| *Oc1ccc(C2(c3ccc(OC(*)=O)c(Cl)c3)CCCCC2)cc1Cl,0.165 | |
| *Oc1ccc(C2(c3ccc(OC(*)=O)cc3)CCCC2)cc1,0.241 | |
| *Oc1ccc(C2(c3ccc(OC(*)=O)cc3)CCCCC2)cc1,0.185 | |
| *Oc1ccc(C2(c3ccc(OC(*)=O)cc3)c3ccccc3-c3ccccc32)cc1,0.235 | |
| *Oc1ccc(NC(=O)CCCCCCCCCC(=O)Nc2ccc(*)cc2)cc1,0.3745 | |
| *Oc1ccc(OC(=O)CCCCCCCCC(*)=O)cc1,0.257 | |
| *Oc1ccc(Oc2ccc(C(=O)c3ccccc3-c3ccccc3C(=O)c3ccc(*)cc3)cc2)cc1,0.2205 | |
| *Oc1ccc(S(=O)(=O)c2ccc(*)cc2)cc1,0.268 | |
| *Oc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(*)cc4)cc3)cc2)cc1,0.204 | |
| *Oc1cccc(NC(=O)CCCCCCCCCCC(=O)Nc2ccc(*)cc2)c1,0.319 | |
| *Oc1cccc(OC(=O)c2ccc(C(C)(C)c3ccc(C(*)=O)cc3)cc2)c1,0.222 | |
| *Oc1cccc(Oc2ccc(C(=O)Nc3ccc(Oc4ccc(NC(=O)c5ccc(*)cc5)cc4)cc3)cc2)c1C#N,0.296 | |
| *SC(*)(F)F,0.114 | |
| *Sc1c(C)cc(*)cc1C,0.145 | |
| *\N=C\c1ccc(C=Nc2c(cc(cc2-c2ccccc2)-c2ccc(cc2)-c2cc(-c3ccccc3)c(*)c(c2)-c2ccccc2)-c2ccccc2)cc1,0.219 | |
| *c1[nH]c(*)c(CC(=O)OCCCCCCCCCCCC)c1CC(=O)OCCCCCCCCCCCC,0.2794999999999999 | |
| *c1c(*)c2ccccc2c2ccccc12,0.091 | |
| *c1c(-c2ccccc2)c(-c2ccccc2)c(*)c2cc(-c3ccc(C#Cc4ccccc4)c(C#Cc4ccccc4)c3)ccc12,0.224 | |
| *c1c(-c2ccccc2)c(-c2ccccc2)c(*)c2cc(C(c3ccc(C#Cc4ccccc4)c(C#Cc4ccccc4)c3)(C(F)(F)F)C(F)(F)F)ccc12,0.103 | |
| *c1c(-c2ccccc2)c(-c2ccccc2)c(*)c2cc(Oc3ccc(C#Cc4ccccc4)c(C#Cc4ccccc4)c3)ccc12,0.16 | |
| *c1cc(*)c(O)c(/C=N/c2ccc(Cl)cc2)c1,0.141 | |
| *c1cc(*)c(O)c(/C=N/c2ccc(N3CCOCC3)cc2)c1,0.266 | |
| *c1cc(-c2sc(-c3cc(CCCCCCCCCCCCCC)c(*)s3)cc2CCCCCCCCCCCCCC)c2cccccc1-2,0.316 | |
| *c1cc(/C=N/c2ccc(C)cc2)c(*)c(OC)c1,0.215 | |
| *c1cc(/C=N/c2cccc(C)c2)cc(*)c1O,0.192 | |
| *c1cc(CCCCCCCCCCCC)c(*)cc1CCCCCCCCCCCC,0.356 | |
| *c1cc(CCCCCCCCCCCCC)c(*)s1,0.40475 | |
| *c1cc(CCCCCCCCCCCCCC)c(*)s1,0.4182499999999999 | |
| *c1cc(CCCCCCCCCCCCCCC)c(*)s1,0.3742499999999999 | |
| *c1cc(CCCCCCCCCCCCCCCC)c(*)[nH]1,0.4075 | |
| *c1cc(CCCCCCCCCCCCCCCC)c(*)s1,0.381 | |
| *c1cc(CCCCCCCCCCCCCCCCC)c(*)s1,0.396 | |
| *c1cc(CCCCCCCCCCCCCCCCCC)c(*)s1,0.36525 | |
| *c1cc(CCCCCCCCCCCCCCCCCCC)c(*)s1,0.34 | |
| *c1cc(CCCCCCCCCCCCCCCCCCCCCC)c(*)s1,0.39725 | |
| *c1cc(O)c(O)cc1*,0.183 | |
| *c1cc(OCCCCCCCCCC)c(*)cc1OCCCCCCCCCC,0.256 | |
| *c1cc(OCCCCCCCCCCCC)c(*)cc1O,0.309 | |
| *c1cc2cccccc-2c1*,0.163 | |
| *c1ccc(*)c2ccccc12,0.571 | |
| *c1ccc(-c2cc(-c3ccc(OCCCCCC)cc3)cc(-c3ccc(-c4ccc5c(c4)C(CCCCCC)(CCCCCC)c4cc(*)ccc4-5)cc3)c2-c2ccc(OCCCCCC)cc2)cc1,0.29 | |
| *c1ccc(-c2ccc(-c3ccc(C(*)(CC)C(F)(F)F)cc3)cc2)cc1,0.236 | |
| *c1ccc(-c2ccc(-c3ccc(C(*)(c4c(F)c(F)c(F)c(F)c4F)C(F)(F)F)cc3)cc2)cc1,0.172 | |
| *c1ccc(-c2ccc(-c3ccc(C(*)(c4ccc(F)cc4)C(F)(F)F)cc3)cc2)cc1,0.22 | |
| *c1ccc(-c2ccc(-c3ccc(C(*)(c4ccccc4)C(F)(F)F)cc3)cc2)cc1,0.278 | |
| *c1ccc(-c2ccc(-c3ccc(C(*)c4c(F)c(F)c(F)c(F)c4F)cc3)cc2)cc1,0.291 | |
| *c1ccc(-c2ccc(-c3sc(*)c(CCCCCCCCCCCC)c3CCCCCCCCCCCC)s2)s1,0.299 | |
| *c1ccc(-c2ccc(C(*)(C)C(F)(F)F)cc2)cc1,0.194 | |
| *c1ccc(-c2ccc(C(*)(C)C)cc2)cc1,0.247 | |
| *c1ccc(-c2ccc(C(*)(c3ccc(F)cc3)C(F)(F)F)cc2)cc1,0.185 | |
| *c1ccc(-c2ccc(C(*)(c3ccccc3)C(F)(F)F)cc2)cc1,0.233 | |
| *c1ccc(-c2ccc(C3(*)CCCCC3)cc2)cc1,0.252 | |
| *c1ccc(-c2ccc(C3(*)c4ccccc4-c4ccccc43)cc2)cc1,0.203 | |
| *c1ccc(-c2ccc3c(c2)C(CCCCCC)(CCCCCC)c2cc(*)ccc2-3)cc1,0.376 | |
| *c1ccc(-c2ccc3c(c2)C(CCCCCCBr)(CCCCCCBr)c2cc(*)ccc2-3)cc1,0.236 | |
| *c1ccc(-c2ccc3c(c2)C(CCCCCCC#N)(CCCCCCC#N)c2cc(*)ccc2-3)cc1,0.487 | |
| *c1ccc(-c2nc3ccc(Oc4ccc5nc(*)c(-c6ccccc6)c(-c6ccccc6)c5c4)cc3c(-c3ccccc3)c2-c2ccccc2)cc1,0.27 | |
| *c1ccc(-c2nnc(-c3cccc(-c4nnc(*)n4-c4ccccc4)c3)n2-c2ccccc2)cc1,0.389 | |
| *c1ccc(-c2sc(-c3cc(CCCCCCCCCCCC)c(*)s3)cc2CCCCCCCCCCCC)cc1,0.413 | |
| *c1ccc(-c2sc(-c3cc(CCCCCCCCCCCC)c(*)s3)cc2CCCCCCCCCCCC)s1,0.34 | |
| *c1ccc(-c2sc(-c3cc(SCCCCCCCCCCCC)c(*)s3)cc2SCCCCCCCCCCCC)cc1,0.349 | |
| *c1ccc(C(Cl)(Cl)C(*)Cl)cc1,0.115 | |
| *c1ccc(C(F)(F)C(*)(F)F)cc1,0.101 | |
| *c1ccc(C2C(C#N)(C(=O)OCCC)C(*)C2(C#N)C(=O)OCCC)cc1,0.258 | |
| *c1ccc(C2C(C(=O)Oc3ccccc3)C(*)C2C(=O)Oc2ccccc2)cc1,0.225 | |
| *c1ccc(N2C(=O)c3ccc(-c4cccc5c4C(=O)N(*)C5=O)cc3C2=O)cc1,0.233 | |
| *c1ccc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4ccc(-c6nc7cc(-c8ccc9nc(-c%10ccccc%10)c(*)nc9c8)ccc7nc6-c6ccccc6)cc4)C5=O)cc3C2=O)cc1,0.224 | |
| *c1ccc(NC(=O)Nc2ccc(NC(=O)Nc3ccc(-c4nc(-c5ccc([N+](=O)[O-])cc5)[nH]c4*)cc3)cc2)cc1,0.269 | |
| *c1ccc(Oc2ccc(-c3csc(/N=C/c4ccc(OCCCCCCCCCCOc5ccc(/C=N/c6nc(*)cs6)cc5OC)c(OC)c4)n3)cc2)cc1,0.383 | |
| *c1ccc(Oc2ccc(-c3csc(/N=C/c4ccc(OCCCCCCCCOc5ccc(/C=N/c6nc(*)cs6)cc5OC)c(OC)c4)n3)cc2)cc1,0.228 | |
| *c1ccc(Oc2ccc(-c3csc(/N=C/c4ccc(OCCCCCCOc5ccc(/C=N/c6nc(*)cs6)cc5OC)c(OC)c4)n3)cc2)cc1,0.253 | |
| *c1ccc(Oc2ccc(-c3csc(/N=C/c4ccc(OCCCCOc5ccc(/C=N/c6nc(*)cs6)cc5OC)c(OC)c4)n3)cc2)cc1,0.218 | |
| *c1ccc(Oc2ccc(-c3csc(/N=C/c4ccc(OCCOc5ccc(/C=N/c6nc(*)cs6)cc5OC)c(OC)c4)n3)cc2)cc1,0.243 | |
| *c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(-n5c(=O)c6cc7c(=O)n(*)c(=O)c7cc6c5=O)cc4C(F)(F)F)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(C(F)(F)F)c1,0.213 | |
| *c1ccc(Oc2cccc(Oc3ccc(N4C(=O)c5cccc(Oc6cccc(Oc7cccc8c7C(=O)N(*)C8=O)c6)c5C4=O)cc3)c2)cc1,0.165 | |
| *c1ccc(Sc2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)cc1,0.252 | |
| *c1ccc2c(c1)C(=O)N(c1cc(OCCN(CC)c3ccc(/N=N/c4ccc([N+](=O)[O-])cc4)cc3)cc(N3C(=O)c4ccc(C(*)(C(F)(F)F)C(F)(F)F)cc4C3=O)c1)C2=O,0.154 | |
| *c1ccc2c(c1)C(=O)N(c1ccc(C(c3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)(C(F)(F)F)C(F)(F)F)cc1)C2=O,0.151 | |
| *c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(C(c4ccc(Oc5ccc(N6C(=O)c7ccc(C(*)(C(F)(F)F)C(F)(F)F)cc7C6=O)cc5C(F)(F)F)cc4)(C(F)(F)F)C(F)(F)F)cc3)c(C(F)(F)F)c1)C2=O,0.152 | |
| *c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)cc1)C2=O,0.165 | |
| *c1ccc2c(c1)C(=O)N(c1cccc(C(c3cccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c3)(C(F)(F)F)C(F)(F)F)c1)C2=O,0.111 | |
| *c1ccc2c(c1)C(CCCCCC)(CCCCCC)c1cc(-c3cc(CCCCCC)c(*)cc3CCCCCC)ccc1-2,0.46 | |
| *c1ccc2c(c1)C(CCCCCC)(CCCCCC)c1cc(-c3cc(CCCCCCCC)c(*)cc3CCCCCCCC)ccc1-2,0.349 | |
| *c1ccc2c(c1)C(CCCCCC)(CCCCCC)c1cc(-c3cc(CCCCCCCCCC)c(*)cc3CCCCCCCCCC)ccc1-2,0.216 | |
| *c1ccc2c(c1)C(CCCCCC)(CCCCCC)c1cc(-c3cc(OCCCCCCCC)c(*)cc3OCCCCCCCC)ccc1-2,0.291 | |
| *c1ccc2c(c1)C(CCCCCC)(CCCCCC)c1cc(-c3cc(OCc4ccccc4)c(*)cc3OCc3ccccc3)ccc1-2,0.184 | |
| *c1ccc2c(c1)SC1=Nc3cc(-c4ccc5c(c4)N=C4Sc6cc(*)ccc6N=C4N5)ccc3NC1=N2,0.506 | |
| *c1ccc2cc(*)ccc2c1,1.59 | |
| *c1ccc2ccc(*)cc2c1,0.221 | |
| *c1ccc2ccc3c(*)cc(C#C)c4ccc1c2c34,0.582 | |
| *c1ccc2ccc3c(*)cc(C#CC=C)c4ccc1c2c34,0.429 | |
| *c1cccc(-c2nc3ccc(-c4ccc5oc(*)nc5c4)cc3o2)c1,0.3795 | |
| *c1cccc2c(*)cccc12,0.685 | |
| *c1nc(-c2ccccc2)nc(N(c2ccccc2)c2ncnc(N(*)c3ccccc3)n2)n1,0.185 | |
| *c1nc(C)nc(N(CCCCCCN(*)c2ccccc2)c2ccccc2)n1,0.21 | |
| *c1nc2cc(-c3ccc4[nH]c(-c5ccc(*)o5)nc4c3)ccc2[nH]1,0.446 | |
| *c1nc2cc3sc(-c4cc(OCCCCCCCCCCCC)c(*)cc4OCCCCCCCCCCCC)nc3cc2s1,0.3647499999999999 | |
| *c1sc(*)c(OCCCCCCCCCCCC)c1C,0.37875 | |
| *c1sc(*)c(OCCCCCCCCCCCCCC)c1C,0.43675 | |
| *c1sc(*)c(OCCCCCCCCCCCCCCCC)c1C,0.388 | |
| *c1sc(*)c(OCCCCCCCCCCCCCCCCCCCC)c1C,0.3747499999999999 | |
| *c1sc(*)c2c1OCC(CCCCCCCCCCCCCCCC)O2,0.44475 | |
| *c1sc(*)c2sc(CCCCCCCCC)nc12,0.482 | |
| *c1sc(-c2cc(CCCCCCCCCC)c(*)s2)cc1CCCCCCCCCC,0.307 | |
| CC1(C)CC(CC(C)(C*)C1)N1C(=O)C2=CC=C(C=C2C1=O)C1=CC2=C(C=C1)C(=O)N(*)C2=O,0.231 | |
| CCNC(=O)OCCCCC(*)=C=C=C(*)CCCCOC(=O)NCC,0.26 | |
| Cc1ccc(cc1)S(=O)(=O)OCCCCC(*)=C=C=C(*)CCCCOS(=O)(=O)c1ccc(C)cc1,0.21 | |
| FC(F)(F)C(C1=CC2=C(OC(=N2)C2=CC=C(OC3=C4C5C6=C(C=CC=C6)C(C6=C5C=CC=C6)C4=C(OC4=CC=C(*)C=C4)C4=C3C3C5=C(C=CC=C5)C4C4=C3C=CC=C4)C=C2)C=C1)(C1=CC=C2OC(*)=NC2=C1)C(F)(F)F,0.109 | |
| FC(F)(F)C(C1=CC2=C(OC(=N2)C2=CC=C(OC3=C4C5C6=C(C=CC=C6)C(C6=C5C=CC=C6)C4=C(OC4=CC=C(*)C=C4)C=C3)C=C2)C=C1)(C1=CC=C2OC(*)=NC2=C1)C(F)(F)F,0.176 | |
| FC(F)(F)C(C1=CC2=C(OC(=N2)C2=CC=C(OC3=CC=C(OC4=CC=C(*)C=C4)C4=C3C3C5=C(C=CC=C5)C4C4=C3C=CC=C4)C=C2)C=C1)(C1=CC=C2OC(*)=NC2=C1)C(F)(F)F,0.155 | |