| X y |
| OCC3OC(OCC2OC(OC(C#N)c1ccccc1)C(O)C(O)C2O)C(O)C(O)C3O -0.7700 |
| Cc1occc1C(=O)Nc2ccccc2 -3.3000 |
| CC(C)=CCCC(C)=CC(=O) -2.0600 |
| c1ccc2c(c1)ccc3c2ccc4c5ccccc5ccc43 -7.8700 |
| c1ccsc1 -1.3300 |
| c2ccc1scnc1c2 -1.5000 |
| Clc1cc(Cl)c(c(Cl)c1)c2c(Cl)cccc2Cl -7.3200 |
| CC12CCC3C(CCc4cc(O)ccc34)C2CCC1O -5.0300 |
| ClC4=C(Cl)C5(Cl)C3C1CC(C2OC12)C3C4(Cl)C5(Cl)Cl -6.2900 |
| COc5cc4OCC3Oc2c1CC(Oc1ccc2C(=O)C3c4cc5OC)C(C)=C -4.4200 |
| O=C1CCCN1 1.0700 |
| Clc1ccc2ccccc2c1 -4.1400 |
| CCCC=C -2.6800 |
| CCC1(C(=O)NCNC1=O)c2ccccc2 -2.6400 |
| CCCCCCCCCCCCCC -7.9600 |
| CC(C)Cl -1.4100 |
| CCC(C)CO -0.4700 |
| N#Cc1ccccc1 -1.0000 |
| CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C -3.6400 |
| CCCCCCCCCC(C)O -2.9400 |
| Clc1ccc(c(Cl)c1)c2c(Cl)ccc(Cl)c2Cl -7.4300 |
| O=c2[nH]c1CCCc1c(=O)n2C3CCCCC3 -4.5940 |
| CCOP(=S)(OCC)SCSCC -4.1100 |
| CCOc1ccc(NC(=O)C)cc1 -2.3500 |
| CCN(CC)c1c(cc(c(N)c1N(=O)=O)C(F)(F)F)N(=O)=O -5.4700 |
| CCCCCCCO -1.8100 |
| Cn1c(=O)n(C)c2nc[nH]c2c1=O -1.3900 |
| CCCCC1(CC)C(=O)NC(=O)NC1=O -1.6610 |
| ClC(Cl)=C(c1ccc(Cl)cc1)c2ccc(Cl)cc2 -6.9000 |
| CCCCCCCC(=O)OC -3.1700 |
| CCc1ccc(CC)cc1 -3.7500 |
| CCOP(=S)(OCC)SCSC(C)(C)C -4.7550 |
| COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1 -4.8050 |
| ClC(=C)Cl -1.6400 |
| Cc1cccc2c1Cc3ccccc32 -5.2200 |
| CCCCC=O -0.8500 |
| N(c1ccccc1)c2ccccc2 -3.5040 |
| CN(C)C(=O)SCCCCOc1ccccc1 -3.9270 |
| CCCOP(=S)(OCCC)SCC(=O)N1CCCCC1C -4.1500 |
| CCCCCCCI -4.8100 |
| c1c(Cl)cccc1c2ccccc2 -4.8800 |
| OCCCC=C -0.1500 |
| O=C2NC(=O)C1(CCC1)C(=O)N2 -1.6550 |
| CC(C)C1CCC(C)CC1O -2.5300 |
| CC(C)OC=O -0.6300 |
| CCCCCC(C)O -1.5500 |
| CC(=O)Nc1ccc(Br)cc1 -3.0830 |
| c1ccccc1n2ncc(N)c(Br)c2(=O) -3.1270 |
| COC(=O)C1=C(C)NC(=C(C1c2ccccc2N(=O)=O)C(=O)OC)C -4.7600 |
| c2c(C)cc1nc(C)ccc1c2 -1.9400 |
| CCCCCCC#C -3.6600 |
| CCC1(C(=O)NC(=O)NC1=O)C2=CCCCC2 -2.1700 |
| c1ccc2c(c1)ccc3c4ccccc4ccc23 -8.0570 |
| CCC(C)n1c(=O)[nH]c(C)c(Br)c1=O -2.5230 |
| Clc1cccc(c1Cl)c2c(Cl)c(Cl)cc(Cl)c2Cl -8.6000 |
| Cc1ccccc1O -0.6200 |
| CC(C)CCC(C)(C)C -5.0500 |
| Cc1ccc(C)c2ccccc12 -4.1400 |
| Cc1cc2c3ccccc3ccc2c4ccccc14 -6.5700 |
| CCCC(=O)C -0.1900 |
| Clc1cc(Cl)c(Cl)c(c1Cl)c2c(Cl)c(Cl)cc(Cl)c2Cl -9.1500 |
| CCCOC(=O)CC -0.8200 |
| CC34CC(O)C1(F)C(CCC2=CC(=O)C=CC12C)C3CC(O)C4(O)C(=O)CO -3.6800 |
| Nc1ccc(O)cc1 -0.8000 |
| O=C(Cn1ccnc1N(=O)=O)NCc2ccccc2 -2.8100 |
| OC4=C(C1CCC(CC1)c2ccc(Cl)cc2)C(=O)c3ccccc3C4=O -5.9310 |
| CCNc1nc(Cl)nc(n1)N(CC)CC -4.0600 |
| NC(=O)c1cnccn1 -0.6670 |
| CCC(Br)(CC)C(=O)NC(N)=O -2.6800 |
| Clc1ccccc1c2ccccc2Cl -5.2700 |
| O=C2CN(N=Cc1ccc(o1)N(=O)=O)C(=O)N2 -3.3800 |
| Clc2ccc(Oc1ccc(cc1)N(=O)=O)c(Cl)c2 -5.4600 |
| CC1(C)C2CCC1(C)C(=O)C2 -1.9600 |
| O=C1NC(=O)NC(=O)C1(CC=C)c1ccccc1 -2.3690 |
| CCCCC(=O)OCC -2.2500 |
| CC(C)CCOC(=O)C -1.9200 |
| O=C1N(COC(=O)CCCCC)C(=O)C(N1)(c2ccccc2)c3ccccc3 -5.8860 |
| Clc1cccc(c1)c2cc(Cl)ccc2Cl -6.0100 |
| CCCBr -1.7300 |
| CCCC1COC(Cn2cncn2)(O1)c3ccc(Cl)cc3Cl -3.4930 |
| COP(=S)(OC)SCC(=O)N(C)C=O -1.9950 |
| Cc1ncnc2nccnc12 -0.4660 |
| NC(=S)N 0.3200 |
| Cc1ccc(C)cc1 -2.7700 |
| CCc1ccccc1CC -3.2800 |
| ClC(Cl)(Cl)C(Cl)(Cl)Cl -3.6700 |
| CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c3ccc(OC(F)F)cc3 -6.8760 |
| CCCN(=O)=O -0.8000 |
| CC(C)C1CCC(C)CC1=O -2.3500 |
| CCN2c1cc(Cl)ccc1NC(=O)c3cccnc23 -5.3600 |
| O=N(=O)c1c(Cl)c(Cl)ccc1 -3.4800 |
| CCCC(C)C1(CC=C)C(=O)NC(=S)NC1=O -3.4600 |
| c1ccc2c(c1)c3cccc4cccc2c34 -6.0000 |
| CCCOC(C)C -1.3400 |
| Cc1cc(C)c2ccccc2c1 -4.2900 |
| CCC(=C(CC)c1ccc(O)cc1)c2ccc(O)cc2 -4.0700 |
| c1(C#N)c(Cl)c(C#N)c(Cl)c(Cl)c(Cl)1 -5.6400 |
| Clc1ccc(Cl)c(c1)c2ccc(Cl)c(Cl)c2 -7.2500 |
| C1OC1c2ccccc2 -1.6000 |
| CC(C)c1ccccc1 -3.2700 |
| CC12CCC3C(CCC4=CC(=O)CCC34C)C2CCC1C(=O)CO -3.4500 |
| c2(Cl)c(Cl)c(Cl)c1nccnc1c2(Cl) -5.4300 |
| C1OC(O)C(O)C(O)C1O 0.3900 |
| ClCCl -0.6300 |
| CCc1cccc2ccccc12 -4.1700 |
| COC=O 0.5800 |
| Oc1ccccc1N(=O)=O -1.7400 |
| Cc1c[nH]c(=O)[nH]c1=O -1.5060 |
| CC(C)C -2.5500 |
| OCC1OC(C(O)C1O)n2cnc3c(O)ncnc23 -1.2300 |
| Oc1c(I)cc(C#N)cc1I -3.6100 |
| Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)N(=O)=O -4.7000 |
| CCCCC -3.1800 |
| c1ccccc1O 0.0000 |
| Nc3ccc2cc1ccccc1cc2c3 -5.1700 |
| Cn1cnc2n(C)c(=O)[nH]c(=O)c12 -2.5230 |
| c1ccc2cnccc2c1 -1.4500 |
| COP(=S)(OC)SCC(=O)N(C(C)C)c1ccc(Cl)cc1 -4.4320 |
| CCCCCCc1ccccc1 -5.2100 |
| Clc1ccccc1c2ccccc2 -4.5400 |
| CCCC(=C)C -3.0300 |
| CC(C)C(C)C(C)C -4.8000 |
| Clc1cc(Cl)c(Cl)c(Cl)c1Cl -5.6500 |
| Oc1cccc(c1)N(=O)=O -1.0100 |
| CCCCCCCCC=C -5.5100 |
| CC(=O)OCC(COC(=O)C)OC(=O)C -0.6000 |
| CCCCc1c(C)nc(nc1O)N(C)C -2.2400 |
| CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c2ccc(F)c(Oc3ccccc3)c2 -7.3370 |
| c1ccncc1 0.7600 |
| CCCCCCCBr -4.4300 |
| Cc1ccncc1C 0.3600 |
| CC34CC(O)C1(F)C(CCC2=CC(=O)CCC12C)C3CCC4(O)C(=O)CO -3.4300 |
| CCSCc1ccccc1OC(=O)NC -2.0900 |
| CCOC(=O)CC(=O)OCC -0.8200 |
| CC1=CCC(CC1)C(C)=C -4.2600 |
| C1Cc2ccccc2C1 -3.0400 |
| CC(C)(C)c1ccc(O)cc1 -2.4100 |
| O=C2NC(=O)C1(CC1)C(=O)N2 -1.8860 |
| Clc1cccc(I)c1 -3.5500 |
| Brc1cccc2ccccc12 -4.3500 |
| CC/C=C/C -2.5400 |
| Cc1cccc(C)n1 0.4500 |
| ClC=C(Cl)Cl -1.9600 |
| Nc1cccc2ccccc12 -1.9200 |
| Cc1cccc(C)c1 -2.8200 |
| Oc2ncc1nccnc1n2 -1.9470 |
| CO 1.5700 |
| CCC1(CCC(C)C)C(=O)NC(=O)NC1=O -2.4680 |
| CCC(=O)C 0.5200 |
| Fc1c[nH]c(=O)[nH]c1=O -1.0770 |
| Nc1ncnc2n(ccc12)C3OC(CO)C(O)C3O -1.9500 |
| Oc1cccc(O)c1 0.8100 |
| CCCCCCO -1.2400 |
| CCCCCCl -2.7300 |
| C=CC=C -1.8700 |
| CCCOC(=O)C -0.7200 |
| Oc2ccc1CCCCc1c2 -1.9900 |
| NC(=O)CCl -0.0200 |
| COP(=S)(OC)Oc1cc(Cl)c(I)cc1Cl -6.6200 |
| Cc1ccc(Cl)cc1 -3.0800 |
| CSc1nnc(c(=O)n1N)C(C)(C)C -2.2530 |
| Cc1ccc(OP(=O)(Oc2cccc(C)c2)Oc3ccccc3C)cc1 -6.0100 |
| CCCCCC=O -1.3000 |
| CCCCOC(=O)c1ccc(N)cc1 -3.0820 |
| O2c1cc(C)ccc1N(C)C(=O)c3cc(N)cnc23 -3.0430 |
| CC(C)=CCC/C(C)=C\CO -2.4600 |
| Clc1ccc(cc1)c2ccccc2Cl -5.2800 |
| O=C1N(COC(=O)CCCCCCC)C(=O)C(N1)(c2ccccc2)c3ccccc3 -6.5230 |
| CCN(=O)=O -0.2200 |
| CCN(CC(C)=C)c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O -6.1240 |
| Clc1ccc(Cl)c(Cl)c1Cl -4.5700 |
| CCCC(C)(COC(N)=O)COC(N)=O -1.8070 |
| CC(=O)C3CCC4C2CC=C1CC(O)CCC1(C)C2CCC34C -4.6500 |
| CI -1.0000 |
| CC1CC(C)C(=O)C(C1)C(O)CC2CC(=O)NC(=O)C2 -1.1300 |
| O=C1N(COC(=O)CCCCCC)C(=O)C(N1)(c2ccccc2)c3ccccc3 -6.3010 |
| CC1=CC(=O)CC(C)(C)C1 -1.0600 |
| O=C1NC(=O)NC(=O)C1(CC)C(C)CC -2.3900 |
| CCCCC(=O)CCCC -2.5800 |
| CCC1(CCC(=O)NC1=O)c2ccccc2 -2.3370 |
| CCC(C)CC -3.6800 |
| CCOc1ccc(cc1)C(C)(C)COCc3cccc(Oc2ccccc2)c3 -8.6000 |
| Cc1ccccc1n3c(C)nc2ccccc2c3=O -2.9250 |
| ClCC#N -0.0920 |
| CCOP(=S)(CC)Oc1cc(Cl)c(Cl)cc1Cl -5.7520 |
| CC12CCC(=O)C=C1CCC3C2CCC4(C)C3CCC4(O)C#C -5.6600 |
| c1ccnnc1 1.1000 |
| Clc1cc(Cl)c(Cl)c(Cl)c1 -4.6300 |
| C1C(O)CCC2(C)CC3CCC4(C)C5(C)CC6OCC(C)CC6OC5CC4C3C=C21 -7.3200 |
| Nc1ccccc1O -0.7200 |
| CCCCCCCCC(=O)OCC -3.8000 |
| COCC(=O)N(C(C)C(=O)OC)c1c(C)cccc1C -1.6010 |
| CNC(=O)Oc1ccccc1OC(C)C -2.0500 |
| CCC(C)Cl -1.9600 |
| Oc1ccc2ccccc2c1 -2.2800 |
| CC(C)Oc1cc(c(Cl)cc1Cl)n2nc(oc2=O)C(C)(C)C -5.6960 |
| CCCCC#C -2.3600 |
| CCCCCCCC#C -4.2400 |
| Cc1ccccc1Cl -3.5200 |
| CC(C)OC(C)C -1.1000 |
| Nc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2 -3.0940 |
| CNN 1.3400 |
| CC#C -0.4100 |
| CCOP(=S)(OCC)ON=C(C#N)c1ccccc1 -4.8620 |
| CCNP(=S)(OC)OC(=CC(=O)OC(C)C)C -3.4080 |
| C=CC=O 0.5700 |
| O=c1[nH]cnc2nc[nH]c12 -2.2960 |
| Oc2ccc1ncccc1c2 -2.1600 |
| Fc1ccccc1 -1.8000 |
| CCCCl -1.4700 |
| CCOC(=O)C -0.0400 |
| CCCC(C)(C)C -4.3600 |
| Cc1cc(C)c(C)c(C)c1C -4.0000 |
| CC12CCC(CC1)C(C)(C)O2 -1.6400 |
| CCCCOC(=O)CCCCCCCCC(=O)OCCCC -3.8960 |
| Clc1ccc(cc1)c2ccc(Cl)cc2 -6.5600 |
| Cc1cccnc1C 0.3800 |
| CC(=C)C1CC=C(C)C(=O)C1 -2.0600 |
| CCOP(=S)(OCC)SCSc1ccc(Cl)cc1 -5.7360 |
| COc1cc(cc(OC)c1O)C6C2C(COC2=O)C(OC4OC3COC(C)OC3C(O)C4O)c7cc5OCOc5cc67 -3.5710 |
| c1cc2cccc3c4cccc5cccc(c(c1)c23)c54 -8.8040 |
| Cc1ccc(cc1N(=O)=O)N(=O)=O -2.8200 |
| c1c(Br)ccc2ccccc12 -4.4000 |
| CNC(=O)Oc1cccc(N=CN(C)C)c1 -2.3400 |
| COc2cnc1ncncc1n2 -1.1390 |
| Cc3ccnc4N(C1CC1)c2ncccc2C(=O)Nc34 -3.1900 |
| CCOP(=S)(OCC)Oc1nc(Cl)n(n1)C(C)C -3.6580 |
| CC(=C)C=C -2.0300 |
| CC(C)=CCCC(O)(C)C=C -1.9900 |
| COP(=S)(OC)Oc1ccc(SC)c(C)c1 -4.5700 |
| OC1CCCCC1 -0.4400 |
| O=C1NC(=O)NC(=O)C1(C)CC=C -1.1600 |
| CC34CCC1C(CCC2CC(O)CCC12C)C3CCC4=O -4.1600 |
| OCC(O)C(O)C(O)C(O)CO 0.0600 |
| Cc1ccc(cc1)c2ccccc2 -4.6200 |
| CCNc1nc(Cl)nc(NC(C)C)n1 -3.8500 |
| NC(=S)Nc1ccccc1 -1.7700 |
| CCCC(=O)CCC -1.3000 |
| CC(=O)C(C)(C)C -0.7200 |
| Oc1ccc(Cl)cc1 -0.7000 |
| O=C1CCCCC1 -0.6000 |
| Cc1cccc(N)c1 -0.8500 |
| ClC(Cl)(Cl)C#N -2.1680 |
| CNc2cnn(c1cccc(c1)C(F)(F)F)c(=O)c2Cl -4.0460 |
| CCCCCCCCC(=O)C -3.3000 |
| CCN(CC)c1nc(Cl)nc(NC(C)C)n1 -3.7850 |
| CCOC(=O)c1ccc(N)cc1 -2.6160 |
| Clc1ccc(Cl)c(Cl)c1 -3.5900 |
| Cc3nnc4CN=C(c1ccccc1Cl)c2cc(Cl)ccc2n34 -4.0900 |
| Oc1ccccc1O 0.6200 |
| CCN2c1ncccc1N(C)C(=O)c3cccnc23 -2.6200 |
| CSC -0.4500 |
| Cc1ccccc1Br -2.2300 |
| CCOC(=O)N 0.8500 |
| CC(=O)OC3(CCC4C2C=C(C)C1=CC(=O)CCC1(C)C2CCC34C)C(C)=O -5.3500 |
| CC(C)C(O)C(C)C -1.2200 |
| c1ccc2ccccc2c1 -3.6000 |
| CCNc1ccccc1 -1.7000 |
| O=C1NC(=O)C(N1)(c2ccccc2)c3ccccc3 -4.0970 |
| Cc1c2ccccc2c(C)c3ccc4ccccc4c13 -7.0200 |
| CCOP(=S)(OCC)SC(CCl)N1C(=O)c2ccccc2C1=O -6.3400 |
| COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl -6.8900 |
| Fc1cccc(F)c1C(=O)NC(=O)Nc2cc(Cl)c(F)c(Cl)c2F -7.2800 |
| O=C1N(COC(=O)CCCC)C(=O)C(N1)(c2ccccc2)c3ccccc3 -4.6780 |
| CN(C)C(=O)Nc1ccc(Cl)cc1 -2.8900 |
| OC(Cn1cncn1)(c2ccc(F)cc2)c3ccccc3F -3.3700 |
| CC(=O)OCC(=O)C3(O)C(CC4C2CCC1=CC(=O)C=CC1(C)C2(F)C(O)CC34C)OC(C)=O -4.1300 |
| CCCCBr -2.3700 |
| Brc1cc(Br)c(Br)cc1Br -6.9800 |
| CC(C)CC(=O)C -0.7400 |
| CCSC(=O)N(CC)C1CCCCC1 -3.4000 |
| COc1ccc(Cl)cc1 -2.7800 |
| CC1(C)C(C=C(Br)Br)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2 -8.4020 |
| CCC(C)C1(CC=C)C(=O)NC(=O)NC1=O -2.0160 |
| COP(=S)(OC)Oc1ccc(N(=O)=O)c(C)c1 -4.0400 |
| Ic1cccc2ccccc12 -4.5500 |
| OCC(O)C(O)C(O)C(O)CO 1.0900 |
| CCS -0.6000 |
| ClCC(Cl)Cl -1.4800 |
| CN(C)C(=O)Oc1cc(C)nn1c2ccccc2 -2.0900 |
| NC(=O)c1ccccc1O -1.8200 |
| Cc1ccccc1N(=O)=O -2.3300 |
| O=C1NC(=O)NC(=O)C1(C(C)C)C(C)C -2.7660 |
| CCc1ccccc1C -3.2100 |
| CCCCCCCCl -4.0000 |
| O=C1NC(=O)NC(=O)C1(CC)CC -2.4000 |
| C(Cc1ccccc1)c2ccccc2 -4.6200 |
| ClC(Cl)C(Cl)Cl -1.7400 |
| CCN2c1cc(OC)cc(C)c1NC(=O)c3cccnc23 -5.1530 |
| Cc1ccc2c(ccc3ccccc32)c1 -5.8400 |
| CCCCOC(=O)c1ccccc1C(=O)OCCCC -4.4000 |
| COc1c(O)c(Cl)c(Cl)c(Cl)c1Cl -4.0200 |
| CCN(CC)C(=O)C(=CCOP(=O)(OC)OC)Cl 0.5230 |
| CC34CCC1C(=CCc2cc(O)ccc12)C3CCC4=O -5.2820 |
| CCOC(=O)c1ccccc1S(=O)(=O)NN(C=O)c2nc(Cl)cc(OC)n2 -4.5760 |
| COc1ccc(cc1)N(=O)=O -2.4100 |
| CCCCCCCl -3.1200 |
| Clc1cc(c(Cl)c(Cl)c1Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl -9.1600 |
| OCC1OC(CO)(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C1O -0.4100 |
| CCCCCCCCCCCCCCCCCCCCCCCCCC -8.3340 |
| CCN2c1ccccc1N(C)C(=O)c3cccnc23 -3.3240 |
| CC(Cl)Cl -1.2900 |
| Nc1ccc(cc1)S(N)(=O)=O -1.3400 |
| CCCN(CCC)c1c(cc(cc1N(=O)=O)C(C)C)N(=O)=O -6.4900 |
| ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl -4.6400 |
| CCOP(=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C -4.1940 |
| Clc1cccc(Cl)c1Cl -4.0000 |
| ClC(Cl)(Cl)Cl -2.3100 |
| O=N(=O)c1cc(Cl)c(Cl)cc1 -3.2000 |
| OC1CCCCCCC1 -1.2900 |
| CC1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C -3.9990 |
| CCOc1ccc(NC(N)=O)cc1 -2.1700 |
| C/C1CCC(\C)CC1 -4.4700 |
| c1cnc2c(c1)ccc3ncccc23 -2.6800 |
| COC(C)(C)C -0.2400 |
| COc1ccc(C=CC)cc1 -3.1300 |
| CCCCCCCCCCCCCCCCO -7.0000 |
| O=c1cc[nH]c(=O)[nH]1 -1.4880 |
| Nc1ncnc2nc[nH]c12 -2.1200 |
| Clc1cc(Cl)c(cc1Cl)c2cccc(Cl)c2Cl -7.2100 |
| COc1ccc(cc1)C(O)(C2CC2)c3cncnc3 -2.5960 |
| c1ccc2c(c1)c3cccc4c3c2cc5ccccc54 -8.2300 |
| O=C(Nc1ccccc1)Nc2ccccc2 -3.1500 |
| CCC1(C(=O)NC(=O)NC1=O)c2ccccc2 -2.3220 |
| Clc1ccc(cc1)c2cccc(Cl)c2Cl -6.2900 |
| CC(C)c1ccc(NC(=O)N(C)C)cc1 -3.5360 |
| CCN(CC)C(=O)CSc1ccc(Cl)nn1 -1.7160 |
| CCC(C)(C)CO -1.0400 |
| CCCOC(=O)CCC -1.7500 |
| Cc1c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O -3.2200 |
| CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1 -4.2000 |
| C1CCCCCC1 -3.5100 |
| CCCOC=O -0.4900 |
| CC(C)c1ccccc1C -3.7600 |
| Nc1cccc(Cl)c1 -1.3700 |
| CC(C)CC(C)C -4.2600 |
| o1c2ccccc2c3ccccc13 -4.6000 |
| CCOC2Oc1ccc(OS(C)(=O)=O)cc1C2(C)C -3.4200 |
| CN(C)C(=O)Nc1cccc(c1)C(F)(F)F -3.4300 |
| c3ccc2nc1ccccc1cc2c3 -3.6700 |
| CC12CC(=O)C3C(CCC4=CC(=O)CCC34C)C2CCC1(O)C(=O)CO -3.1100 |
| OCC1OC(O)C(O)C(O)C1O 0.7400 |
| Cc1cccc(O)c1 -0.6800 |
| CC2Cc1ccccc1N2NC(=O)c3ccc(Cl)c(c3)S(N)(=O)=O -3.5860 |
| CCC(C)C(=O)OC2CC(C)C=C3C=CC(C)C(CCC1CC(O)CC(=O)O1)C23 -6.0050 |
| O=N(=O)c1ccc(cc1)N(=O)=O -3.3900 |
| CCC1(C(=O)NC(=O)NC1=O)C2=CCC3CCC2C3 -2.6960 |
| CCCCCCCCCC(=O)OCC -4.1000 |
| CN(C)C(=O)Nc1ccccc1 -1.6000 |
| CCCOCC -0.6600 |
| CC(C)O 0.4300 |
| Cc1ccc2ccccc2c1 -3.7700 |
| ClC(Br)Br -1.9000 |
| CCC(C(CC)c1ccc(O)cc1)c2ccc(O)cc2 -4.4300 |
| CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC -3.3700 |
| ClCc1ccccc1 -2.3900 |
| C/C=C/C=O 0.3200 |
| CON(C)C(=O)Nc1ccc(Br)c(Cl)c1 -3.9240 |
| Cc1c2ccccc2c(C)c3ccccc13 -6.5700 |
| CCCCCC(=O)OC -1.8700 |
| CN(C)C(=O)Nc1ccc(c(Cl)c1)n2nc(oc2=O)C(C)(C)C -4.3280 |
| CC(=O)Nc1ccc(F)cc1 -1.7800 |
| CCc1cccc(CC)c1N(COC)C(=O)CCl -3.2600 |
| C1CCC=CC1 -2.5900 |
| CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C2CCC1(O)C(=O)CO -3.0900 |
| c1cncnc1 1.1000 |
| Clc1ccc(cc1)N(=O)=O -2.9200 |
| CCC(=O)OC -0.1400 |
| Clc1ccccc1N(=O)=O -2.5500 |
| CCCCN(C)C(=O)Nc1ccc(Cl)c(Cl)c1 -4.7700 |
| CN1CC(O)N(C1=O)c2nnc(s2)C(C)(C)C -1.8770 |
| O=N(=O)c1ccccc1 -1.8000 |
| Ic1ccccc1 -3.0100 |
| CC2Nc1cc(Cl)c(cc1C(=O)N2c3ccccc3C)S(N)(=O)=O -3.7800 |
| COc1ccccc1OCC(O)COC(N)=O -0.9850 |
| CCCCOCN(C(=O)CCl)c1c(CC)cccc1CC -4.1900 |
| Oc1cccc(Cl)c1Cl -1.3000 |
| CCCC(=O)OC -1.9200 |
| CCC(=O)Nc1ccc(Cl)c(Cl)c1 -3.0000 |
| Nc3nc(N)c2nc(c1ccccc1)c(N)nc2n3 -2.4040 |
| CCCCCC(=O)OCC -2.3500 |
| OCC(O)C2OC1OC(OC1C2O)C(Cl)(Cl)Cl -1.8400 |
| CN(C=Nc1ccc(C)cc1C)C=Nc2ccc(C)cc2C -5.4700 |
| COc1nc(NC(C)C)nc(NC(C)C)n1 -2.4780 |
| CCCCCCC=C -4.4400 |
| Cc1ccc(N)cc1 -1.2100 |
| Nc1nccs1 -0.3600 |
| c1ccccc1(OC(=O)NC) -1.8030 |
| CCCC(O)CC -0.8000 |
| c3ccc2c(O)c1ccccc1cc2c3 -4.7300 |
| Cc1ccc2cc3ccccc3cc2c1 -6.9600 |
| Cc1cccc(C)c1C -3.2000 |
| CNC(=O)Oc1ccc(N(C)C)c(C)c1 -2.3600 |
| CCCCCCCC(C)O -2.7400 |
| CN(C(=O)NC(C)(C)c1ccccc1)c2ccccc2 -3.3500 |
| CCCC(=O)CC -0.8300 |
| Oc1c(Br)cc(C#N)cc1Br -3.3300 |
| Clc1ccc(cc1Cl)c2ccccc2 -6.3900 |
| CN(C(=O)COc1nc2ccccc2s1)c3ccccc3 -4.8730 |
| Oc1cccc2ncccc12 -2.5400 |
| CC1=C(SCCO1)C(=O)Nc2ccccc2 -3.1400 |
| CCOc2ccc1nc(sc1c2)S(N)(=O)=O -3.8100 |
| Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl -4.2800 |
| ClCBr -0.8900 |
| CCC1(CC)C(=O)NC(=O)N(C)C1=O -2.2300 |
| CC(=O)OCC(=O)C3CCC4C2CCC1=CC(=O)CCC1(C)C2CCC34C -4.6300 |
| NC(=O)NCc1ccccc1 -0.9500 |
| CN(C)C(=O)Nc1ccc(C)c(Cl)c1 -3.4830 |
| CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1 -3.5920 |
| OC1CCCCCC1 -0.8800 |
| CS(=O)(=O)c1ccc(cc1)C(O)C(CO)NC(=O)C(Cl)Cl -2.1540 |
| CCCC(C)C1(CC)C(=O)NC(=S)NC1=O -3.3600 |
| CC(=O)Nc1nnc(s1)S(N)(=O)=O -2.3600 |
| Oc1ccc(cc1)N(=O)=O -0.7400 |
| ClC1=C(Cl)C2(Cl)C3C4CC(C=C4)C3C1(Cl)C2(Cl)Cl -6.3070 |
| C1CCOC1 0.4900 |
| Nc1ccccc1N(=O)=O -1.9600 |
| Clc1cccc(c1Cl)c2cccc(Cl)c2Cl -7.2800 |
| CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3 -3.8100 |
| Cc1c(cccc1N(=O)=O)N(=O)=O -3.0000 |
| CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C -4.4200 |
| CCN(CC)c1nc(Cl)nc(n1)N(CC)CC -4.4110 |
| ClC(Cl)C(Cl)(Cl)SN2C(=O)C1CC=CCC1C2=O -5.4000 |
| c1(Br)c(Br)cc(Br)cc1 -4.5000 |
| OC3N=C(c1ccccc1)c2cc(Cl)ccc2NC3=O -3.9520 |
| O=C1NC(=O)NC(=O)C1(C(C)CCC)CC=C -2.3560 |
| c1(O)c(C)ccc(C(C)C)c1 -2.0800 |
| C1SC(=S)NC1(=O) -1.7700 |
| Oc1ccc(c(O)c1)c3oc2cc(O)cc(O)c2c(=O)c3O -3.0830 |
| ClC1(C(=O)C2(Cl)C3(Cl)C14Cl)C5(Cl)C2(Cl)C3(Cl)C(Cl)(Cl)C45Cl -5.2590 |
| CCN(CC)C(=S)SSC(=S)N(CC)CC -4.8600 |
| C1CCCCC1 -3.1000 |
| ClC1=C(Cl)C(Cl)(C(=C1Cl)Cl)C2(Cl)C(=C(Cl)C(=C2Cl)Cl)Cl -7.2780 |
| CN(C)C=Nc1ccc(Cl)cc1C -2.8600 |
| CC34CCc1c(ccc2cc(O)ccc12)C3CCC4=O -5.2400 |
| CCCCCCCCO -2.3900 |
| CCSCC -1.3400 |
| ClCCCl -1.0600 |
| CCC(C)(C)Cl -2.5100 |
| ClCCBr -1.3200 |
| Nc1ccc(cc1)N(=O)=O -2.3700 |
| OCC1OC(OC2C(O)C(O)C(O)OC2CO)C(O)C(O)C1O -0.2440 |
| CCN2c1ncccc1N(CC)C(=O)c3cccnc23 -2.8600 |
| Clc1ccccc1 -2.3800 |
| CCCCCCCC=C -5.0500 |
| Brc1ccc(I)cc1 -4.5600 |
| CCC(C)(O)CC -0.3600 |
| CCCCCc1ccccc1 -4.6400 |
| NC(=O)NC1NC(=O)NC1=O -1.6000 |
| OCC(O)COC(=O)c1ccccc1Nc2ccnc3cc(Cl)ccc23 -4.5710 |
| ClC(Cl)C(c1ccc(Cl)cc1)c2ccc(Cl)cc2 -7.2000 |
| CC(=O)OC3CCC4C2CCC1=CC(=O)CCC1(C)C2CCC34C -5.1840 |
| Clc1cccc2ccccc12 -3.9300 |
| CCN2c1ccccc1N(C)C(=O)c3ccccc23 -4.7490 |
| CCCCC(C)O -0.8900 |
| CCCC1CCCC1 -4.7400 |
| CCOC(=O)c1cncn1C(C)c2ccccc2 -4.7350 |
| Oc1ccc(Cl)c(Cl)c1 -1.2500 |
| CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2 -8.0170 |
| c2ccc1ocnc1c2 -1.1600 |
| CCCCCO -0.6000 |
| CCN(CC)c1ccccc1 -3.0300 |
| Fc1cccc(F)c1 -2.0000 |
| ClCCC#N -0.2900 |
| CC(C)(C)Cc1ccccc1 -4.1500 |
| O=C1NC(=O)NC(=O)C1(CC)c1ccccc1 -2.3220 |
| Clc1ccccc1I -3.5400 |
| c2ccc1[nH]nnc1c2 -0.7800 |
| CNC(=O)Oc1cccc2CC(C)(C)Oc12 -2.8000 |
| Cc1cccc(C)c1O -1.2900 |
| CC(C)C(C)O -0.1800 |
| c1ccccc1C(O)c2ccccc2 -2.5500 |
| CCCCCCCCCC(=O)OC -4.6900 |
| COP(=S)(OC)Oc1ccc(cc1Cl)N(=O)=O -4.3100 |
| CC(C)CBr -2.4300 |
| CCI -1.6000 |
| CN(C)C(=O)Oc1nc(nc(C)c1C)N(C)C -1.9500 |
| CCCCCCBr -3.8100 |
| CCCC(C)C -3.7400 |
| Cc1c(F)c(F)c(COC(=O)C2C(C=C(Cl)C(F)(F)F)C2(C)C)c(F)c1F -7.3210 |
| CCc1cccc(C)c1N(C(C)COC)C(=O)CCl -2.7300 |
| ON=Cc1ccc(o1)N(=O)=O -2.1900 |
| CC(C)C(Nc1ccc(cc1Cl)C(F)(F)F)C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2 -8.0030 |
| Nc1nc[nH]n1 0.5220 |
| BrC(Br)Br -1.9100 |
| COP(=O)(OC)C(O)C(Cl)(Cl)Cl -0.2200 |
| CCOP(=S)(OCC)SCn1c(=O)oc2cc(Cl)ccc12 -5.2330 |
| OCc1ccccc1 -0.4000 |
| O=c2c(C3CCCc4ccccc43)c(O)c1ccccc1o2 -2.8400 |
| Oc1ccc(Br)cc1 -1.0900 |
| CC(C)Br -1.5900 |
| CC(C)CC(C)(C)C -4.7400 |
| O=N(=O)c1cc(cc(c1)N(=O)=O)N(=O)=O -2.8900 |
| CN2C(=O)CN=C(c1ccccc1)c3cc(ccc23)N(=O)=O -3.7960 |
| CCC -1.9400 |
| Nc1cc(nc(N)n1=O)N2CCCCC2 -1.9890 |
| Nc2cccc3nc1ccccc1cc23 -4.2200 |
| c1ccc2cc3c4cccc5cccc(c3cc2c1)c45 -8.4900 |
| OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(Cl)(Cl)Cl -5.6660 |
| C1Cc2cccc3cccc1c23 -4.6300 |
| CCOP(=S)(OCC)SC(CCl)N2C(=O)c1ccccc1C2=O -6.3400 |
| Brc1ccc(Br)cc1 -4.0700 |
| Cn2c(=O)on(c1ccc(Cl)c(Cl)c1)c2=O -2.8200 |
| Oc1ccc(cc1)c2ccccc2 -3.4800 |
| CC1=C(CCCO1)C(=O)Nc2ccccc2 -2.5600 |
| CCOC=C -0.8500 |
| CCC#C -1.2400 |
| COc1ncnc2nccnc12 -1.1100 |
| CCCCC(C)(O)CC -1.6000 |
| Clc1ccc(Cl)cc1 -3.2700 |
| O=C1N(COC(=O)C)C(=O)C(N1)(c2ccccc2)c3ccccc3 -4.4700 |
| CSCS(=O)CC(CO)NC(=O)C=Cc1c(C)[nH]c(=O)[nH]c1=O -1.9810 |
| Cc1c[nH]c2ccccc12 -2.4200 |
| COc2ncc1nccnc1n2 -1.1100 |
| CNC(=O)Oc1ccccc1C2OCCO2 -1.5700 |
| C1N(C(=O)NCC(C)C)C(=O)NC1 -2.1500 |
| CC#N 0.2600 |
| CCOC(=O)NCCOc2ccc(Oc1ccccc1)cc2 -4.7000 |
| CC(=O)N(S(=O)c1ccc(N)cc1)c2onc(C)c2C -3.5900 |
| ClCC(Cl)(Cl)Cl -2.1800 |
| CCCCO 0.0000 |
| CC1CCCCC1NC(=O)Nc2ccccc2 -4.1100 |
| Clc1cc(Cl)cc(Cl)c1 -4.4800 |
| O=Cc1ccco1 -0.1000 |
| CC(C)CCO -0.5100 |
| O=Cc2ccc1OCOc1c2 -1.6300 |
| CC(=C)C -2.3300 |
| O=Cc1ccccc1 -1.1900 |
| CC(=C)C(=C)C -2.4000 |
| CCOC(=O)CCN(SN(C)C(=O)Oc1cccc2CC(C)(C)Oc21)C(C)C -4.7100 |
| O2c1ccccc1N(C)C(=O)c3cccnc23 -3.6720 |
| C1c2ccccc2c3ccccc13 -5.0000 |
| CC1CCCCC1 -3.8500 |
| NC(=N)NS(=O)(=O)c1ccc(N)cc1 -1.9900 |
| COC(=O)c1ccc(O)cc1 -1.8270 |
| CC1CCCO1 0.1100 |
| CC3C2CCC1(C)C=CC(=O)C(=C1C2OC3=O)C -3.0900 |
| OCC2OC(Oc1ccccc1CO)C(O)C(O)C2O -0.8500 |
| CCCI -2.2900 |
| CCNc1nc(NC(C)C)nc(SC)n1 -3.0400 |
| CCCO 0.6200 |
| CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C -3.8170 |
| CCCC(C)O -0.2900 |
| OC(C(=O)c1ccccc1)c2ccccc2 -2.8500 |
| Cc1ccc(O)c(C)c1 -1.1900 |
| Clc1cccc(c1)N(=O)=O -2.7700 |
| Cc2c(N)c(=O)n(c1ccccc1)n2C -0.6240 |
| Clc1ccc(c(Cl)c1)c2cc(Cl)ccc2Cl -6.5700 |
| ClC(=C(Cl)C(=C(Cl)Cl)Cl)Cl -4.9200 |
| CCNc1nc(NC(C)(C)C)nc(SC)n1 -4.0000 |
| CCC(C)CCO -0.7100 |
| Cc2ncc1nccnc1n2 -0.1200 |
| CC23Cc1cnoc1C=C2CCC4C3CCC5(C)C4CCC5(O)C#C -5.5070 |
| CCCCI -2.9600 |
| Brc1ccc2ccccc2c1 -4.4000 |
| CC1OC(CC(O)C1O)OC2C(O)CC(OC2C)OC8C(O)CC(OC7CCC3(C)C(CCC4C3CC(O)C5(C)C(CCC45O)C6=CC(=O)OC6)C7)OC8C -4.0810 |
| FC(F)(F)c1ccccc1 -2.5100 |
| CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCC -6.1440 |
| c1ccc2c(c1)sc3ccccc23 -4.3800 |
| Clc1ccc(c(Cl)c1)c2ccc(Cl)c(Cl)c2Cl -7.8000 |
| Clc1ccc(c(Cl)c1Cl)c2ccc(Cl)c(Cl)c2Cl -8.0100 |
| CC(=O)CC(c1ccccc1)c3c(O)c2ccccc2oc3=O -3.8930 |
| c1ccccc1C(O)C(O)c2ccccc2 -1.9300 |
| COC(=O)c1ccccc1C(=O)OC -1.6600 |
| CCCCCCCC(=O)OCC -3.3900 |
| CCSSCC -2.4200 |
| CCOCCOCC -0.7700 |
| Clc1cc(Cl)c(Cl)cc1Cl -5.5600 |
| Nc1ccc(cc1)c2ccc(N)cc2 -2.7000 |
| CCCCCC=C -3.7300 |
| CCCCc1c(C)nc(NCC)[nH]c1=O -3.0280 |
| O=C1NC(=O)NC(=O)C1(CC)C(C)CCC -2.3900 |
| Nc1ccccc1Cl -1.5200 |
| COc1cccc(Cl)c1 -2.7800 |
| CCCCN(CC)C(=O)SCCC -3.5300 |
| CCCCOC=O -1.3700 |
| CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C2CCC1(O)C(=O)CO -3.1800 |
| BrC(Cl)Cl -1.5400 |
| CC34CC(=O)C1C(CCC2=CC(=O)CCC12C)C3CCC4(=O) -3.4800 |
| c1ccc(cc1)c2ccc(cc2)c3ccccc3 -7.1100 |
| Oc1ccc(C=O)cc1 -0.9600 |
| CBr -0.7900 |
| Cc1cc(ccc1NS(=O)(=O)C(F)(F)F)S(=O)(=O)c2ccccc2 -3.8000 |
| CC(=O)CC(c1ccc(Cl)cc1)c2c(O)c3ccccc3oc2=O -5.8390 |
| CCc1ccc2ccccc2c1 -4.2900 |
| Nc1c(C)c[nH]c(=O)n1 -1.4580 |
| Clc2c(Cl)c(Cl)c(c1ccccc1)c(Cl)c2Cl -7.9200 |
| c1c(NC(=O)c2ccccc2(I))cccc1 -4.2100 |
| Cc3cc2nc1c(=O)[nH]c(=O)nc1n(CC(O)C(O)C(O)CO)c2cc3C -3.6850 |
| Fc1ccccc1Br -2.7000 |
| Oc1ccc(Cl)cc1Cl -1.5500 |
| CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc2cccc(Oc3ccccc3)c2 -6.2910 |
| CN2C(=C(O)c1ccccc1S2(=O)=O)C(=O)Nc3ccccn3 -4.1600 |
| O=C1N(COC(=O)CC)C(=O)C(N1)(c2ccccc2)c3ccccc3 -4.9070 |
| C1CCCC1 -2.6400 |
| Cc1ccccc1N -2.2100 |
| c1(OC)ccc(CC=C)cc1 -2.9200 |
| CN(C)C(=O)Nc1cccc(OC(=O)NC(C)(C)C)c1 -2.9300 |
| CC(C)C=C -2.7300 |
| Oc1ccccn1 1.0200 |
| CC -1.3600 |
| Clc1ccccc1Cl -3.0500 |
| Sc2nc1ccccc1s2 -3.1800 |
| Clc1c(Cl)c(Cl)c(c(Cl)c1Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl -11.6000 |
| COc2c1occc1cc3ccc(=O)oc23 -3.6640 |
| CC(=O)N 1.5800 |
| Cc1cccc2ccccc12 -3.7000 |
| CCN(CC)C(=O)C(C)Oc1cccc2ccccc12 -3.5700 |
| CC(O)C(C)(C)C -0.6200 |
| CCCC(=O)OCC -1.3600 |
| CC2=CC(=O)c1ccccc1C2=O -3.0300 |
| c1ccc2c(c1)ccc3ccccc32 -5.2600 |
| Cc1ccnc(C)c1 0.3800 |
| CCCCCCCCCO -3.0100 |
| BrCBr -1.1700 |
| CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO -3.5900 |
| Cc1ccc2cc(C)ccc2c1 -4.8900 |
| CCSC(=O)N(CC(C)C)CC(C)C -3.6800 |
| O=N(=O)OCC(CON(=O)=O)ON(=O)=O -2.2200 |
| Nc1cccc(c1)N(=O)=O -2.1900 |
| CCCCCl -2.0300 |
| ClC(Cl)(Cl)C(NC=O)N1C=CN(C=C1)C(NC=O)C(Cl)(Cl)Cl -4.1900 |
| Cn2cc(c1ccccc1)c(=O)c(c2)c3cccc(c3)C(F)(F)F -4.4450 |
| Nc3cc2c1ccccc1ccc2c4ccccc34 -6.2000 |
| CC12CCC3C(CCc4cc(O)ccc34)C2CCC1=O -3.9550 |
| CCN2c1ccccc1N(C)C(=S)c3cccnc23 -4.7060 |
| CC1CO1 -0.5900 |
| O=C3CN=C(c1ccccc1)c2cc(ccc2N3)N(=O)=O -3.7960 |
| CCNC(=S)NCC -1.4600 |
| Oc1cc(Cl)cc(Cl)c1Cl -2.6700 |
| CCCCC(=O)OC -1.3400 |
| Nc1ccccc1 -0.4100 |
| Cc1cccc2c(C)cccc12 -4.6790 |
| NS(=O)(=O)c2cc1c(NCNS1(=O)=O)cc2Cl -2.6300 |
| C1=Cc2cccc3cccc1c23 -3.9600 |
| CCCCCOC(=O)CC -1.2800 |
| CCNc1nc(NC(C)C)nc(OC)n1 -2.0840 |
| c1ccc2c(c1)cc3ccc4cccc5ccc2c3c45 -8.6990 |
| CCBr -1.0900 |
| CCC#CCC -1.9900 |
| CC1OC(CC(O)C1O)OC2C(O)CC(OC2C)OC8C(O)CC(OC7CCC3(C)C(CCC4C3CCC5(C)C(CCC45O)C6=CC(=O)OC6)C7)OC8C -5.2930 |
| CCC(=C)C -2.7300 |
| Oc1cccc2cccnc12 -2.4200 |
| C1CCc2ccccc2C1 -4.3700 |
| Oc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc(O)cc4 -2.9000 |
| Brc1cc(Br)cc(Br)c1 -5.6000 |
| COP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl -5.7200 |
| Cc1cc(=O)[nH]c(=S)[nH]1 -2.4360 |
| COc1cc(CC=C)ccc1O -1.5600 |
| O=C1NC(=O)NC(=O)C1(C(C)C)CC=C -1.7080 |
| c1cc2ccc3cccc4ccc(c1)c2c34 -6.1760 |
| CCOC(C)OCC -0.4300 |
| CC1(C)CON(Cc2ccccc2Cl)C1=O -2.3380 |
| CCCCOCCO -0.4200 |
| Clc1c(Cl)c(Cl)c(N(=O)=O)c(Cl)c1Cl -5.8200 |
| CC12CCC(O)CC1CCC3C2CCC4(C)C3CCC4=O -4.4020 |
| FC(F)(F)c1cccc(c1)N2CC(CCl)C(Cl)C2=O -4.0470 |
| c1ccc2ncccc2c1 -1.3000 |
| COC(=O)c1cc(O)c(O)c(O)c1 -1.2400 |
| OC(Cn1cncn1)(Cn2cncn2)c3ccc(F)cc3F -1.8000 |
| Clc2ccc1oc(=O)[nH]c1c2 -2.8310 |
| Clc1ccc(c(Cl)c1)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl -7.9200 |
| O=C1NC(=O)C(=O)C(=O)N1 -1.2500 |
| ClCCCCl -1.6200 |
| Fc1cccc(Br)c1 -2.6700 |
| Clc1ccc(Br)cc1 -3.6300 |
| CC(C)C(C)C -3.6500 |
| CCC=C -1.9400 |
| Clc1ccc(Cl)c(c1)c2cc(Cl)c(Cl)c(Cl)c2Cl -7.6800 |
| Nc1cc[nH]c(=O)n1 -1.1550 |
| FC(F)(Cl)C(F)(Cl)Cl -3.0400 |
| CCC#N 0.2800 |
| ClC(Cl)C(c1ccc(Cl)cc1)c2ccccc2Cl -6.5100 |
| COc1ccccc1N(=O)=O -1.9600 |
| CC34CCC1C(CC=C2CC(O)CCC12C)C3CCC4=O -4.1200 |
| CC12CC2(C)C(=O)N(C1=O)c3cc(Cl)cc(Cl)c3 -4.8000 |
| c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56 -9.0180 |
| CCC(C)c1cc(cc(N(=O)=O)c1O)N(=O)=O -3.3800 |
| c1c(OC)c(OC)C2C(=O)OCC2c1 -1.8990 |
| OCC(O)CO 1.1200 |
| COc1ccccc1O -1.9600 |
| CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl -5.6700 |
| Cc1c2ccccc2cc3ccccc13 -5.8900 |
| Cc1cc(=O)n(c2ccccc2)n1C 0.7150 |
| CCCCOC -0.9900 |
| Cc2cnc1cncnc1n2 -0.8540 |
| CCNc1nc(Cl)nc(NCC)n1 -4.5500 |
| CN(C)C(=O)C 1.1100 |
| CSc1nc(nc(n1)N(C)C)N(C)C -2.6760 |
| C=C -0.4000 |
| CC(C)(C)CCO -0.5000 |
| O=C1NC(=O)NC(=O)C1(CC)CC=C -1.6140 |
| Oc1ccc(Cl)c(Cl)c1Cl -2.6700 |
| COc1ccccc1 -1.8500 |
| c1ccc(Cl)cc1C(c2ccc(Cl)cc2)(O)C(=O)OC(C)C -4.5300 |
| CC13CCC(=O)C=C1CCC4C2CCC(C(=O)CO)C2(CC(O)C34)C=O -3.8500 |
| COc2ccc(Oc1ccc(NC(=O)N(C)C)cc1)cc2 -4.1600 |
| CCc1ccc(C)cc1 -3.1100 |
| CC(C)SC(C)C -2.2400 |
| O=N(=O)c1cccc(c1)N(=O)=O -2.2900 |
| CCOP(=S)(OCC)SCSP(=S)(OCC)OCC -5.5400 |
| CCC1(C(C)C)C(=O)NC(=O)NC1=O -2.2100 |
| CC(=O)OCC(=O)C3(O)CCC4C2CCC1=CC(=O)CCC1(C)C2C(=O)CC34C -4.2100 |
| Cc1ncc(N(=O)=O)n1CCO -1.2200 |
| Nc1ccc(Cl)cc1 -1.6600 |
| CCCC(C)(C)CO -1.5200 |
| c1ccoc1 -0.8200 |
| COCCCNc1nc(NC(C)C)nc(SC)n1 -2.9280 |
| CN(C)C(=O)NC1CC2CC1C3CCCC23 -3.1710 |
| CC(C)(C)c1ccccc1 -3.6600 |
| CC(=O)CCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3 -3.2700 |
| CC(=O)OCC(=O)C3(O)CCC4C2CCC1=CC(=O)C=CC1(C)C2C(O)CC34C -4.3700 |
| CCCOC -0.3900 |
| CC(C)OC(=O)C -0.5500 |
| Brc1ccccc1 -2.5500 |
| CCOC(=O)c1ccc(O)cc1 -2.3500 |
| O=C1N(COC(=O)CCC)C(=O)C(N1)(c2ccccc2)c3ccccc3 -5.0710 |
| CCC(=O)OC3CCC4C2CCC1=CC(=O)CCC1(C)C2CCC34C -5.3700 |
| c1cc2ccc3ccc4ccc5ccc6ccc1c7c2c3c4c5c67 -9.3320 |
| O=c1[nH]cnc2[nH]ncc12 -2.2660 |
| ClC=C -1.7500 |
| CN(C)C(=O)C(c1ccccc1)c2ccccc2 -2.9800 |
| BrC(Br)(Br)Br -3.1400 |
| CCN2c1cc(N(C)C)cc(C)c1NC(=O)c3cccnc23 -4.8710 |
| O=C1NC(=O)c2ccccc12 -2.6100 |
| OC(c1ccc(Cl)cc1)(c2cncnc2)c3ccccc3Cl -4.3800 |
| COC(=O)c1ccccc1 -1.8500 |
| Cn1ccc(=O)[nH]c1=O -0.8070 |
| CCCCC1C(=O)N(N(C1=O)c2ccc(O)cc2)c3ccccc3 -3.7300 |
| Clc1ccc(Cl)c(c1)c2cccc(Cl)c2Cl -6.4700 |
| CCC2NC(=O)c1cc(c(Cl)cc1N2)S(N)(=O)=O -3.2900 |
| CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1 -3.8000 |
| C1CC=CC1 -2.1000 |
| C1(=O)NC(=O)NC(=O)C1(O)C2(O)C(=O)NC(=O)NC2(=O) -1.9900 |
| CCCCCCCCC -5.8800 |
| Oc1ccccc1Cl -1.0600 |
| c1cccc2c3c(C)cc4ccccc4c3ccc12 -6.5900 |
| CCOc1ccccc1 -2.3300 |
| CCOC(=O)C=Cc1ccccc1 -3.0000 |
| Cc1[nH]c(=O)n(c(=O)c1Cl)C(C)(C)C -2.4840 |
| Clc1ccccc1C2=NCC(=O)Nc3ccc(cc23)N(=O)=O -3.4990 |
| Cc1ccc(cc1)S(=O)(=O)N -1.7400 |
| CC(OC(=O)Nc1cccc(Cl)c1)C#C -2.6170 |
| CCCCCC(C)C -5.0800 |
| CC1(C)C(C=C(Cl)C(F)(F)F)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2 -8.1760 |
| CCCC1C(=O)N3N(C1=O)c2cc(C)ccc2N=C3N(C)C -3.5380 |
| CN2C(=O)CN=C(c1ccccc1)c3cc(Cl)ccc23 -3.7540 |
| CCC(O)C(C)C -0.7000 |
| CCOP(=S)(OCC)Oc1ccc(cc1)S(C)=O -2.3000 |
| CC1(C)C2CCC1(C)C(O)C2 -2.3200 |
| CC12CCC3C(CCC4=CC(=O)CCC34C)C2CCC1O -4.0200 |
| CCCCCCC -4.5300 |
| Oc1cccc2ccccc12 -2.2200 |
| C/C1CCCCC1\C -4.3000 |
| COc2cc1c(N)nc(nc1c(OC)c2OC)N3CCN(CC3)C(=O)OCC(C)(C)O -3.6380 |
| C1Cc2c3c1cccc3cc4c2ccc5ccccc54 -7.8500 |
| CC(=O)C3(C)CCC4C2C=C(C)C1=CC(=O)CCC1(C)C2CCC34C -5.2700 |
| CCCCCC(=O)C -1.4500 |
| COP(=O)(NC(C)=O)SC 0.5400 |
| CCCCSP(=O)(SCCCC)SCCCC -5.1400 |
| c1cC2C(=O)NC(=O)C2cc1 -2.9320 |
| NS(=O)(=O)c2cc1c(NC(NS1(=O)=O)C(Cl)Cl)cc2Cl -2.6800 |
| CC=C(C)C -2.5600 |
| Cc1ccc(C)c(C)c1 -3.3100 |
| Oc1cc(Cl)c(Cl)cc1Cl -2.2100 |
| c1ccc2c(c1)cnc3ccccc23 -2.7800 |
| CCCC(C)(O)CC -0.9800 |
| CCCCCCCC -5.2400 |
| c1ccc2cc3ccccc3cc2c1 -6.3500 |
| NNc1ccccc1 0.0700 |
| CCC=O 0.5800 |
| C1CCCCCCC1 -4.1500 |
| O=C1NC(=O)NC(=O)C1(CC=C)CC=C -2.0770 |
| ClC(Cl)Cl -1.1700 |
| Sc1nccc(=O)[nH]1 -2.2730 |
| Clc1ccc(CN(C2CCCC2)C(=O)Nc3ccccc3)cc1 -5.9150 |
| CC1=CCCCC1 -3.2700 |
| CCCCC(CC)C=O -2.1300 |
| COc2c1occc1c(OC)c3c(=O)cc(C)oc23 -3.0210 |
| O=C1NC(=O)NC(=O)C1(CC)CCC(C)C -2.6580 |
| c1ccc2c3c(ccc2c1)c4cccc5cccc3c45 -8.0000 |
| CCC(CC)C=O -1.5200 |
| CCCOCCC -1.6200 |
| CCCCCCCCCCCCCCO -5.8400 |
| Oc1c(Cl)ccc(Cl)c1Cl -2.6400 |
| NC(=O)N 0.9600 |
| CCCC#C -1.6400 |
| Brc1cccc(Br)c1 -3.5400 |
| CCCCCCCCCCCCCCCCCCO -8.4000 |
| CC(=O)Nc1ccccc1 -1.3300 |
| c1cc(O)c(O)c2OCC3(O)CC4=CC(=O)C(O)=CC4=C3c21 -2.7000 |
| c1nccc(C(=O)NN)c1 0.0090 |
| OC1C=CC2C1C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl -5.4600 |
| CC(C)CCOC=O -1.5200 |
| CC(=O)c1ccccc1 -1.2800 |
| c2ccc1nc(ccc1c2)c4ccc3ccccc3n4 -5.4000 |
| CCOP(=O)(OCC)OCC 0.4300 |
| CC2(C)C1CCC(C)(C1)C2=O -1.8500 |
| COc2cnc1cncnc1n2 -0.9100 |
| ClC2=C(Cl)C3(Cl)C1C=CCC1C2(Cl)C3(Cl)Cl -5.6400 |
| CC(C)N(=O)=O -0.6200 |
| c1ccc2c(c1)[nH]c3ccccc32 -5.2700 |
| OCC(O)C(O)CO 0.7000 |
| CCCOC(=O)c1ccc(N)cc1 -2.4520 |
| CNC(=O)C=C(C)OP(=O)(OC)OC 0.6510 |
| O=C1CCC(=O)N1 0.3000 |
| CCC(C)C(C)C -4.2800 |
| CCCCc1c(C)nc(NCC)nc1OS(=O)(=O)N(C)C -4.1600 |
| CCN2c1ncccc1N(C)C(=S)c3cccnc23 -4.6340 |
| O2c1ccccc1N(CC)C(=O)c3ccccc23 -3.6800 |
| C1CCOCC1 -0.0300 |
| CCCCCC#C -3.0100 |
| c1cc2ccc(OC)c(CC=C(C)(C))c2oc1=O -4.3140 |
| c1cc(C)cc2c1c3cc4cccc5CCc(c45)c3cc2 -7.9200 |
| CCOC(=O)c1ccccc1 -2.3200 |
| ClCC(C)C -2.0000 |
| CC34CCC1C(CCc2cc(O)ccc12)C3CCC4(O)C#C -4.3000 |
| CCCCCCCCCCCC(=O)OC -4.6900 |
| CCCSCCC -2.5800 |
| c1ccc2cc3cc4ccccc4cc3cc2c1 -8.6000 |
| CCCCCBr -3.0800 |
| CCCC/C=C/C -3.8200 |
| Cc1ncc(N(=O)=O)n1CCO -1.2600 |
| CCCCCC1CCCC1 -6.0800 |
| Clc1ccc(Cl)c(c1)c2c(Cl)c(Cl)cc(Cl)c2Cl -7.4200 |
| O=C1NC(=O)NC(=O)C1(CC)C(C)C -2.1480 |
| CC(Cl)(Cl)Cl -2.0000 |
| CON(C)C(=O)Nc1ccc(Cl)cc1 -2.5700 |
| O=C2NC(=O)C1(CCCCC1)C(=O)N2 -3.0600 |
| CN(C)C(=O)OC1=CC(=O)CC(C)(C)C1 -0.8500 |
| Cc1ccc(Br)cc1 -3.1900 |
| CCOCC -0.0900 |
| CC(C)NC(=O)N1CC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2 -4.3760 |
| CCCCN(CC)c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O -5.5300 |
| Cc1cc(C)c(O)c(C)c1 -2.0500 |
| c1ccccc1 -1.6400 |
| Clc1ccc(I)cc1 -4.0300 |
| COc1ccc(NC(=O)N(C)C)cc1Cl -2.5640 |
| CC(C)N(C(=O)CCl)c1ccccc1 -2.4800 |
| C=Cc1ccccc1 -2.8200 |
| COCOC 0.4800 |
| Cc1ccccc1C -2.8000 |
| CCC(C)O 0.4700 |
| Oc1ccc(O)cc1 -0.1700 |
| CC34CCC1C(CCc2cc(O)ccc12)C3CC(O)C4O -4.9550 |
| C1c2ccccc2c3cc4ccccc4cc13 -8.0400 |
| O=C1CNC(=O)N1 -0.4000 |
| c1(O)cc(O)ccc1CCCCCC -2.5900 |
| C=CCS(=O)SCC=C -0.8300 |
| CCOP(=S)(OCC)Oc2ccc1oc(=O)c(Cl)c(C)c1c2 -5.3820 |
| Cc1c(C)c2c3ccccc3ccc2c4ccccc14 -7.0100 |
| CCCCC(=O)OC3(C(C)CC4C2CCC1=CC(=O)C=CC1(C)C2(F)C(O)CC34C)C(=O)CO -4.7100 |
| O=c2[nH]c(=O)c1[nH]c(=O)[nH]c1[nH]2 -3.9300 |
| Oc1c(Cl)cc(Cl)c(Cl)c1Cl -3.1000 |
| Clc1cccc(Cl)c1 -3.0400 |
| Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl -7.1500 |
| CC(C)COC=O -1.0100 |
| c1ccccc1SC -2.3900 |
| CCN2c1nc(C)cc(C(F)(F)F)c1NC(=O)c3cccnc23 -4.2070 |
| CCCCCC -3.8400 |
| COC(=O)c1cccnc1 -0.4600 |
| NS(=O)(=O)c3cc2c(NC(Cc1ccccc1)NS2(=O)=O)cc3C(F)(F)F -3.5900 |
| Clc1ccc(cc1Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl -7.8200 |
| CC1(OC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2)C=C -4.9250 |
| CCNc1nc(Cl)nc(NC(C)(C)C#N)n1 -3.1500 |
| c1ccc2c(c1)c3ccccc3c4ccccc24 -6.7260 |
| CC=C(C(=CC)c1ccc(O)cc1)c2ccc(O)cc2 -4.9500 |
| CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC -6.9600 |
| CCc1ccccn1 0.5100 |
| COP(=O)(OC)OC(Br)C(Cl)(Cl)Br -2.2800 |
| c1ccc(cc1)c2ccccc2 -4.3450 |
| Clc1cc(Cl)c(c(Cl)c1)c2c(Cl)cc(Cl)cc2Cl -8.7100 |
| CN(C)c1nc(nc(n1)N(C)C)N(C)C -3.3640 |
| CC(C)CC(C)(C)O -0.9200 |
| O=C2NC(=O)C1(CCCCCC1)C(=O)N2 -3.1680 |
| OCC1OC(O)(CO)C(O)C1O 0.6400 |
| Cc1cc(C)cc(O)c1 -1.4000 |
| ClCC#CCOC(=O)Nc1cccc(Cl)c1 -4.3700 |
| CC(=O)Nc1ccc(Cl)cc1 -2.8430 |
| Clc1ccc(Cl)c(c1)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl -8.9400 |
| CCC(C)(C)C -3.5500 |
| CNc1ccccc1 -1.2800 |
| C=CCC=C -2.0900 |
| CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C -4.8800 |
| Cc1cc(cc(N(=O)=O)c1O)N(=O)=O -1.4560 |
| OC3N=C(c1ccccc1Cl)c2cc(Cl)ccc2NC3=O -3.6040 |
| Oc1cccc(Cl)c1 -0.7000 |
| Clc1cccc(Br)c1 -3.2100 |
| NS(=O)(=O)c2cc1c(N=CNS1(=O)=O)cc2Cl -3.0500 |
| O=C1NC(=O)NC(=O)C1(C)CC -1.2280 |
| OCCOc1ccccc1 -0.7000 |
| C(c1ccccc1)c2ccccc2 -4.0800 |
| CCCCCC(O)CC -1.9800 |
| CCN(Cc1c(F)cccc1Cl)c2c(cc(cc2N(=O)=O)C(F)(F)F)N(=O)=O -6.7800 |
| CC(C)Nc1nc(Cl)nc(NC(C)C)n1 -4.4300 |
| CCCC(C)CO -1.1100 |
| CCCCC(C)(C)O -1.0800 |
| CCc1ccccc1 -2.7700 |
| O=C1NC(=O)NC(=O)C1(CC)CC=C(C)C -2.2530 |
| ClC1C=CC2C1C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl -6.3170 |
| CCC(C)C1(CC(Br)=C)C(=O)NC(=O)NC1=O -2.6470 |
| CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C -6.0250 |
| COC(C)(C)CCCC(C)CC=CC(C)=CC(=O)OC(C)C -5.1900 |
| CCOC(=O)CC -0.6600 |
| CSc1nc(NC(C)C)nc(NC(C)C)n1 -4.1000 |
| CC(C#C)N(C)C(=O)Nc1ccc(Cl)cc1 -3.9000 |
| Cc1cc2ccccc2cc1C -4.7200 |
| Clc1ccc(cc1)c2cc(Cl)ccc2Cl -6.2500 |
| Clc1ccc(c(Cl)c1)c2cc(Cl)c(Cl)c(Cl)c2Cl -7.3900 |
| NC(N)=NC#N -0.3100 |
| ClC(Cl)(Cl)N(=O)=O -2.0000 |
| Clc1cccc(Cl)c1c2ccccc2 -5.2100 |
| COc1ccc(C=O)cc1 -1.4900 |
| CC(=O)Nc1ccc(cc1)N(=O)=O -2.6920 |
| CCCCCCC(=O)OCC -2.7400 |
| CC(=O)Nc1ccc(O)cc1 -1.0300 |
| c2ccc1[nH]ncc1c2 -2.1600 |
| CC5(C)OC4CC3C2CCC1=CC(=O)C=CC1(C)C2(F)C(O)CC3(C)C4(O5)C(=O)CO -4.3100 |
| Nc2nc1[nH]cnc1c(=O)[nH]2 -3.5830 |
| COC(=O)C 0.4600 |
| CC34CCC1C(CCC2CC(=O)CCC12C)C3CCC4O -4.7430 |
| CCCC(O)C=C -0.5900 |
| OC(C1=CC2C5C(C1C2=C(c3ccccc3)c4ccccn4)C(=O)NC5=O)(c6ccccc6)c7ccccn7 -3.9310 |
| CCCCOCCCC -1.8500 |
| CCCCCCCCCCCCO -4.8000 |
| CCN2c1nc(N(C)(CCO))ccc1NC(=O)c3cccnc23 -3.3600 |
| CCCC(C)(C)O -0.4900 |
| Nc1nc(=O)[nH]cc1F -0.9720 |
| CCCCOc1ccc(C(=O)OCC)c(c1)N(CC)CC -3.8400 |
| CCCCCC(C)(C)O -1.7200 |
| Cc1c(C)c(C)c(C)c(C)c1C -5.2300 |
| CC(C)c1ccc(C)cc1O -2.2200 |
| c2cnc1ncncc1n2 0.0200 |
| CCOP(=S)(OCC)Oc1ccc(cc1)N(=O)=O -4.6600 |
| C -0.9000 |
| c2ccc1NCCc1c2 -1.0400 |
| O=N(=O)c1cccc2ccccc12 -3.5400 |
| CCC(C)C(=O)C -0.6700 |
| Nc1nc(O)nc2nc[nH]c12 -3.4010 |
| OC(CC(c1ccccc1)c3c(O)c2ccccc2oc3=O)c4ccc(cc4)c5ccc(Br)cc5 -4.4450 |
| CN(=O)=O 0.2600 |
| CC(C)N(C(C)C)C(=O)SCC(Cl)=C(Cl)Cl -4.8800 |
| C=CCCC=C -2.6800 |
| c2ccc1[nH]ccc1c2 -1.5200 |
| CC34CCC1C(CCC2=CC(=O)CCC12C)C3CCC4=O -3.6900 |
| CCCCC=C -3.2300 |
| Cc1cccc(C)c1NC(=O)c2cc(c(Cl)cc2O)S(N)(=O)=O -3.7900 |
| CCC1CCCCC1 -4.2500 |
| CCCCCCCC(=O)C -2.5800 |
| COC(=O)Nc2nc1ccc(cc1[nH]2)C(=O)c3ccccc3 -3.8800 |
| CC(C)OC(=O)Nc1cccc(Cl)c1 -3.3800 |
| CCN2c1nc(Cl)ccc1N(C)C(=O)c3cccnc23 -4.1140 |
| CNC(=O)Oc1cccc2ccccc12 -3.2240 |
| C#C 0.2900 |
| Cc1cncc(C)c1 0.3800 |
| C1C=CCC=C1 -2.0600 |
| CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC -2.5180 |
| CC(O)c1ccccc1 -0.9200 |
| CC(Cl)CCl -1.6000 |
| CCCC=C(CC)C=O -2.4600 |
| CCOP(=S)(OCC)SCCSCC -4.2300 |
| CC(=O)OC3(C)CCC4C2CCC1=CC(=O)CCC1(C)C2CCC34C -5.2840 |
| Clc1ccc(cc1)c2c(Cl)cccc2Cl -6.1400 |
| Fc1cccc(F)c1C(=O)NC(=O)Nc2ccc(Cl)cc2 -6.0200 |
| Oc1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl -4.4600 |
| c1(C(=O)OCCCCCC(C)(C))c(C(=O)OCCCCCC(C)(C))cccc1 -6.6370 |
| CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C2CCC1C(=O)CO -3.2400 |
| Cc1cc(C)cc(C)c1 -3.4000 |
| CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC -5.1150 |
| CCCCCCCCCCCCCCCO -6.3500 |
| Clc1cccc(Cl)c1c2c(Cl)cccc2Cl -7.3900 |
| O=C1NC(=O)NC(=O)C1(C)C -1.7420 |
| CC(C)I -2.0900 |
| O=N(=O)c1ccccc1N(=O)=O -3.1000 |
| CC(C)C(=O)C -0.1200 |
| CCCCCCCCCCCCCCCC -8.4000 |
| CC12CCC(CC1)C(C)(C)O2 -1.7400 |
| Cc2cccc3sc1nncn1c23 -2.0700 |
| CCCCCCC(=O)C -2.0500 |
| CCCCCCCCC(=O)OC -3.3800 |
| Fc1ccc(F)cc1 -1.9700 |
| O=C1N(C2CCC(=O)NC2=O)C(=O)c3ccccc13 -2.6760 |
| CCCN(CCC)c1c(cc(cc1N(=O)=O)C(F)(F)F)N(=O)=O -5.6800 |
| CCO 1.1000 |
| O=C2NC(=O)C1(CCCC1)C(=O)N2 -2.3490 |
| c1c(NC(=O)OC(C)C(=O)NCC)cccc1 -1.8300 |
| CC(C)=CC3C(C(=O)OCc2cccc(Oc1ccccc1)c2)C3(C)C -5.2400 |
| CN(C)C(=O)NC1CCCCCCC1 -2.2180 |
| ClC1(C2(Cl)C3(Cl)C4(Cl)C5(Cl)C1(Cl)C3(Cl)Cl)C5(Cl)C(Cl)(Cl)C24Cl -6.8000 |
| CCCCCCCCBr -5.0600 |
| CCCCNC(=O)n1c(NC(=O)OC)nc2ccccc12 -4.8830 |
| CN(C)c2c(C)n(C)n(c1ccccc1)c2=O -0.3640 |
| CCC(O)CC -0.2400 |
| Cc1ccc(cc1)N(=O)=O -2.4900 |
| CC(C)CCCO -1.1400 |
| CC34CCC1C(CCC2=CC(=O)CCC12O)C3CCC4(O)C#C -4.5700 |
| CC(C)OC(=O)C(O)(c1ccc(Br)cc1)c2ccc(Br)cc2 -4.9300 |
| Nc2cnn(c1ccccc1)c(=O)c2Cl -2.8780 |
| CCC(C)(C)O 0.1500 |
| Cc1ccc(O)cc1 -0.7300 |
| CCOC=O 0.1500 |
| CN(C)c1ccccc1 -1.9200 |
| C1CCC2CCCCC2C1 -5.1900 |
| CCCCS -2.1800 |
| c1ccc2c(c1)c3cccc4ccc5cccc2c5c43 -7.8000 |
| ClC(=C(Cl)Cl)Cl -2.5400 |
| CCC(=O)CC -0.2800 |
| C=CC#N 0.1500 |
| CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO -5.6130 |
| CCCCC(=O)C -0.8000 |
| CCNc1nc(NC(C)(C)C)nc(OC)n1 -3.2390 |
| CCCCC(C)CC -5.1600 |
| BrCCBr -1.6800 |
| CNC(=O)Oc1ccccc1C(C)C -2.8630 |
| O=C1NCCN1c2ncc(s2)N(=O)=O -3.2200 |
| C1c2ccccc2c3ccc4ccccc4c13 -6.6800 |
| COc1ccccc1Cl -2.4600 |
| COP(=S)(OC)Oc1cc(Cl)c(Br)cc1Cl -6.0900 |
| ClC(Cl)CC(=O)NC2=C(Cl)C(=O)c1ccccc1C2=O -5.0300 |
| ClC(Cl)C(c1ccc(Cl)cc1)c2ccc(Cl)cc2 -7.2000 |
| COC(=O)C=C -0.2200 |
| CN(C)C(=O)Nc2ccc(Oc1ccc(Cl)cc1)cc2 -4.8900 |
| N(=Nc1ccccc1)c2ccccc2 -4.4500 |
| CC(C)c1ccc(C)cc1 -3.7700 |
| Oc1c(Cl)cccc1Cl -1.7900 |
| OCC2OC(OC1(CO)OC(CO)C(O)C1O)C(O)C(O)C2O 0.7900 |
| OC1C(O)C(O)C(O)C(O)C1O 0.3500 |
| Cn2c(=O)n(C)c1ncn(CC(O)CO)c1c2=O -0.1700 |
| OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)N(=O)=O -2.1110 |
| CCC(O)(CC)CC -0.8500 |
| CC45CCC2C(CCC3CC1SC1CC23C)C4CCC5O -5.4100 |
| Brc1ccccc1Br -3.5000 |
| Oc1c(Cl)cc(Cl)cc1Cl -2.3400 |
| CCCN(CCC)c1c(cc(cc1N(=O)=O)S(N)(=O)=O)N(=O)=O -5.1600 |
| C2c1ccccc1N(CCF)C(=O)c3ccccc23 -4.7990 |
| CC(C)C(=O)C(C)C -1.3000 |
| O=C1NC(=O)NC(=O)C1(C(C)C)CC=C(C)C -2.5930 |
| c1c(O)C2C(=O)C3cc(O)ccC3OC2cc1(OC) -2.9430 |
| Cn1cnc2n(C)c(=O)n(C)c(=O)c12 -0.8760 |
| CC(=O)SC4CC1=CC(=O)CCC1(C)C5CCC2(C)C(CCC23CCC(=O)O3)C45 -4.1730 |
| Cc1ccc(O)cc1C -1.3800 |
| O(c1ccccc1)c2ccccc2 -3.9600 |
| Clc1cc(Cl)c(cc1Cl)c2cc(Cl)c(Cl)cc2Cl -8.5600 |
| NC(=O)c1cccnc1 0.6100 |
| Sc1ccccc1 -2.1200 |
| CNC(=O)Oc1cc(C)cc(C)c1 -2.5810 |
| ClC1CC2C(C1Cl)C3(Cl)C(=C(Cl)C2(Cl)C3(Cl)Cl)Cl -6.8600 |
| CSSC -1.4400 |
| NC(=O)c1ccccc1 -0.9600 |
| Clc1ccccc1Br -3.1900 |
| COC(=O)c1ccccc1OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O -0.7420 |
| CCCCC(O)CC -1.4700 |
| CCN2c1nc(C)cc(C)c1NC(=O)c3cccnc23 -4.5540 |
| Oc1cc(Cl)cc(Cl)c1 -1.3400 |
| Cc1cccc2c1ccc3ccccc32 -5.8500 |
| CCCCC(CC)CO -2.1100 |
| CC(C)N(C(C)C)C(=O)SCC(=CCl)Cl -4.2860 |
| Cc1ccccc1 -2.2100 |
| Clc1cccc(n1)C(Cl)(Cl)Cl -3.7600 |
| C1CCC=CCC1 -3.1800 |
| CN(C)C(=S)SSC(=S)N(C)C -3.9000 |
| COC1=CC(=O)CC(C)C13Oc2c(Cl)c(OC)cc(OC)c2C3=O -3.2460 |
| CCCCCCCCCCO -3.6300 |
| CCC(C)(C)CC -4.2300 |
| CNC(=O)C(C)SCCSP(=O)(OC)(OC) 1.1440 |
| Oc1cc(Cl)c(Cl)c(Cl)c1Cl -3.1500 |
| CCCC=O -0.0100 |
| CC4CC3C2CCC1=CC(=O)C=CC1(C)C2(F)C(O)CC3(C)C4(O)C(=O)COC(C)=O -4.9000 |
| CCCC -2.5700 |
| COc1ccccc1O -1.9600 |
| CC1CC2C3CCC(O)(C(=O)C)C3(C)CC(O)C2(F)C4(C)C=CC(=O)C=C14 -4.0990 |
| ClC(Cl)C(Cl)(Cl)Cl -2.6000 |
| CCOC(=O)c1ccccc1C(=O)OCC -2.3500 |
| CC(C)CO 0.1000 |
| CC(C)Cc1ccccc1 -4.1200 |
| ICI -2.3400 |
| CCCC(O)CCC -1.4000 |
| CCCCCOC(=O)C -1.8900 |
| Oc1c(Cl)c(Cl)cc(Cl)c1Cl -3.3700 |
| CCCc1ccccc1 -3.3700 |
| FC(F)(Cl)C(F)(F)Cl -2.7400 |
| CC=CC=O 0.3200 |
| CN(C)C(=O)N(C)C 0.9400 |
| Cc1cc(C)c(C)cc1C -4.5900 |
| CC(=O)OC3(CCC4C2CCC1=CC(=O)CCC1C2CCC34C)C#C -4.8000 |
| CCOP(=S)(OCC)N2C(=O)c1ccccc1C2=O -3.3500 |
| c1ccccc1NC(=O)c2c(O)cccc2 -3.5900 |
| CCN(CC)C(=S)SCC(Cl)=C -3.3900 |
| ClCC -1.0600 |
| CC(=O)Nc1cc(NS(=O)(=O)C(F)(F)F)c(C)cc1C -3.2400 |
| O=C(C=CC=Cc2ccc1OCOc1c2)N3CCCCC3 -3.4600 |
| CC/C=C\C -2.5400 |
| CNC(=O)ON=C(CSC)C(C)(C)C -1.6200 |
| O=C2NC(=O)C1(CCCCCCC1)C(=O)N2 -2.9820 |
| c1(C(C)(C)C)cc(C(C)(C)C)cc(OC(=O)NC)c1 -4.2400 |
| Oc2cc(O)c1C(=O)CC(Oc1c2)c3ccc(O)c(O)c3 -3.6200 |
| O=C(c1ccccc1)c2ccccc2 -3.1200 |
| CCCCCCCCCCCCCCCCCCCC -8.1720 |
| N(Nc1ccccc1)c2ccccc2 -2.9200 |
| CCC(CC)CO -1.1700 |
| Oc1ccncc1 1.0200 |
| Cl\C=C/Cl -1.3000 |
| CC1CCCC1 -3.3000 |
| CC(C)CC(C)O -0.8000 |
| O2c1ccc(N)cc1N(C)C(=O)c3cc(C)ccc23 -3.9280 |
| CC(C)(C)CO -0.4000 |
| CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2cncn2 -3.6100 |
| Cc1cc(no1)C(=O)NNCc2ccccc2 -2.4610 |
| CC=C -1.0800 |
| Oc1ccc(Cl)cc1Cc2cc(Cl)ccc2O -3.9530 |
| CCOC(=O)Nc2cccc(OC(=O)Nc1ccccc1)c2 -4.6320 |
| O=C1c2ccccc2C(=O)c3ccccc13 -5.1900 |
| CCCCCCC(C)O -2.0900 |
| CC1=C(C(=O)Nc2ccccc2)S(=O)(=O)CCO1 -2.2810 |
| CCCCc1ccccc1 -4.0600 |
| O=C1NC(=O)C(=O)N1 -0.4000 |
| COP(=S)(OC)Oc1ccc(Sc2ccc(OP(=S)(OC)OC)cc2)cc1 -6.2370 |
| NS(=O)(=O)c1cc(ccc1Cl)C2(O)NC(=O)c3ccccc23 -3.4510 |
| CC(C)COC(=O)C -1.2100 |
| CC(C)C(C)(C)C -4.3600 |
| Clc1ccc(c(Cl)c1Cl)c2c(Cl)cc(Cl)c(Cl)c2Cl -7.6600 |
| N#Cc1ccccc1C#N -2.3800 |
| Cc1cccc(c1)N(=O)=O -2.4400 |
| FC(F)(F)C(Cl)Br -1.7100 |
| CNC(=O)ON=C(SC)C(=O)N(C)C 0.1060 |
| CCSCCSP(=S)(OC)OC -3.0910 |
| CCC(C)C -3.1800 |
| COP(=O)(OC)OC(=CCl)c1cc(Cl)c(Cl)cc1Cl -4.5220 |
|
|
