| SMILES,label | |
| CN(C)C(=O)c1ccc(cc1)OC,-11.01 | |
| CS(=O)(=O)Cl,-4.87 | |
| CC(C)C=C,1.83 | |
| CCc1cnccn1,-5.45 | |
| CCCCCCCO,-4.21 | |
| Cc1cc(cc(c1)O)C,-6.27 | |
| CC(C)C(C)C,2.34 | |
| CCCC(C)(C)O,-3.92 | |
| C[C@@H]1CCCC[C@@H]1C,1.58 | |
| CC[C@H](C)O,-4.62 | |
| C(Br)Br,-1.96 | |
| CC[C@H](C(C)C)O,-3.88 | |
| CCc1ccccn1,-4.33 | |
| CCCCC(=O)OCC,-2.49 | |
| c1ccc(cc1)S,-2.55 | |
| CC(=CCC/C(=C\CO)/C)C,-4.78 | |
| c1ccc2c(c1)CCC2,-1.46 | |
| CCOc1ccccc1,-2.22 | |
| c1cc(ccc1O)Br,-5.85 | |
| CCCC(C)(C)C,2.88 | |
| CC(=O)OCCOC(=O)C,-6.34 | |
| CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,-6.1 | |
| C1CCCC(CC1)O,-5.48 | |
| COC(=O)C1CC1,-4.1 | |
| c1ccc(cc1)C#N,-4.1 | |
| CCCCC#N,-3.52 | |
| CC(C)(C)O,-4.47 | |
| CC(C)C(=O)C(C)C,-2.74 | |
| CCC=O,-3.43 | |
| CN(C)C=O,-7.81 | |
| Cc1ccc(cc1)C,-0.8 | |
| C=CCC=C,0.93 | |
| Cc1cccc(c1C)Nc2ccccc2C(=O)O,-6.78 | |
| CN(C)C(=O)c1ccccc1,-9.29 | |
| CCNCC,-4.07 | |
| CC(C)(C)c1ccc(cc1)O,-5.91 | |
| CC(C)CCOC=O,-2.13 | |
| CCCCCCCCCCO,-3.64 | |
| CCC(=O)OCC,-2.68 | |
| CCCCCCCCC,3.13 | |
| CC(=O)NC,-10 | |
| CCCCCCCC=C,2.06 | |
| c1ccc2cc(ccc2c1)O,-8.11 | |
| c1cc(c(cc1Cl)Cl)Cl,-1.12 | |
| C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O,-23.62 | |
| CCCC(=O)OC,-2.83 | |
| c1ccc(c(c1)C=O)O,-4.68 | |
| C1CNC1,-5.56 | |
| CCCNCCC,-3.65 | |
| c1ccc(cc1)N,-5.49 | |
| C(F)(F)(F)F,3.12 | |
| CC[C@@H](C)CO,-4.42 | |
| c1ccc(c(c1)O)I,-6.2 | |
| COc1cccc(c1O)OC,-6.96 | |
| CCC#C,-0.16 | |
| c1ccc(cc1)C(F)(F)F,-0.25 | |
| NN,-9.3 | |
| Cc1ccccn1,-4.63 | |
| CCNc1nc(nc(n1)Cl)NCC,-10.22 | |
| c1ccc2c(c1)Oc3cc(c(cc3O2)Cl)Cl,-3.56 | |
| CCCCCCCCN,-3.65 | |
| N,-4.29 | |
| c1ccc(c(c1)C(F)(F)F)C(F)(F)F,1.07 | |
| COC(=O)c1ccc(cc1)O,-9.51 | |
| CCCCCc1ccccc1,-0.23 | |
| CC(F)F,-0.11 | |
| c1ccc(cc1)n2c(=O)c(c(cn2)N)Cl,-16.43 | |
| C=CC=C,0.56 | |
| CN(C)C,-3.2 | |
| CCCCCC(=O)N,-9.31 | |
| CC(C)CO[N+](=O)[O-],-1.88 | |
| c1ccc2c(c1)C(=O)c3cccc(c3C2=O)NCCO,-14.21 | |
| C(CO[N+](=O)[O-])O,-8.18 | |
| CCCCCCC(=O)C,-2.88 | |
| CN1CCNCC1,-7.77 | |
| CCN,-4.5 | |
| C1C=CC=CC=C1,-0.99 | |
| c1ccc2c(c1)Cc3ccccc3C2,-3.78 | |
| CC(Cl)Cl,-0.84 | |
| COc1cccc(c1)O,-7.66 | |
| c1cc2cccc3c2c(c1)CC3,-3.15 | |
| CCCCCCCCBr,0.52 | |
| c1ccc(cc1)CO,-6.62 | |
| c1c(c(=O)[nH]c(=O)[nH]1)Br,-18.17 | |
| CCCC,2.1 | |
| CCl,-0.55 | |
| CC(C)CBr,-0.03 | |
| CC(C)SC(C)C,-1.21 | |
| CCCCCCC,2.67 | |
| c1cnc[nH]1,-9.63 | |
| c1cc2c(cc1Cl)Oc3cc(c(c(c3O2)Cl)Cl)Cl,-3.84 | |
| CC[C@H](C)n1c(=O)c(c([nH]c1=O)C)Br,-9.73 | |
| C(I)I,-2.49 | |
| CCCN(CCC)C(=O)SCCC,-4.13 | |
| C[N+](=O)[O-],-4.02 | |
| CCOC,-2.1 | |
| COC(CCl)(OC)OC,-4.59 | |
| CC(C)C,2.3 | |
| CC(C)CC(=O)O,-6.09 | |
| CCOP(=O)(OCC)O/C(=C/Cl)/c1ccc(cc1Cl)Cl,-7.07 | |
| CCCCl,-0.33 | |
| CCCSCCC,-1.28 | |
| CCC[C@H](CC)O,-4.06 | |
| CC#N,-3.88 | |
| CN(CC(F)(F)F)c1ccccc1,-1.92 | |
| [C@@H](C(F)(F)F)(OC(F)F)Cl,0.1 | |
| C=CCCC=C,1.01 | |
| Cc1cccc(c1)C,-0.83 | |
| CC(=O)OC,-3.13 | |
| COC(c1ccccc1)(OC)OC,-4.04 | |
| CCOC(=O)c1ccccc1,-3.64 | |
| CCCS,-1.1 | |
| CCCCCC(=O)C,-3.04 | |
| CC1(Cc2cccc(c2O1)OC(=O)NC)C,-9.61 | |
| c1ccc(cc1)CBr,-2.38 | |
| CCCCCC(=O)OCC,-2.23 | |
| CCCOC,-1.66 | |
| CN1CCOCC1,-6.32 | |
| c1cc(cc(c1)O)C#N,-9.65 | |
| c1cc(c(cc1c2c(c(cc(c2Cl)Cl)Cl)Cl)Cl)Cl,-4.38 | |
| CCCc1ccccc1,-0.53 | |
| Cn1cnc2c1c(=O)n(c(=O)n2C)C,-12.64 | |
| CNC,-4.29 | |
| C(=C(F)F)(C(F)(F)F)F,2.93 | |
| c1cc(ccc1O)Cl,-7.03 | |
| C1CCNCC1,-5.11 | |
| c1ccc2c(c1)ccc3c2cccc3,-3.88 | |
| CI,-0.89 | |
| COc1c(cc(c(c1O)OC)Cl)Cl,-6.44 | |
| C(=C/Cl)\Cl,-0.78 | |
| CCCCC,2.3 | |
| CCCC#N,-3.64 | |
| [C@@H](C(F)(F)F)(F)Br,0.5 | |
| CC(C)Cc1cnccn1,-5.04 | |
| CC[C@H](C)O[N+](=O)[O-],-1.82 | |
| c1ccc(cc1)c2cc(ccc2Cl)Cl,-2.46 | |
| c1ccc(cc1)c2cc(c(c(c2Cl)Cl)Cl)Cl,-3.48 | |
| CC[C@@H](C)C(C)C,2.52 | |
| C[C@H](CC(C)C)O,-3.73 | |
| C1CCOCC1,-3.12 | |
| C1CC1,0.75 | |
| c1c(cc(c(c1Cl)Cl)Cl)c2cc(c(c(c2Cl)Cl)Cl)Cl,-3.17 | |
| C=C(Cl)Cl,0.25 | |
| CC(C)CO,-4.5 | |
| CCCOC(=O)CC,-2.44 | |
| C(C(Cl)(Cl)Cl)(Cl)(Cl)Cl,-0.64 | |
| CSc1ccccc1,-2.73 | |
| CCc1ccccc1O,-5.66 | |
| CC(C)(C)Cl,1.09 | |
| CC(=C)C=C,0.68 | |
| Cc1ccc(cc1)C(C)C,-0.68 | |
| Cn1ccnc1,-8.41 | |
| C(CO)O,-9.3 | |
| c1ccc(c(c1)Cl)Cl,-1.36 | |
| c1c(=O)[nH]c(=O)[nH]c1Cl,-15.83 | |
| CCCOC=O,-2.48 | |
| c1ccc2c(c1)Oc3ccc(cc3O2)Cl,-3.1 | |
| CCCCCC(=O)O,-6.21 | |
| CCOC(=O)CCC(=O)OCC,-5.71 | |
| Cc1ccnc(c1)C,-4.86 | |
| C1CCC=CC1,0.14 | |
| CN1CCN(CC1)C,-7.58 | |
| c1cc(c(cc1c2cc(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl,-3.04 | |
| C1=CC(=O)C=CC1=O,-6.5 | |
| COC(=O)CCl,-4 | |
| CCCC=O,-3.18 | |
| CCc1ccccc1,-0.79 | |
| C(=C(Cl)Cl)Cl,-0.44 | |
| CCN(CC)CC,-3.22 | |
| c1cc2c(cc1Cl)Oc3c(c(c(c(c3Cl)Cl)Cl)Cl)O2,-4.15 | |
| Cc1ccncc1C,-5.22 | |
| c1(=O)[nH]c(=O)[nH]c(=O)[nH]1,-18.06 | |
| c1ccc(cc1)C=O,-4.02 | |
| c1ccnc(c1)Cl,-4.39 | |
| C=CCCl,-0.57 | |
| Cc1ccc(cc1)C(=O)C,-4.7 | |
| C=O,-2.75 | |
| Cc1ccccc1Cl,-1.14 | |
| CC(=O)N1CCCC1,-9.8 | |
| CC(OC)(OC)OC,-4.42 | |
| CCCCc1ccccc1,-0.4 | |
| CN(C)c1ccccc1,-3.45 | |
| CC(C)OC,-2.01 | |
| c12c(c(c(c(c1Cl)Cl)Cl)Cl)Oc3c(c(c(c(c3Cl)Cl)Cl)Cl)O2,-4.53 | |
| c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c2c(c(c(c(c2Cl)Cl)Cl)Cl)Cl,-2.98 | |
| C(C(Cl)Cl)Cl,-1.99 | |
| CNc1ccccc1,-4.69 | |
| CC(C)OC(=O)C,-2.64 | |
| c1ccccc1,-0.9 | |
| c1cc(c(c(c1)Cl)Cl)Cl,-1.24 | |
| CCOP(=S)(OCC)SCSc1ccc(cc1)Cl,-6.5 | |
| COP(=S)(OC)SCn1c(=O)c2ccccc2nn1,-10.03 | |
| c1ccc2c(c1)Oc3c(cc(c(c3O2)Cl)Cl)Cl,-4.05 | |
| CC(=C)C(=C)C,0.4 | |
| CCCCC=C,1.58 | |
| S,-0.7 | |
| CCOCC,-1.59 | |
| CCNc1nc(nc(n1)SC)NC(C)C,-7.65 | |
| CCCCOC(=O)c1ccc(cc1)O,-8.72 | |
| CCCCCCOC(=O)C,-2.26 | |
| C1CCC(=O)C1,-4.7 | |
| CCCCC(=O)O,-6.16 | |
| CCBr,-0.74 | |
| Cc1ccc2cc(ccc2c1)C,-2.63 | |
| CCCCCCO,-4.4 | |
| c1ccc(cc1)c2ccccc2Cl,-2.69 | |
| CC1=CCCCC1,0.67 | |
| CCCCCCO[N+](=O)[O-],-1.66 | |
| C(Br)(Br)Br,-2.13 | |
| CCc1ccc(cc1)O,-6.13 | |
| CCCOCCO,-6.4 | |
| c1ccc(cc1)OC=O,-3.82 | |
| c1c(c(=O)[nH]c(=O)[nH]1)I,-18.72 | |
| CCCC(=O)O,-6.35 | |
| COC(C(F)(F)F)(OC)OC,-0.8 | |
| C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O,-20.52 | |
| C(F)(F)(F)Br,1.79 | |
| CCCCO,-4.72 | |
| c1ccc(cc1)F,-0.8 | |
| CCOC(=O)C,-2.94 | |
| CC(C)COC(=O)C(C)C,-1.69 | |
| CC(C)(C)OC,-2.21 | |
| C1=C[C@@H]([C@@H]2[C@H]1[C@@]3(C(=C([C@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl,-2.55 | |
| CCC(=O)CC,-3.41 | |
| COC(=O)C(F)(F)F,-1.1 | |
| c1ccc2ccccc2c1,-2.4 | |
| c1cc(c(c(c1c2cc(c(c(c2Cl)Cl)Cl)Cl)Cl)Cl)Cl,-4.4 | |
| CC(=O)Oc1ccccc1C(=O)O,-9.94 | |
| CC(=O)C(C)(C)C,-3.11 | |
| COS(=O)(=O)C,-4.87 | |
| CCc1ccncc1,-4.73 | |
| CC(C)NC(C)C,-3.22 | |
| c1cc2c(cc1Cl)Oc3ccc(cc3O2)Cl,-3.67 | |
| CCCCCCCN,-3.79 | |
| CC1CCCC1,1.59 | |
| CCC,2 | |
| C[C@H]1CCCO1,-3.3 | |
| CNC(=O)Oc1cccc2c1cccc2,-9.45 | |
| c1cc(cc(c1)O)C=O,-9.52 | |
| c1ccc2cc3ccccc3cc2c1,-3.95 | |
| C(Cl)Cl,-1.31 | |
| CC(C)(C)C(=O)OC,-2.4 | |
| C([N+](=O)[O-])(Cl)(Cl)Cl,-1.45 | |
| C1CC[S+2](C1)([O-])[O-],-8.61 | |
| Cc1cccc(c1O)C,-5.26 | |
| Cc1cccc(c1)O,-5.49 | |
| c1ccc2c(c1)C(=O)c3c(ccc(c3C2=O)O)N,-9.53 | |
| c1ccc2c(c1)C(=O)c3c(ccc(c3C2=O)N)N,-11.85 | |
| CCCCCCCC(=O)C,-2.49 | |
| CCCCN,-4.24 | |
| CCCC(=O)OCC,-2.49 | |
| Cc1ccc(cc1)N,-5.57 | |
| CCCCCCI,0.08 | |
| C(C(F)(Cl)Cl)(F)(F)Cl,1.77 | |
| COP(=O)(OC)OC,-8.7 | |
| c1cc(cc(c1)Cl)Cl,-0.98 | |
| Cc1cc(c2ccccc2c1)C,-2.47 | |
| CCCC(C)C,2.51 | |
| CCOP(=S)(OCC)Oc1c(cc(c(n1)Cl)Cl)Cl,-5.04 | |
| C(C(F)(F)F)Cl,0.06 | |
| C=C,1.28 | |
| CCCCCI,-0.14 | |
| COC(OC)OC,-4.42 | |
| CCCCCCCCCC,3.16 | |
| C[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-],-4.95 | |
| CC=C,1.32 | |
| Cc1c[nH]c2c1cccc2,-5.88 | |
| COP(=O)([C@H](C(Cl)(Cl)Cl)O)OC,-12.74 | |
| C1CCCCC1,1.23 | |
| CC(=CCC/C(=C/CO)/C)C,-4.45 | |
| CC(C)c1ccccc1,-0.3 | |
| CC(C)C(C)C(C)C,2.56 | |
| CC(C)C(=O)C,-3.24 | |
| CCCCNCCCC,-3.24 | |
| CCCCS,-0.99 | |
| c1ccc2c(c1)Oc3c(c(c(c(c3Cl)Cl)Cl)Cl)O2,-3.81 | |
| COc1c(c(c(c(c1Cl)C=O)Cl)OC)O,-8.68 | |
| C1CCC(CC1)N,-4.59 | |
| C(F)(F)Cl,-0.5 | |
| COC(=O)c1ccc(cc1)[N+](=O)[O-],-6.88 | |
| CC(=O)c1cccnc1,-8.26 | |
| CC#C,-0.48 | |
| CCCCCCCCC=O,-2.07 | |
| CCC(=O)O,-6.46 | |
| C(Cl)(Cl)Cl,-1.08 | |
| Cc1cccc(c1C)C,-1.21 | |
| C,2 | |
| c1ccc(cc1)CCl,-1.93 | |
| CC1CCCCC1,1.7 | |
| Cc1cccs1,-1.38 | |
| c1ccncc1,-4.69 | |
| CCCCCl,-0.16 | |
| C[C@H]1CC[C@@H](O1)C,-2.92 | |
| Cc1ccc(c(c1)OC)O,-5.8 | |
| C1[C@H]([C@@H]2[C@H]([C@H]1Cl)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Cl,-3.44 | |
| Cc1ccccc1,-0.9 | |
| CC(C)COC=O,-2.22 | |
| CCOC(=O)c1ccc(cc1)O,-9.2 | |
| CCOCCOCC,-3.54 | |
| CCCCCOC(=O)CC,-2.11 | |
| CCCc1ccc(cc1)O,-5.21 | |
| CC=C(C)C,1.31 | |
| C(CCl)Cl,-1.79 | |
| CCC(C)(C)CC,2.56 | |
| Cc1cc2ccccc2cc1C,-2.78 | |
| Cc1cccc(n1)C,-4.59 | |
| COC(C(Cl)Cl)(F)F,-1.12 | |
| CCOCCOC(=O)C,-5.31 | |
| COc1cccc(c1)N,-7.29 | |
| c1cc(cnc1)C=O,-7.1 | |
| CCC(C)(C)O,-4.43 | |
| CCc1cccc(c1N(COC)C(=O)CCl)CC,-8.21 | |
| Cn1cccc1,-2.89 | |
| COCOC,-2.93 | |
| CCC(CC)O,-4.35 | |
| CCCCCCCCCC(=O)C,-2.15 | |
| C(CBr)Cl,-1.95 | |
| c1ccc(cc1)I,-1.74 | |
| CC1=CC(=O)CC(C1)(C)C,-5.18 | |
| CCI,-0.74 | |
| CCCc1ccc(c(c1)OC)O,-5.26 | |
| CC(C)Br,-0.48 | |
| Cc1ccc(cc1)Br,-1.39 | |
| c1cc(ccc1C#N)O,-10.17 | |
| CS(=O)(=O)C,-10.08 | |
| CCc1cccc(c1)O,-6.25 | |
| CC1=CC[C@H](C[C@@H]1O)C(=C)C,-4.44 | |
| c1cc(ccc1Br)Br,-2.3 | |
| COc1c(ccc(c1C(=O)O)Cl)Cl,-9.86 | |
| CC/C=C\C,1.31 | |
| CC,1.83 | |
| COc1ccccc1OC,-5.33 | |
| CCSCC,-1.46 | |
| c1cc(cnc1)C#N,-6.75 | |
| c1cc(c(cc1O)Cl)Cl,-7.29 | |
| COc1ccccc1,-2.45 | |
| Cc1ccc(c(c1)O)C,-5.91 | |
| c1cc(ccc1Cl)Cl,-1.01 | |
| C(F)Cl,-0.77 | |
| CCCC=C,1.68 | |
| c1cc(c(c(c1Cl)Cl)Cl)Cl,-1.34 | |
| CCCCCC#C,0.6 | |
| CCCCCCCCC(=O)C,-2.34 | |
| c1ccc(cc1)Cl,-1.12 | |
| CN(C)CCOC(c1ccccc1)c2ccccc2,-9.34 | |
| CCCCC=O,-3.03 | |
| c1ccc(cc1)Oc2ccccc2,-2.87 | |
| C1CCC(=O)CC1,-4.91 | |
| CCCC[N+](=O)[O-],-3.09 | |
| c1cnccc1C=O,-7 | |
| C(CCl)OCCCl,-4.23 | |
| CC[N+](=O)[O-],-3.71 | |
| c1cc(cnc1)Cl,-4.01 | |
| CBr,-0.82 | |
| CO,-5.1 | |
| CCCCCCC=O,-2.67 | |
| c1cc(c(c(c1)Cl)c2c(cccc2Cl)Cl)Cl,-2.28 | |
| c1ccc(c(c1)N)[N+](=O)[O-],-7.37 | |
| CN1CCCCC1,-3.88 | |
| CCCCCCCC=O,-2.29 | |
| c1ccc(cc1)[N+](=O)[O-],-4.12 | |
| C[C@@H]1CC[C@H](C(=O)C1)C(C)C,-2.53 | |
| C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O,-25.47 | |
| CF,-0.22 | |
| CS(=O)C,-9.28 | |
| c1ccc2c(c1)Oc3ccccc3O2,-3.15 | |
| Cc1ccccc1N,-5.53 | |
| CCCCBr,-0.4 | |
| CCCCCCCCCO,-3.88 | |
| Cc1ccncc1,-4.93 | |
| C(=C(Cl)Cl)(Cl)Cl,0.1 | |
| CC(C)(C)Br,0.84 | |
| C=C(c1ccccc1)c2ccccc2,-2.78 | |
| CCc1ccc(cc1)C,-0.95 | |
| Cc1cccnc1,-4.77 | |
| COCC(OC)(OC)OC,-5.73 | |
| c1ccc-2c(c1)Cc3c2cccc3,-3.35 | |
| CC(=O)N,-9.71 | |
| COS(=O)(=O)OC,-5.1 | |
| C(C(Cl)Cl)(Cl)Cl,-2.37 | |
| COC(=O)C1CCCCC1,-3.3 | |
| CCCCCCBr,0.18 | |
| CCCCCCCBr,0.34 | |
| c1ccc2c(c1)Oc3cccc(c3O2)Cl,-3.52 | |
| COC(CC#N)(OC)OC,-6.4 | |
| CC[C@H](C)Cl,0 | |
| CCCCCCc1ccccc1,-0.04 | |
| COc1cc(c(c(c1O)OC)Cl)C=O,-7.78 | |
| c1cc(cc(c1)C(F)(F)F)C(F)(F)F,1.07 | |
| c1ccc(cc1)Cn2ccnc2,-7.63 | |
| c1ccc2c(c1)cccc2N,-7.28 | |
| CCOC(=O)CC(=O)OCC,-6 | |
| CC(=O)C1CC1,-4.61 | |
| c1cc[nH]c1,-4.78 | |
| c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O,-9.4 | |
| CC1CCC(CC1)C,2.11 | |
| C1CCC(CC1)O,-5.46 | |
| CN(C)CCC=C1c2ccccc2CCc3c1cccc3,-7.43 | |
| c1cc(ccc1O)F,-6.19 | |
| c1ccc(c(c1)N)Cl,-4.91 | |
| Cc1ccc(c(c1)C)C,-0.86 | |
| CCc1ccccc1C,-0.85 | |
| C[C@@H]1CC[C@H](CC1=O)C(=C)C,-3.75 | |
| c1ccc(cc1)c2ccccc2,-2.7 | |
| Cc1cccc(c1C)O,-6.16 | |
| COP(=S)(OC)Oc1ccc(cc1)[N+](=O)[O-],-7.19 | |
| CCOP(=S)(OCC)Oc1ccc(cc1)[N+](=O)[O-],-6.74 | |
| CCN(CC)c1c(cc(c(c1[N+](=O)[O-])N)C(F)(F)F)[N+](=O)[O-],-5.66 | |
| CSC,-1.61 | |
| C[C@@H](c1cccc(c1)C(=O)c2ccccc2)C(=O)O,-10.78 | |
| C1CCC(C1)O,-5.49 | |
| CCCCC(=O)OC,-2.56 | |
| CCCC(=C)C,1.47 | |
| C[C@@H](c1ccc(c(c1)F)c2ccccc2)C(=O)O,-8.42 | |
| CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])S(=O)(=O)C)[N+](=O)[O-],-7.98 | |
| C=CCl,-0.59 | |
| Cc1ccc(cc1)C(=O)N(C)C,-9.76 | |
| CCCC(=O)CCC,-2.92 | |
| COC(=O)c1ccccc1,-3.92 | |
| Cc1ccc(cc1)C=O,-4.27 | |
| CCCC(=O)OCCC,-2.28 | |
| C1CNCCN1,-7.4 | |
| CCOP(=S)(OCC)S[C@@H](CCl)N1C(=O)c2ccccc2C1=O,-5.74 | |
| CCOCCO,-6.69 | |
| CCC(C)CC,2.51 | |
| Cc1cnccn1,-5.51 | |
| CCC[N+](=O)[O-],-3.34 | |
| Cc1cc(cc(c1)C)C,-0.9 | |
| c1c(c(=O)[nH]c(=O)[nH]1)F,-16.92 | |
| CCO,-5 | |
| Cc1ccc(c2c1cccc2)C,-2.82 | |
| c1c2c(cc(c1Cl)Cl)Oc3cc(c(cc3O2)Cl)Cl,-3.37 | |
| c1cc(c(c(c1)Cl)C#N)Cl,-4.71 | |
| CCOC=O,-2.56 | |
| c1c(c(cc(c1Cl)Cl)Cl)Cl,-1.34 | |
| CCOC(OCC)Oc1ccccc1,-5.23 | |
| c1cc(cc(c1)O)[N+](=O)[O-],-9.62 | |
| CCCCCCCCO,-4.09 | |
| CCC=C,1.38 | |
| C(Cl)(Cl)(Cl)Cl,0.08 | |
| c1ccc(cc1)CCO,-6.79 | |
| CN(C)C(=O)Nc1ccccc1,-9.13 | |
| CSSC,-1.83 | |
| C1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)SC(Cl)(Cl)Cl,-9.01 | |
| CC(=O)OCC(COC(=O)C)OC(=O)C,-8.84 | |
| COC,-1.91 | |
| CCCCCC,2.48 | |
| C(CBr)Br,-2.33 | |
| C(C(Cl)(Cl)Cl)(Cl)Cl,-1.23 | |
| c1c(c(=O)[nH]c(=O)[nH]1)C(F)(F)F,-15.46 | |
| Cc1cccc(c1N)C,-5.21 | |
| CCCOC(=O)C,-2.79 | |
| c1ccc2c(c1)cccn2,-5.72 | |
| CCS,-1.14 | |
| CCSSCC,-1.64 | |
| c1ccsc1,-1.4 | |
| CCc1cccc2c1cccc2,-2.4 | |
| CCCC(=O)C,-3.52 | |
| c1c(c(c(c(c1Cl)Cl)Cl)Cl)c2c(cc(c(c2Cl)Cl)Cl)Cl,-4.61 | |
| CCC[N@@](CC1CC1)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],-2.45 | |
| CC(=O)O,-6.69 | |
| CC=O,-3.5 | |
| c1cc(cc(c1)[N+](=O)[O-])N,-8.84 | |
| CCCCC#C,0.29 | |
| COc1ccccc1N,-6.12 | |
| c1ccc(cc1)O,-6.6 | |
| CCC#N,-3.84 | |
| c1ccc2c(c1)cccc2O,-7.67 | |
| CCCCOC(=O)C,-2.64 | |
| CC(C)(/C=N\OC(=O)NC)SC,-9.84 | |
| Cc1ccccc1O,-5.9 | |
| CC(C)C=O,-2.86 | |
| CCC(=O)N,-9.4 | |
| CCCBr,-0.56 | |
| CC(C)Cl,-0.25 | |
| C(CCl)CCl,-1.89 | |
| c1cc(ccc1[N+](=O)[O-])O,-10.64 | |
| C[C@@H](CCl)Cl,-1.27 | |
| c1cc(ccc1N)Cl,-5.9 | |
| c1ccc2c(c1)C(=O)c3cccc(c3C2=O)N,-9.44 | |
| Cc1cccnc1C,-4.82 | |
| c1cnccc1C#N,-6.02 | |
| CCOP(=S)(OCC)SCSCC,-4.37 | |
| CC(=O)C1CCCCC1,-3.9 | |
| Cc1ccccc1C=O,-3.93 | |
| CC(=O)c1ccncc1,-7.62 | |
| c1c2c(cc(c1Cl)Cl)Oc3c(c(c(c(c3Cl)Cl)Cl)Cl)O2,-3.71 | |
| CC(=O)C,-3.8 | |
| CC(=C)C,1.16 | |
| c1cc(c(cc1Cl)c2cc(c(c(c2)Cl)Cl)Cl)Cl,-3.61 | |
| CCCCC[N+](=O)[O-],-2.82 | |
| CCC/C=C/C=O,-3.68 | |
| CN(C)C(=O)c1ccc(cc1)[N+](=O)[O-],-11.95 | |
| C1CCOC1,-3.47 | |
| CCCCCCCC,2.88 | |
| CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],-3.25 | |
| CC(=CCC[C@](C)(C=C)OC(=O)C)C,-2.49 | |
| C[C@@H](CCO[N+](=O)[O-])O[N+](=O)[O-],-4.29 | |
| CC(C)OC(C)C,-0.53 | |
| CCCCC(C)C,2.93 | |
| c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)N(=O)=O,-5.22 | |
| [C@@H](C(F)(F)F)(Cl)Br,-0.11 | |
| CCCCOCCCC,-0.83 | |
| CCCCCC1CCCC1,2.55 | |
| CC(C)CC(C)C,2.83 | |
| Cc1ccc(nc1)C,-4.72 | |
| C/C=C/C=O,-4.22 | |
| CCC[C@H](C)CC,2.71 | |
| c1cc(c(c(c1)Cl)c2c(cc(cc2Cl)Cl)Cl)Cl,-1.96 | |
| c1ccc(cc1)O[C@@H](C(F)F)F,-1.29 | |
| COCCOC,-4.84 | |
| CC[C@H](C)c1ccccc1,-0.45 | |
| c1ccc(cc1)CCCO,-6.92 | |
| CC[C@@H](C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-],-6.23 | |
| COc1ccc(cc1)C(=O)OC,-5.33 | |
| CCC(=O)Nc1ccc(c(c1)Cl)Cl,-7.78 | |
| C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)O,-10.21 | |
| C1(C(C(C1(F)F)(F)F)(F)F)(F)F,3.43 | |
| CC(C)CCOC(=O)C,-2.21 | |
| CCCCCCCl,0 | |
| CC(C)CC(=O)C,-3.05 | |
| CCCCCC=O,-2.81 | |
| c1cc(cc(c1)Cl)N,-5.82 | |
| C1COCCN1,-7.17 | |
| CCOC(C)OCC,-3.28 | |
| CCCC[N@](CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-],-3.51 | |
| CS,-1.2 | |
| C1[C@@H]2[C@H](COS(=O)O1)[C@@]3(C(=C([C@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl,-4.23 | |
| CC(=O)c1ccc(cc1)OC,-4.4 | |
| C=CCO,-5.03 | |
| CCSC,-1.5 | |
| CCCCCOC(=O)C,-2.51 | |
| c1c(cc(c(c1Cl)Cl)Cl)Cl,-1.62 | |
| CC(=O)c1ccccc1,-4.58 | |
| CCCl,-0.63 | |
| CCCC1CCCC1,2.13 | |
| c1c(cc(cc1Cl)Cl)Cl,-0.78 | |
| CCCOC(=O)c1ccc(cc1)O,-9.37 | |
| c1cc(cc(c1)Cl)O,-6.62 | |
| CC(C)CCO,-4.42 | |
| CCCCCN,-4.09 | |
| Cc1c(c(=O)n(c(=O)[nH]1)C(C)(C)C)Cl,-11.14 | |
| CC(C)CCC(C)(C)C,2.93 | |
| CCCCOCCO,-6.25 | |
| C1[C@@H]2[C@H]3[C@@H]([C@H]1[C@H]4[C@@H]2O4)[C@@]5(C(=C([C@]3(C5(Cl)Cl)Cl)Cl)Cl)Cl,-4.82 | |
| c1ccc(cc1)C(=O)N,-11 | |
| CC(C)[N+](=O)[O-],-3.13 | |
| C(C(CO)O)O,-13.43 | |
| CCCI,-0.53 | |
| COCCN,-6.55 | |
| C(C(Cl)(Cl)Cl)Cl,-1.43 | |
| CCC(=O)OC,-2.93 | |
| C1CCCC1,1.2 | |
| CCc1cccnc1,-4.59 | |
| Cc1cc(cnc1)C,-4.84 | |
| COCCO,-6.62 | |
| COC=O,-2.78 | |
| c1ccc2cc(ccc2c1)N,-7.47 | |
| Cc1c[nH]cn1,-10.27 | |
| Cc1cccc(c1)[N+](=O)[O-],-3.45 | |
| C(CCCl)CCl,-2.32 | |
| CC(=O)CO[N+](=O)[O-],-5.99 | |
| CC(C)(C)c1ccccc1,-0.44 | |
| CCCCCC(=O)OC,-2.49 | |
| C[C@@H](C(F)(F)F)O,-4.16 | |
| CCCCCBr,-0.1 | |
| CCCCCCC=C,1.92 | |
| CC1=CC(=O)[C@@H](CC1)C(C)C,-4.51 | |
| CC(C)O,-4.74 | |
| CCCCCCN,-3.95 | |
| C(CO[N+](=O)[O-])CO[N+](=O)[O-],-4.8 | |
| Cc1ccc(c(c1)C)O,-6.01 | |
| CCCCCO,-4.57 | |
| CCC[C@@H](C)O,-4.39 | |
| CCCC[C@@H](C)CC,2.97 | |
| C[C@@H](c1ccc(cc1)CC(C)C)C(=O)O,-7 | |
| CCOC(=O)C[C@H](C(=O)OCC)SP(=S)(OC)OC,-8.15 | |
| Cc1ccc(cc1C)O,-6.5 | |
| Cc1cc(ccc1Cl)O,-6.79 | |
| CCCC/C=C/C,1.68 | |
| CCCOCCC,-1.16 | |
| C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C,-3.2 | |
| CCNc1nc(nc(n1)SC)NC(C)(C)C,-6.68 | |
| CC(C)CC(C)(C)C,2.89 | |
| CCCCC(=O)CCCC,-2.64 | |
| CCCCN(CC)C(=O)SCCC,-3.64 | |
| CCCCCC=C,1.66 | |
| CC(C)OC=O,-2.02 | |
| CC(OC(=O)C)OC(=O)C,-4.97 | |
| c1c(c(=O)[nH]c(=O)[nH]1)Cl,-17.74 | |
| CC(=C)c1ccccc1,-1.24 | |
| CCC(C)C,2.38 | |
| CCCCO[N+](=O)[O-],-2.09 | |
| c1ccc(cc1)Br,-1.46 | |
| CC(Cl)(Cl)Cl,-0.19 | |
| CC(=C)[C@H]1CCC(=CC1)C=O,-4.09 | |
| Cc1ccccc1[N+](=O)[O-],-3.58 | |
| CCCCCCCI,0.27 | |
| c1cc2ccc3cccc4c3c2c(c1)cc4,-4.52 | |
| CCCCCCl,-0.1 | |
| CC(C)COC(=O)C,-2.36 | |
| CCC(C)(C)C,2.51 | |
| c1cc(ccc1N)N(=O)=O,-9.82 | |
| COC(=O)CC#N,-6.72 | |
| COc1ccc(cc1)N,-7.48 | |
| CC(C)Cc1ccccc1,0.16 | |
| c1ccc(cc1)c2c(cc(cc2Cl)Cl)Cl,-2.16 | |
| CN,-4.55 | |
| c1ccc(c(c1)O)Cl,-4.55 | |
| c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)N,-11.53 | |
| C(=C\Cl)\Cl,-1.17 | |
| CCCCC(=O)C,-3.28 | |
| C(CO[N+](=O)[O-])O[N+](=O)[O-],-5.73 | |
| c1ccc(c(c1)O)F,-5.29 | |
| Cc1c(nc(nc1OC(=O)N(C)C)N(C)C)C,-9.41 | |
| C=Cc1ccccc1,-1.24 | |
| CCOP(=O)(OCC)OCC,-7.5 | |
| C(C(F)(F)F)O,-4.31 | |
| CCCCOC[C@H](C)O,-5.73 | |
| CCCO,-4.85 | |
| Cc1ccccc1C,-0.9 | |
| CC(C)(C)C,2.51 | |
| CCCC#C,0.01 | |
| c1ccc2c(c1)C(=O)NC2=O,-9.61 | |
| CCCCI,-0.25 | |
| Cc1ccc(cc1)O,-6.13 | |
| CC(C)I,-0.46 | |
| COc1ccccc1O,-5.94 | |
| C1CC=CC1,0.56 | |
| C[C@H](C(F)(F)F)O,-4.2 | |
| CCCN,-4.39 | |
| c1ccc(c(c1)[N+](=O)[O-])O,-4.58 | |
| Cc1cccc2c1cccc2,-2.44 | |
| c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl,-2.33 | |
| CCCCC/C=C/C=O,-3.43 | |
| CCCCCCC#C,0.71 | |
| CCOP(=S)(OCC)Oc1cc(nc(n1)C(C)C)C,-6.48 | |
| CCCCCCCC(=O)OC,-2.04 | |
| C1CCNC1,-5.48 | |
| c1cc(ccc1C=O)O,-8.83 | |
| CCCCCCCCl,0.29 | |
| C1COCCO1,-5.06 | |