0 B14R2.4640 CC1(C)CCNC2=CC(Br)=CC=C21 7944AA [0,0,0,0,0,0|2,0,0]=2 1 B13R2.3122 CC1(C)CCSC2=CC=CC=C21 Z2784 [1,0,0,0,0,0|1,0,0]=2 2 B13R2.3122 CC1(C)CNCC2=CC=CC=C21 2308AC [1,0,0,0,0,0|1,0,0]=2 3 B13R2.3122 CC1(C)NCCC2=CC=CC=C21 5722AB [1,0,0,0,0,0|1,0,0]=2 4 B13R2.5179 CC1=CC2=C(C=C1)C(=O)CCC2 3596AJ [1,0,0,0,0,0|1,0,1]=3 5 B13R2.5179 CC1=CC2=C(C=C1)C(=O)NCC2 1648AA [1,0,0,0,0,0|2,0,1]=4 6 B13R2.5179 CN1CCNC2=C1C=CC(Br)=C2 5236AC [1,0,0,0,0,0|3,0,0]=4 7 B13R2.5179 CN1CCOC2=CC(Br)=CC=C21 Y7632 [1,0,0,0,0,0|3,0,0]=4 8 B13R2.5179 NC1CCCC2=C1C=CC(Br)=C2 6114AA [1,0,0,0,0,0|2,0,0]=3 9 B13R2.5179 N[C@@H]1CCOC2=C1C=CC(F)=C2 5257AA [1,0,0,0,0,0|3,0,0]=4 10 B13R2.5179 N[C@H]1CCOC2=CC(F)=CC=C21 0514AA [1,0,0,0,0,0|3,0,0]=4 11 B15R2.7491 CC1(C)CC(=O)NC2=C1C=CC(Cl)=C2 Z9739 [0,1,0,0,0,0|2,0,1]=4 12 B15R2.7491 CC1(C)CC(=O)NC2=C1C=CC(F)=C2 V7242 [0,1,0,0,0,0|2,0,1]=4 13 B15R2.7491 CC1(C)CC(=O)NC2=CC(Br)=CC=C21 9690AA [0,1,0,0,0,0|2,0,1]=4 14 B13R1.149 CC(C)CCOC1=CC(N)=CC=C1 9070AC [0,0,1,0,0,0|2,0,0]=3 15 B13R1.149 CN(C)CCOC1=CC=CC(Br)=C1 5205AJ [0,0,1,0,0,0|3,0,0]=4 16 B13R1.149 CN(C)CCOC1=CC=CC(N)=C1 6093AD [0,0,1,0,0,0|3,0,0]=4 17 B13R2.3108 FC1=CC2=C(C=C1)C(F)(F)CC2 5919AE [0,0,0,0,1,0|3,0,0]=4 18 B12R1.9 CC(C)(CN)C1=CC=C(Cl)C=C1 Z6247 [1,0,1,0,0,0|2,0,0]=4 19 B12R1.9 CC(C)(CN)C1=CC=C(F)C=C1 2700AE [1,0,1,0,0,0|2,0,0]=4 20 B12R1.9 CC1=CC=C(C(C)(C)CN)C=C1 9751AE [1,0,1,0,0,0|1,0,0]=3 21 B12R1.9 CCC(C)(C)C1=CC=C(N)C=C1 0522AB [1,0,1,0,0,0|1,0,0]=3 22 B12R1.16 CC1=CC=C([C@H](N)CCO)C=C1 1218AL [1,0,1,0,0,0|2,0,0]=4 23 B12R1.16 CCCC(=O)C1=CC=C(C)C=C1 5727AB [1,0,1,0,0,0|1,0,1]=4 24 B12R1.39 CC(C)(CCN)C1=CC=CC=C1 2338AJ [1,0,1,0,0,0|1,0,0]=3 25 B12R1.28 CC1=CC(OCCCN)=CC=C1 8801AD [1,0,1,0,0,0|2,0,0]=4 26 B12R1.28 CCCCCC1=CC=CC(=O)O1 6874AL [1,0,1,0,0,0|2,0,0]=4 27 B12R1.28 CCCCOC1=CC=CC(N)=C1 7849AD [1,0,1,0,0,0|2,0,0]=4 28 B12R1.28 CCCNCC1=CC=CC(F)=C1 V8909 [1,0,1,0,0,0|2,0,0]=4 29 B12R1.28 CNCCOC1=CC(C)=CC=C1 8135AC [1,0,1,0,0,0|2,0,0]=4 30 B12R1.252 CC(C)CNCC1=CC=CC=C1 3705AL [1,0,1,0,0,0|1,0,0]=3 31 B12R1.252 CC(C)NCCC1=CC=CC=C1 2161AE [1,0,1,0,0,0|1,0,0]=3 32 B12R1.252 CC(N)CCCC1=CC=CC=C1 7584AD [1,0,1,0,0,0|1,0,0]=3 33 B12R1.283 CCOC1=C(C(C)N)C=CC=C1 6518AE [1,0,1,0,0,0|2,0,0]=4 34 B12R1.283 CCOC1=C(C(C)N)C=CC=C1 9071AC [1,0,1,0,0,0|2,0,0]=4 35 B12R1.195 CC(C)(CN)C1=CC=CC=C1Cl V2921 [1,0,1,0,0,0|2,0,0]=4 36 B12R1.195 CC(C)(CN)C1=CC=CC=C1F V2495 [1,0,1,0,0,0|2,0,0]=4 37 B12R1.1703 CC1=CC=C(C(N)CO)C(C)=C1 4966AH [1,0,1,0,0,0|2,0,0]=4 38 B12R2.1081 CC1CNCC2=C1C=CC=C2 1997AA [2,0,0,0,0,0|1,0,0]=3 39 B12R2.1081 CC1CNCC2=C1C=CC=C2 Z3889 [2,0,0,0,0,0|1,0,0]=3 40 B12R2.1081 NC1CCCC2=C1N=CC=C2 Z4574 [2,0,0,0,0,0|2,0,0]=4 41 B12R2.1081 NC1CCCC2=CC=NC=C21 3016AJ [2,0,0,0,0,0|2,0,0]=4 42 B12R2.1081 NC1CCCC2=NC=CC=C21 5780AH [2,0,0,0,0,0|2,0,0]=4 43 B12R2.1081 NC1CCNC2=CC=CC=C21 1769AC [2,0,0,0,0,0|2,0,0]=4 44 B12R2.1081 NC1CCNC2=CC=CC=C21 2501AC [2,0,0,0,0,0|2,0,0]=4 45 B12R2.1081 NC1CCOC2=CC=CC=C21 5088AC [2,0,0,0,0,0|2,0,0]=4 46 B12R2.1081 NC1CCSC2=C1C=CC=C2 V9257 [2,0,0,0,0,0|2,0,0]=4 47 B12R2.1081 NC1COCC2=C1C=CC=C2 2575AA [2,0,0,0,0,0|2,0,0]=4 48 B12R2.1081 NC1COCC2=C1C=CC=C2 W3221 [2,0,0,0,0,0|2,0,0]=4 49 B12R2.1081 NN1CCCC2=C1C=CC=C2 6035AE [2,0,0,0,0,0|2,0,0]=4 50 B12R2.1081 N[C@@H]1CCCC2=CC=CC=C21 B572 [2,0,0,0,0,0|1,0,0]=3 51 B12R2.1081 N[C@@H]1CCOC2=CC=CC=C21 0758AB [2,0,0,0,0,0|2,0,0]=4 52 B12R2.1081 N[C@H]1CCCC2=C1N=CC=C2 4707AB [2,0,0,0,0,0|2,0,0]=4 53 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 2977AH [2,0,0,0,0,0|2,0,0]=4 54 B12R2.1081 OC1CNCC2=CC=CC=C21 9571AH [2,0,0,0,0,0|2,0,0]=4 55 B12R2.1081 OC1COCC2=CC=CC=C21 0698AB [2,0,0,0,0,0|2,0,0]=4 56 B12R2.1081 O[C@@H]1CCCC2=CC=CC=C21 1543AB [2,0,0,0,0,0|1,0,0]=3 57 B12R2.24 BrC1=CC2=C(C=C1)CCCC2 9184AB [2,0,0,0,0,0|1,0,0]=3 58 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 X9385 [2,0,0,0,0,0|2,0,0]=4 59 B12R2.24 BrC1=CC2=C(C=C1)COCC2 W3968 [2,0,0,0,0,0|2,0,0]=4 60 B12R2.24 CC1=CC2=C(C=C1)CNCC2 5932AB [2,0,0,0,0,0|1,0,0]=3 61 B12R2.24 CC1=CC2=C(C=C1)OCCN2 1096AC [2,0,0,0,0,0|2,0,0]=4 62 B12R2.24 CC1=CC=C2CCNCC2=C1 2952AE [2,0,0,0,0,0|1,0,0]=3 63 B12R2.24 CC1=CC=C2CNCCC2=C1 6012AH [2,0,0,0,0,0|1,0,0]=3 64 B12R2.24 CC1=NC2=C(C=C1)CCCN2 Y8529 [2,0,0,0,0,0|2,0,0]=4 65 B12R2.24 ClC1=CC2=C(C=C1)NCCC2 W6526 [2,0,0,0,0,0|2,0,0]=4 66 B12R2.24 ClC1=CC2=C(C=N1)CCCC2 9837AL [2,0,0,0,0,0|2,0,0]=4 67 B12R2.24 FC1=CC2=C(C=C1)CCNC2 2483AC [2,0,0,0,0,0|2,0,0]=4 68 B12R2.24 FC1=CC2=C(C=C1)CCNC2 5533AB [2,0,0,0,0,0|2,0,0]=4 69 B12R2.24 FC1=CC2=C(C=C1)OCCC2 2700AC [2,0,0,0,0,0|2,0,0]=4 70 B12R2.24 FC1=CC=C2CNCCC2=C1 1328AB [2,0,0,0,0,0|2,0,0]=4 71 B12R2.24 N1CCCC2=C1C=C(C)C=C2 9836AL [2,0,0,0,0,0|1,0,0]=3 72 B12R2.24 NC1=CC2=C(C=C1)CCNC2 9574AH [2,0,0,0,0,0|2,0,0]=4 73 B12R2.24 NC1=CC2=C(C=C1)CNCC2 9209AA [2,0,0,0,0,0|2,0,0]=4 74 B12R2.24 NC1=CC2=C(CCCC2)N=C1 W3303 [2,0,0,0,0,0|2,0,0]=4 75 B12R2.24 O=C1C=CC2=C(CCCC2)N1 V6554 [2,0,0,0,0,0|2,0,0]=4 76 B12R2.24 OC1=CC2=C(C=C1)CCNC2 Y5086 [2,0,0,0,0,0|2,0,0]=4 77 B12R2.24 OC1=CC2=C(C=C1)CNCC2 W7258 [2,0,0,0,0,0|2,0,0]=4 78 B12R2.24 OC1=CC=C2CCNCC2=C1 0195AC [2,0,0,0,0,0|2,0,0]=4 79 B12R2.24 OC1=CC=C2CNCCC2=C1 9788AB [2,0,0,0,0,0|2,0,0]=4 80 B14R1.76 CN(C)CCOC1=CC=CC(CN)=C1 4192AD [0,1,1,0,0,0|2,0,0]=4 81 B14R1.687 CC1=C(N)C=CC(OCCC(C)C)=C1 4152AF [0,1,1,0,0,0|1,0,0]=3 82 B14R2.3459 NCC1(O)CCOC2=CC=CC=C21 7260AA [1,1,0,0,0,0|2,0,0]=4 83 B14R2.4536 CC1(C)CCOC2=C1C=C(Br)C=C2 3461AJ [1,1,0,0,0,0|1,0,0]=3 84 B14R2.8034 CC1(C)CCNC2=C(Br)C=CC=C21 3763AJ [1,1,0,0,0,0|1,0,0]=3 85 B14R2.8034 CC1(C)CCNC2=C(F)C=CC=C21 3787AJ [1,1,0,0,0,0|1,0,0]=3 86 B14R2.29285 CC1(C)CCC(=O)C2=C1C=CC=C2 X4898 [1,1,0,0,0,0|0,0,1]=3 87 B14R2.1801 CN1CCCC2=C1C=CC(C=O)=C2 4248AE [1,1,0,0,0,0|1,0,1]=4 88 B14R2.1801 CN1CCCC2=C1C=CC(CN)=C2 9880AE [1,1,0,0,0,0|1,0,0]=3 89 B14R2.1801 COC1=CC2=C(C=C1)C(N)CCC2 2382AE [1,1,0,0,0,0|1,0,0]=3 90 B16R2.7920 C=CC1(O)CCCC2=CC(OC)=CC=C21 3333AB [0,2,0,0,0,0|1,0,1]=4 91 B14R2.4398 CC1=CC=C(C2(O)CCNC2)C=C1 7919AE [0,0,1,1,0,0|2,0,0]=4 92 B12R1.226 CC(C)COC1=CC=CC(N)=C1 1907AE [0,0,1,0,1,0|2,0,0]=4 93 B12R1.226 CC(C)CSC1=CC(Br)=CC=C1 Z8144 [0,0,1,0,1,0|2,0,0]=4 94 B12R2.612 CC1=CC2=C(C=C1)C(O)CC2 3976AB [1,0,0,0,1,0|1,0,0]=3 95 B12R2.612 CN1CCC2=C1C=CC(N)=C2 9928AH [1,0,0,0,1,0|2,0,0]=4 96 B12R2.612 ClC1CCC2=C1C=CC(Br)=C2 7946AA [1,0,0,0,1,0|2,0,0]=4 97 B12R2.612 NC1CCC2=C1C=CC(Cl)=C2 3412AA [1,0,0,0,1,0|2,0,0]=4 98 B12R2.612 N[C@@H]1CCC2=C1C=CC(Br)=C2 8358AH [1,0,0,0,1,0|2,0,0]=4 99 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 5041AC [1,0,0,0,1,0|2,0,0]=4 100 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 5425AC [1,0,0,0,1,0|2,0,0]=4 101 B14R1.148 CN(C)CCCOC1=CC=CC(N)=C1 1963AJ [0,0,1,0,0,1|2,0,0]=4 102 B14R2.4493 CC1(C)CCC2=C(C=CC(N)=C2)O1 1317AJ [0,0,0,0,1,1|1,0,0]=3