0 B13R1.3787 CC1=CC=CC(=C1OCC(=O)O)C S947865 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.125 C=C(C)COC1=CC=CC=C1Cl PH007539 [1,0,0,0,0,0|2,0,1]=4 2 B12R1.125 C=C(C)CSC1=CC=CC=C1C S722219 [1,0,0,0,0,0|1,1,1]=4 3 B12R1.125 CC(=O)COC1=C(C=CC=C1)Br OTV000351 [1,0,0,0,0,0|2,0,1]=4 4 B12R1.125 CC(O)COC1=CC=CC=C1Cl PH006972 [1,0,0,0,0,0|2,0,0]=3 5 B12R1.125 CC1=C(C=CC=C1)OCC(=S)N OTV000238 [1,0,0,0,0,0|1,0,1]=3 6 B12R1.125 CC1=C(C=CC=C1)OCC(C)O PH016252 [1,0,0,0,0,0|1,0,0]=2 7 B12R1.125 CC1=CC=CC=C1CNC(C)C CDS011840 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.125 CC1=CC=CC=C1OCC(=O)N R715522 [1,0,0,0,0,0|1,0,1]=3 9 B12R1.125 NC(=O)COC1=C(C=CC=C1)Cl S80781 [1,0,0,0,0,0|2,0,1]=4 10 B12R1.125 NC(=O)COC1=C(C=CC=C1)O CDS020826 [1,0,0,0,0,0|2,0,1]=4 11 B12R1.1631 CC1=CC=CC(=C1NCC#N)C PH007654 [1,0,0,0,0,0|1,0,2]=4 12 B12R1.1631 CC1=CC=CC(=C1NCCN)C PH002687 [1,0,0,0,0,0|1,0,0]=2 13 B12R1.1631 CC1=CC=CC(=C1OCC#N)C PH000526 [1,0,0,0,0,0|0,0,2]=3 14 B12R1.1631 CC1=CC=CC(=C1OCCN)C OTV000226 [1,0,0,0,0,0|0,0,0]=1 15 B12R1.1631 CC1=CC=CC(=C1OCCN)C R414344 [1,0,0,0,0,0|0,0,0]=1 16 B12R1.1631 NCCCC1=C(C=CC=C1F)F CDS022487 [1,0,0,0,0,0|3,0,0]=4 17 B12R1.1631 OCCOC1=C(C=CC=C1Cl)Cl S597325 [1,0,0,0,0,0|3,0,0]=4 18 B14R1.3152 CC1=CC(=C(C(=C1)C)OCC(=O)O)C S236055 [0,1,0,0,0,0|2,0,1]=4 19 B14R1.5971 CC1=CC=CC(=C1NC(=O)C(C)Br)C S234656 [0,1,0,0,0,0|2,0,1]=4 20 B14R1.5971 CC1=CC=CC(=C1NC(=O)C(C)C)C S377295 [0,1,0,0,0,0|2,0,1]=4 21 B14R1.5971 CC1=CC=CC(=C1NC(=O)[C@H](C)N)C PH017244 [0,1,0,0,0,0|1,0,1]=3 22 B14R1.6054 CC1=C(C(=C(C=C1)C)OCC(=O)O)C OTV000037 [0,1,0,0,0,0|2,0,1]=4 23 B14R1.19598 CC1=C(C(=CC=C1)Cl)OCC(O)CO S752053 [0,1,0,0,0,0|2,0,0]=3 24 B14R2.717 FC1=CC=CC(=C1OCC2CO2)F PH017312 [0,0,0,1,0,0|3,0,0]=4 25 B12R1.1009 CC(=O)OC1=C(C=CC=C1C)C S240354 [0,0,0,0,1,0|1,0,1]=3 26 B12R1.1009 CC1=CC=CC(=C1NC(=S)N)C S862762 [0,0,0,0,1,0|2,0,1]=4 27 B12R1.1009 CN(N)CC1=C(C=CC=C1Cl)Cl PH007582 [0,0,0,0,1,0|3,0,0]=4 28 B11R1.17 C=CCOC1=CC=CC=C1C S432911 [2,0,0,0,0,0|0,0,2]=4 29 B11R1.17 CC1=C(C=CC=C1)NCCN PH010276 [2,0,0,0,0,0|1,0,0]=3 30 B11R1.17 CC1=C(C=CC=C1)OCC#N S84612 [2,0,0,0,0,0|0,0,2]=4 31 B11R1.17 CC1=C(C=CC=C1)OCCN R414298 [2,0,0,0,0,0|0,0,0]=2 32 B11R1.17 CC1=C(N=CC=C1)NCCN CBR01323 [2,0,0,0,0,0|2,0,0]=4 33 B11R1.17 CC1=CC=CC=C1OCCN OTV000147 [2,0,0,0,0,0|0,0,0]=2 34 B11R1.17 CCCCC1=C(C=CC=C1)N CDS000462 [2,0,0,0,0,0|2,0,0]=4 35 B11R1.17 CCCOC1=CC=CC=C1N CDS014846 [2,0,0,0,0,0|1,0,0]=3 36 B11R1.17 CCCOC1=CC=CN=C1N OTV000742 [2,0,0,0,0,0|2,0,0]=4 37 B11R1.17 CCCSC1=CC=CC=C1N PH000487 [2,0,0,0,0,0|1,1,0]=4 38 B11R1.17 COCOC1=CC=CC=C1Br CBR01868 [2,0,0,0,0,0|2,0,0]=4 39 B11R1.17 NCCCC1=C(C=CC=C1)F CBR02360 [2,0,0,0,0,0|2,0,0]=4 40 B11R1.17 NCCOC1=C(C=CC=C1)Cl R414425 [2,0,0,0,0,0|1,0,0]=3 41 B11R1.17 NCCOC1=CC=CC=C1F CBR00831 [2,0,0,0,0,0|1,0,0]=3 42 B11R1.91 CC(C)CSC1=CC=CC=C1 T286885 [2,0,0,0,0,0|1,1,0]=4 43 B11R1.91 CC(N)CCC1=CC=CC=C1 S363766 [2,0,0,0,0,0|1,0,0]=3 44 B11R1.91 CC(N)COC1=CC=CC=C1 PH011886 [2,0,0,0,0,0|0,0,0]=2 45 B11R1.91 CN(N)CCC1=CC=CC=C1 PH013245 [2,0,0,0,0,0|2,0,0]=4 46 B11R1.91 N=C(N)COC1=CC=CC=C1 PH014519 [2,0,0,0,0,0|1,0,1]=4 47 B11R1.91 NC(=S)COC1=CC=CC=C1 OTV000098 [2,0,0,0,0,0|1,0,1]=4 48 B11R1.605 CCOC1=C(C=CC=C1N)N S767417 [2,0,0,0,0,0|2,0,0]=4 49 B11R1.605 NCCC1=C(C=CC=C1F)F T151203 [2,0,0,0,0,0|2,0,0]=4 50 B13R1.90 CC(C)COC1=CC=CC=C1C=O CDS020892 [1,1,0,0,0,0|1,0,1]=4 51 B13R1.90 COC1=C(C=CC=C1)OCC(C)O PH011169 [1,1,0,0,0,0|1,0,0]=3 52 B13R1.90 COC1=CC=CC=C1CCC(C)N PH018528 [1,1,0,0,0,0|1,0,0]=3 53 B13R1.90 COC1=CC=CC=C1OCC(=N)N CBR01209 [1,1,0,0,0,0|1,0,1]=4 54 B13R1.164 CC1=CC(=CC=C1OCC(=O)N)Cl R631132 [1,1,0,0,0,0|1,0,1]=4 55 B13R1.528 CC1=C(C=CC=C1)OCC(O)CO S423300 [1,1,0,0,0,0|1,0,0]=3 56 B13R1.528 CC1=CC=CC=C1OC/C(=N/O)/N PH012692 [1,1,0,0,0,0|1,0,1]=4 57 B13R1.528 CC1=CC=CC=C1OCC(=O)NN R396877 [1,1,0,0,0,0|1,0,1]=4 58 B13R1.528 CC1=CC=CC=C1OCC(O)CN CDS016319 [1,1,0,0,0,0|1,0,0]=3 59 B13R1.528 OCC(O)COC1=CC=CC=C1Cl S752185 [1,1,0,0,0,0|2,0,0]=4 60 B13R1.528 OCC(O)COC1=CC=CC=C1F S751871 [1,1,0,0,0,0|2,0,0]=4 61 B13R1.1601 C#CCOC1=C(C=C(C=C1C)C)C CDS024027 [1,1,0,0,0,0|0,0,2]=4 62 B13R1.1601 CC1=CC(=CC(=C1OCC#N)C)Br OTV000127 [1,1,0,0,0,0|0,0,2]=4 63 B13R1.4928 CCC(=O)NC1=C(C=CC=C1C)C S791032 [1,1,0,0,0,0|1,0,1]=4 64 B13R1.4928 CNC(=O)OC1=C(C=CC=C1C)C PH009325 [1,1,0,0,0,0|1,0,1]=4 65 B13R1.8919 CC1=CC=CC(=C1OCCCBr)C PH000252 [1,1,0,0,0,0|0,0,0]=2 66 B13R1.8919 ClC1=CC=CC(=C1OCCCBr)Cl PH011049 [1,1,0,0,0,0|2,0,0]=4 67 B13R1.2808 CC(=O)OC1=C(C=C(C=C1C)Br)C OTV000040 [0,1,0,0,1,0|1,0,1]=4 68 B15R1.38791 CC1=CC(=C(C(=C1)C)OCC(O)CCl)C S377546 [0,2,0,0,0,0|1,0,0]=3 69 B15R1.38791 CC1=CC(=C(C(=C1)C)OCC(O)CO)C S377333 [0,2,0,0,0,0|1,0,0]=3 70 B13R2.33 CC1COC2=C(C=CC=C2)CN1 CDS024592 [1,0,0,1,0,0|0,0,0]=2 71 B13R2.3587 ClC1=CC=CC=C1OCC2CO2 PH000067 [1,0,0,1,0,0|2,0,0]=4 72 B13R2.3587 FC1=CC=CC=C1OCC2CO2 PH014798 [1,0,0,1,0,0|2,0,0]=4 73 B11R1.86 CC(C)OC1=CC=CC=C1N CDS002647 [1,0,0,0,1,0|2,0,0]=4 74 B11R1.86 CC1=C(C=CC=C1)CN(C)C T333018 [1,0,0,0,1,0|2,0,0]=4 75 B11R1.86 CN(N)CC1=CC=CC=C1Cl PH001191 [1,0,0,0,1,0|2,0,0]=4 76 B11R1.465 CCCCN1C(=CC=C1C)C S109886 [1,0,0,0,1,0|2,0,0]=4 77 B11R1.156 CC(=O)C1=C(C=CC=C1C)C PH014537 [0,0,0,0,2,0|1,0,1]=4 78 B13R1.158 CC1=CC=CC=C1OCCN(C)C PH012063 [1,0,0,0,0,1|2,0,0]=4 79 B15R1.8290 CC(=O)NCCOC1=C(C=CC=C1C)C R703702 [0,0,0,0,0,2|1,0,1]=4