0 B14R1.160 C\C(=N/NC(N)=O)C1=CC=CC=C1O S10164 [0,0,0,0,0,0|4,0,0]=4 1 B14R1.160 O=C(O)CNC(=O)C1=CC=CC=C1Cl RJC02443 [0,0,0,0,0,0|2,0,0]=2 2 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 EN00044 [1,0,0,0,0,0|3,0,0]=4 3 B13R1.45 NC(=O)CNC(=O)C1=CC=CC=C1 RJC02447 [1,0,0,0,0,0|2,0,0]=3 4 B13R1.45 O=C(O)CSC(=S)C1=CC=CC=C1 S01990 [1,0,0,0,0,0|1,1,0]=3 5 B13R1.158 O=C(O)CCNC1=CC=CC=C1Cl RH00850 [1,0,0,0,0,0|2,0,0]=3 6 B15R1.5815 COC(=O)CNC(=O)C1=C(Br)C=NC=C1 SPB08355 [0,1,0,0,0,0|3,0,0]=4 7 B15R1.8020 O=C(O)CNS(=O)(=O)C1=CC=CC=C1I JFD00838 [0,1,0,0,0,0|3,0,0]=4 8 B15R1.8312 O=C(O)CNC(=O)C1=C(F)C=CC=C1F BTB02520 [0,1,0,0,0,0|2,0,0]=3 9 B15R1.8420 CC1=CC=C(C)C(C(=O)\C=C\C(=O)O)=C1 XAX00030 [0,1,0,0,0,0|1,0,2]=4 10 B15R2.6 CC(=O)CCC1=CNC2=C1C=CC=C2 NRB02761 [0,0,0,1,0,0|3,0,0]=4 11 B15R2.629 CC1=C(CC(=O)O)SC2=C1C=CC=C2 MWP00120 [0,0,0,1,0,0|1,1,1]=4 12 B15R1.256 CC1=C(NC(=O)\C=C\C(=O)O)C=CC=C1 S05218 [0,0,0,0,0,1|1,0,2]=4 13 B15R1.256 O=C(O)CCC(=O)NC1=C(F)C=CC=C1 RDR01042 [0,0,0,0,0,1|1,0,0]=2 14 B15R1.256 O=C(O)\C=C\C(=O)NC1=C(F)C=CC=C1 RJC04025 [0,0,0,0,0,1|1,0,2]=4 15 B15R1.256 O=C(O)\C=C\C(=O)NC1=CC=CC=C1Br S04787 [0,0,0,0,0,1|1,0,2]=4 16 B15R1.256 O=C(O)\C=C\C(=O)NC1=CC=CC=C1Cl S02046 [0,0,0,0,0,1|1,0,2]=4 17 B12R1.252 O=C(O)CCCC1=CC=CC=C1 SB02007 [2,0,0,0,0,0|0,0,1]=3 18 B12R1.252 O=C(O)CCOC1=CC=CC=C1 RJC00749 [2,0,0,0,0,0|1,0,0]=3 19 B12R1.252 O=C(O)CCSC1=CC=CC=C1 JFD00825 [2,0,0,0,0,0|1,0,0]=3 20 B12R1.252 O=C(O)CSCC1=CC=CC=C1 CD04055 [2,0,0,0,0,0|1,0,1]=4 21 B14R1.149 CC1=CC(C(=O)NCC(=O)O)=CC=C1 RH01715 [1,1,0,0,0,0|1,0,0]=3 22 B14R1.149 NC(=O)CNC(=O)C1=CC(Cl)=CC=C1 RJC02452 [1,1,0,0,0,0|2,0,0]=4 23 B14R1.149 O=C(O)CNC(=O)C1=CC(Cl)=CC=C1 PHG00472 [1,1,0,0,0,0|1,0,0]=3 24 B14R1.163 COC(=O)CNC(=O)C1=CC=CC=C1 RDP00222 [1,1,0,0,0,0|1,0,0]=3 25 B14R1.163 NNC(=O)CNC(=O)C1=CC=CC=C1 JFD02006 [1,1,0,0,0,0|2,0,0]=4 26 B14R1.415 CC(NC(=O)C1=CC=CC=C1)C(=O)O S07576 [1,1,0,0,0,0|1,0,0]=3 27 B14R1.678 CC(=O)OCC(=O)C1=CC=C(Br)C=C1 TL00561 [1,1,0,0,0,0|2,0,0]=4 28 B14R1.678 CC1=CC=C(C(=O)CCC(=O)O)C=C1 TL00153 [1,1,0,0,0,0|0,0,0]=2 29 B14R1.678 CC1=CC=C(C(=O)NCC(=O)O)C=C1 PHG00643 [1,1,0,0,0,0|1,0,0]=3 30 B14R1.678 CC1=CC=C(C(=O)\C=C\C(=O)O)C=C1 XAX00028 [1,1,0,0,0,0|0,0,2]=4 31 B14R1.678 NC(=O)CNC(=O)C1=CC=C(Cl)C=C1 RJC02448 [1,1,0,0,0,0|2,0,0]=4 32 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Br)C=C1 RH00893 [1,1,0,0,0,0|0,0,0]=2 33 B14R1.678 O=C(O)CCC(=O)C1=CC=C(Cl)C=C1 RH00125 [1,1,0,0,0,0|0,0,0]=2 34 B14R1.678 O=C(O)CNC(=O)C1=CC=C(Br)C=C1 JFD01985 [1,1,0,0,0,0|1,0,0]=3 35 B14R1.678 O=C(O)CNC(=O)C1=CC=C(Cl)C=C1 S11521 [1,1,0,0,0,0|1,0,0]=3 36 B14R1.813 CC(=O)CCS(=O)(=O)C1=CC=CC=C1 FM00330 [1,1,0,0,0,0|2,0,0]=4 37 B14R1.161 CC(NCC1=C(O)C=CC=C1)C(=O)O RH00576 [1,1,0,0,0,0|1,0,1]=4 38 B14R1.4464 O=C(O)CCOC1=CC=C(F)C=C1F SEW05376 [1,1,0,0,0,0|2,0,0]=4 39 B16R1.85 O=C(O)CCC(=O)NC1=C(Cl)C(Cl)=CC=C1 RDR01139 [0,1,0,0,0,1|1,0,0]=3 40 B16R1.1369 COC1=C(NC(=O)\C=C/C(=O)O)C=CC=C1 S01337 [0,1,0,0,0,1|0,0,2]=4 41 B16R1.7488 CC1=C(NC(=O)CCC(=O)O)C=C(Cl)C=C1 S11551 [0,1,0,0,0,1|1,0,0]=3 42 B16R1.11390 CC1=C(NC(=O)CCC(=O)O)C=CC(F)=C1 RH01205 [0,1,0,0,0,1|1,0,0]=3 43 B16R1.11390 O=C(O)CCC(=O)NC1=CC=C(F)C=C1F S11581 [0,1,0,0,0,1|1,0,0]=3 44 B16R1.5624 CCOC(=O)CNC(=O)C1=CC=CC=C1Cl RJC02442 [0,2,0,0,0,0|2,0,0]=4 45 B14R1.423 O=C(O)CCC(=O)NC1=CC=CC=C1 RH01868 [0,0,1,1,0,0|2,0,0]=4 46 B14R1.423 O=C(O)CCC(=O)NC1=CC=CC=N1 S14590 [0,0,1,1,0,0|2,0,0]=4 47 B14R2.68 O=C1CCC(C2=CC=CC=C2)=NN1 RH00053 [1,0,0,1,0,0|2,0,0]=4 48 B14R2.287 O=C1CNC(=O)C2=CC=CC=C2N1 BTB01794 [1,0,0,1,0,0|2,0,0]=4 49 B14R2.25733 O=C1CC(C(=O)O)C2=C1C=CC=C2 BTB10091 [1,0,0,1,0,0|0,0,0]=2 50 B14R2.29285 O=C1CCS(=O)(=O)C2=CC=CC=C12 CD03987 [1,0,0,1,0,0|1,0,1]=4 51 B14R2.781 O=C(O)C1CCC2=CC=CC=C2C1 BTB10042 [1,0,0,1,0,0|1,0,1]=4 52 B14R2.781 O=C(O)C1CCC2=CC=CC=C2O1 RJC01246 [1,0,0,1,0,0|0,0,1]=3 53 B14R2.781 O=C(O)C1COC2=CC=CC=C2O1 CC01501 [1,0,0,1,0,0|1,0,0]=3 54 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 RH01882 [0,0,0,1,1,0|2,0,0]=4 55 B14R2.2 O=C(O)CC1=CSC2=C1C=CC=C2 S11080 [0,0,0,1,1,0|1,1,0]=4 56 B14R2.2 O=C(O)CC1=NOC2=CC=CC=C21 KM10833 [0,0,0,1,1,0|1,0,0]=3 57 B14R2.52 O=C1COC2=CC=CC=C2C(=O)N1 BTB12993 [0,0,0,1,1,0|2,0,0]=4 58 B16R2.3989 O=C(O)CC1SC2=C(C=CC=C2)NC1=O S11679 [0,0,0,1,0,1|0,1,0]=3 59 B16R2.36 O=C(O)CCCC1=CNC2=C1C=CC=C2 SB02058 [0,0,0,1,0,1|2,0,0]=4 60 B16R2.3270 O=C(O)C1CSC(C2=CC=CC=C2O)N1 RJC02835 [0,0,0,1,0,1|1,0,1]=4 61 B16R2.3270 [C@@H]1(C(=O)O)CSC(C2=C(O)C=CC=C2)N1 NRB04462 [0,0,0,1,0,1|1,0,1]=4 62 B16R2.12 NC(CC1=CNC2=CC=CC=C12)C(=O)O RH01445 [0,1,0,1,0,0|2,0,0]=4 63 B16R2.12 [C@H](N)(CC1=CNC2=C1C=CC=C2)C(=O)O SB01750 [0,1,0,1,0,0|2,0,0]=4 64 B16R2.126928 O=C(O)C1=CC(=O)C2=C(O)C=CC=C2O1 BTB09995 [0,1,0,1,0,0|0,0,2]=4 65 B16R2.23501 CC1=CC=C2OC(C(=O)O)=CC(=O)C2=C1 JFD02319 [0,1,0,1,0,0|0,0,2]=4 66 B16R2.4003 O=C(O)CCN1C(=O)OC2=CC=CC=C21 SPB02696 [0,1,0,1,0,0|1,0,0]=3 67 B12R1.54 CC(=O)CCC(=O)C1=CC=CO1 SEW06316 [1,0,0,0,1,0|2,0,0]=4 68 B12R1.54 CC(=O)CCC(=O)C1=CC=CS1 SEW06323 [1,0,0,0,1,0|2,0,0]=4 69 B12R1.54 O=C(O)CCC(=O)C1=CC=CS1 BTB10644 [1,0,0,0,1,0|1,0,0]=3 70 B12R1.54 O=C(O)CNC(=O)C1=CC=CS1 RJC02457 [1,0,0,0,1,0|2,0,0]=4 71 B12R1.107 NC(=O)CC(=O)C1=CC=CC=C1 CD06497 [1,0,0,0,1,0|1,0,0]=3 72 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 RH01533 [1,0,0,0,1,0|1,0,1]=4 73 B14R1.420 O=C(O)\C=N\NC(=O)C1=CC=CC=C1 RJC03266 [1,0,0,0,0,1|1,0,1]=4 74 B16R1.7414 O=C(O)CSCC(=O)NC1=CC=CC=C1Cl S10513 [0,0,0,0,0,2|1,0,0]=3