0 B11R1.86 CC(=O)CC1=CC=CC=C1C 7072AB [0,0,0,0,0,0|3,0,1]=4 1 B11R1.86 CC(C)CC1=C(N)C=CC=C1 5195AJ [0,0,0,0,0,0|3,0,0]=3 2 B11R1.86 CC1=CC=CN=C1CC(C)O 9155AE [0,0,0,0,0,0|2,0,0]=2 3 B11R1.86 CN(C)CC1=C(F)C=CC=C1 1557AB [0,0,0,0,0,0|4,0,0]=4 4 B11R1.86 CN(C)CC1=C(N)C=CC=C1 9911AA [0,0,0,0,0,0|4,0,0]=4 5 B11R1.86 CN(C)CC1=C(O)C=CC=C1 8448AD [0,0,0,0,0,0|4,0,0]=4 6 B10R1.4 CC1=C(CCN)N=CC=C1 3182AC [1,0,0,0,0,0|2,0,0]=3 7 B10R1.4 CCCC1=C(Br)C=NC=N1 V9533 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.4 CCCC1=C(C)C=CC=C1 4903AL [1,0,0,0,0,0|2,0,0]=3 9 B10R1.4 CCNC1=C(N)C=CC=N1 0189AE [1,0,0,0,0,0|3,0,0]=4 10 B10R1.4 CCOC1=NC=CC=C1F 3378AC [1,0,0,0,0,0|3,0,0]=4 11 B10R1.4 CNCC1=C(C)C=CC=N1 1508AF [1,0,0,0,0,0|2,0,0]=3 12 B10R1.4 N#CCC1=NC=CN=C1Cl X0224 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.18 CC(=O)CC1=CN=CC=C1 9974AH [1,0,0,0,0,0|2,0,1]=4 14 B10R1.18 CC(=O)CC1=NC=CN=C1 0450AC [1,0,0,0,0,0|1,0,1]=3 15 B10R1.18 CC(C)CC1=CC=CC=N1 9571AB [1,0,0,0,0,0|1,0,0]=2 16 B10R1.18 CC(C)CC1=CC=NC=C1 6191AJ [1,0,0,0,0,0|3,0,0]=4 17 B10R1.18 CC(C)CC1=NC=CN=C1 R582 [1,0,0,0,0,0|0,0,0]=1 18 B10R1.18 CC(N)CC1=CC=CC=N1 4560AE [1,0,0,0,0,0|2,0,0]=3 19 B10R1.18 CC(N)CC1=CN=CC=N1 4220AC [1,0,0,0,0,0|1,0,0]=2 20 B10R1.18 CC(O)CC1=CC=CC=N1 5034AE [1,0,0,0,0,0|2,0,0]=3 21 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 7881AA [1,0,0,0,0,0|3,0,0]=4 22 B10R1.18 C[C@H](O)CC1=CC=CC=C1 7611AA [1,0,0,0,0,0|3,0,0]=4 23 B12R1.75 CC(C)NC1=C(C#N)C=CC=N1 V4922 [0,1,0,0,0,0|2,0,1]=4 24 B12R1.75 CC(C)OC1=CC=CC=C1CN W4641 [0,1,0,0,0,0|3,0,0]=4 25 B12R1.75 CC(C)OC1=NC=CC=C1C=O 1746AJ [0,1,0,0,0,0|2,0,1]=4 26 B12R1.75 CN(C)CC1=CC=CC=C1CN 0145AD [0,1,0,0,0,0|3,0,0]=4 27 B12R1.75 CN(C)CC1=CC=CC=C1CN V6458 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.124 CC1=CC=CN=C1C(=O)C(C)C Z8830 [0,1,0,0,0,0|1,0,1]=3 29 B12R1.127 CC(C)CC1=CC(Br)=CC=C1O 3594AC [0,1,0,0,0,0|3,0,0]=4 30 B12R1.127 CC(C)OC1=CC(Br)=CN=C1F Z0170 [0,1,0,0,0,0|3,0,0]=4 31 B12R1.127 CC1=CC=C(Br)C=C1OC(C)C Y3663 [0,1,0,0,0,0|3,0,0]=4 32 B12R1.233 CC(C)OC1=C(I)C=C(Br)C=N1 0530AF [0,1,0,0,0,0|3,0,0]=4 33 B12R1.233 CC(C)OC1=NC=C(Cl)C=C1Br Z0028 [0,1,0,0,0,0|3,0,0]=4 34 B12R1.233 CC1=CC(Br)=CC=C1OC(C)C Z0826 [0,1,0,0,0,0|3,0,0]=4 35 B12R1.233 CC1=CC(Br)=CN=C1OC(C)C Z0833 [0,1,0,0,0,0|2,0,0]=3 36 B12R1.371 CCC(C)NC1=C(N)C=CC=N1 7861AC [0,1,0,0,0,0|3,0,0]=4 37 B12R2.24 CN1CCC2=C(C=CC=C2)C1 8158AA [0,0,0,1,0,0|3,0,0]=4 38 B12R2.24 NC1CCC2=C(C=CC=C2)C1 W3803 [0,0,0,1,0,0|3,0,0]=4 39 B12R2.24 NC1CCC2=CC=CC=C2C1 3016AB [0,0,0,1,0,0|3,0,0]=4 40 B12R2.225 IC1=CC=CN=C1NC2CC2 Y8245 [0,0,0,1,0,0|3,0,0]=4 41 B12R2.225 NC1=CC=CN=C1NC2CC2 9789AJ [0,0,0,1,0,0|3,0,0]=4 42 B10R1.61 CC(C)C1=C(Br)C=NC=N1 V9534 [0,0,0,0,1,0|3,0,0]=4 43 B10R1.61 CC(C)C1=C(Cl)N=CN=C1 0417AA [0,0,0,0,1,0|3,0,0]=4 44 B10R1.61 CC(O)C1=CC=CN=C1N 9393AH [0,0,0,0,1,0|3,0,0]=4 45 B10R1.61 CC1=C(C(C)C)C=CC=C1 8715AL [0,0,0,0,1,0|2,0,0]=3 46 B10R1.61 CC1=C([C@@H](C)N)C=CC=C1 3317AC [0,0,0,0,1,0|3,0,0]=4 47 B10R1.61 CC1=CC=CN=C1C(C)N 9674AE [0,0,0,0,1,0|2,0,0]=3 48 B10R1.61 CC1=NC=CN=C1S(C)=O 7966AJ [0,0,0,0,1,0|2,0,0]=3 49 B10R1.61 CN(C)C1=C(N)C=CC=N1 4383AE [0,0,0,0,1,0|3,0,0]=4 50 B10R1.61 C[C@H](O)C1=CC=CN=C1N 5914AC [0,0,0,0,1,0|3,0,0]=4 51 B10R1.64 CC(C)CN1N=CC=C1N 4367AB [0,0,0,0,1,0|2,0,0]=3 52 B12R1.125 CC(C)CNC1=C(N)C=CC=N1 7592AC [0,0,0,0,0,1|2,0,0]=3 53 B12R1.125 CC(C)COC1=CC=CC=C1N 3123AD [0,0,0,0,0,1|3,0,0]=4 54 B12R1.125 CC(C)SCC1=CC=CC=C1Br Z8854 [0,0,0,0,0,1|3,0,0]=4 55 B9R1.8 BrCCC1=CC=CC=N1 5125AB [2,0,0,0,0,0|2,0,0]=4 56 B9R1.8 CCNC1=NC=CN=C1 Z2415 [2,0,0,0,0,0|1,0,0]=3 57 B9R1.8 CNCC1=CC=CC=N1 7146AD [2,0,0,0,0,0|2,0,0]=4 58 B9R1.8 CNCC1=NC=CN=C1 X9439 [2,0,0,0,0,0|1,0,0]=3 59 B9R1.8 ClCCC1=NC=CC=C1 X6257 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.8 NCCC1=CC=CN=C1 5033AC [2,0,0,0,0,0|2,0,0]=4 61 B9R1.8 NCCC1=CN=CC=N1 1878AJ [2,0,0,0,0,0|1,0,0]=3 62 B9R1.8 NCCC1=NC=CN=C1 Y9352 [2,0,0,0,0,0|1,0,0]=3 63 B9R1.8 OCCC1=NC=CN=C1 Z5014 [2,0,0,0,0,0|1,0,0]=3 64 B9R1.15 CC1=C(NN)N=CC=N1 0201AB [2,0,0,0,0,0|2,0,0]=4 65 B9R1.15 CC1=CC=CN=C1CBr Y9115 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.15 CC1=CC=CN=C1CO 0931AC [2,0,0,0,0,0|2,0,0]=4 67 B9R1.15 CC1=NC=CC=C1CCl 8680AB [2,0,0,0,0,0|2,0,0]=4 68 B9R1.15 CC1=NC=CN=C1CCl 2672AC [2,0,0,0,0,0|1,0,0]=3 69 B9R1.15 CC1=NC=CN=C1CO 8119AA [2,0,0,0,0,0|1,0,0]=3 70 B9R1.15 CCC1=CC=CC=C1C Z4941 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.15 CCC1=NC=CN=C1N 5741AC [2,0,0,0,0,0|1,0,0]=3 72 B9R1.15 CNC1=NC=CN=C1N Y6424 [2,0,0,0,0,0|2,0,0]=4 73 B9R1.15 CSC1=NC=CN=C1Cl 0040AP [2,0,0,0,0,0|2,0,0]=4 74 B9R1.15 ClCC1=NC=CN=C1Cl W6373 [2,0,0,0,0,0|2,0,0]=4 75 B11R1.17 CCCNC1=NC=CC=C1N 3687AE [1,1,0,0,0,0|2,0,0]=4 76 B11R1.17 CCCOC1=NC=CC=C1N 8654AB [1,1,0,0,0,0|2,0,0]=4 77 B11R1.17 CCNCC1=NC=CC=C1C 4242AF [1,1,0,0,0,0|1,0,0]=3 78 B11R1.182 CCNC1=NC(Br)=CN=C1N X9214 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.182 CCOC1=NC(Cl)=CN=C1N 4921AA [1,1,0,0,0,0|2,0,0]=4 80 B11R1.222 CCC(=O)C1=NC=CC=C1C V9138 [1,1,0,0,0,0|1,0,1]=4 81 B11R1.222 CC[C@@H](N)C1=CC=CC=C1C W8813 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.20 CC(C)OC1=CN=C(Cl)C=N1 1633AA [1,1,0,0,0,0|1,0,0]=3 83 B11R1.20 CC(C)OC1=NC=C(Cl)C=C1 Z0473 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.20 CC(C)OC1=NC=C(F)C=C1 Z9507 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.20 CC(C)OC1=NC=C(I)C=C1 Z1054 [1,1,0,0,0,0|2,0,0]=4 86 B11R1.36 CC(C)C(N)C1=CC=CC=C1 1780AB [1,1,0,0,0,0|2,0,0]=4 87 B11R1.36 CC(C)C(N)C1=CC=CC=N1 9319AH [1,1,0,0,0,0|1,0,0]=3 88 B11R1.36 CC(C)[C@H](O)C1=CC=CC=C1 N145 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.40 CC(CN)CC1=CC=CC=C1 2217AC [1,1,0,0,0,0|2,0,0]=4 90 B11R1.40 CC(CN)OC1=CC=CN=C1 2002AF [1,1,0,0,0,0|2,0,0]=4 91 B11R1.40 CNC(C)CC1=NC=CN=C1 3718AF [1,1,0,0,0,0|0,0,0]=2 92 B11R1.157 CC(C)NC1=NC(Br)=CC=C1 V8760 [1,1,0,0,0,0|2,0,0]=4 93 B11R1.157 CC(C)OC1=CC=CC(Br)=N1 V6058 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.157 CC1=CC=CC(CC(C)N)=N1 1063AC [1,1,0,0,0,0|2,0,0]=4 95 B11R1.157 CC1=CC=CC(CC(C)O)=N1 7595AE [1,1,0,0,0,0|2,0,0]=4 96 B11R1.53 CC(C)C1=CC=CC=C1CO 0808AB [0,1,0,0,1,0|2,0,0]=4 97 B11R1.53 CN(C)C1=C(CN)C=CC=N1 1429AE [0,1,0,0,1,0|2,0,0]=4 98 B11R1.87 CC1=C(C(C)(C)C)C=CC=C1 1688AL [0,1,0,0,1,0|2,0,0]=4 99 B11R1.156 CC1=NC=NC(Cl)=C1C(C)C 2636AC [0,1,0,0,1,0|2,0,0]=4 100 B11R1.166 CN(C)C1=NC=C(Br)N=C1Br W8724 [0,1,0,0,1,0|2,0,0]=4 101 B11R1.89 CC(C)C(N)C1=NC=CN1C 3457AF [0,1,0,0,1,0|1,0,0]=3 102 B11R1.645 CC1=CC(C)=NN1CC(C)N 3673AF [0,1,0,0,1,0|2,0,0]=4 103 B13R1.164 CC(C)COC1=NC=C(Br)C=C1Cl 3126AJ [0,1,0,0,0,1|2,0,0]=4 104 B13R1.164 CC1=CC(Br)=CN=C1OCC(C)C Z0016 [0,1,0,0,0,1|1,0,0]=3 105 B13R1.3787 CC1=C(OCC(C)C)C(N)=CC=C1 V2750 [0,1,0,0,0,1|2,0,0]=4 106 B13R1.91 CNC(C)CC1=CC=CC=C1OC 0320AQ [0,2,0,0,0,0|2,0,0]=4 107 B13R1.276 CC1=CC=CC=C1[C@@H](N)C(C)(C)C 0292AQ [0,2,0,0,0,0|2,0,0]=4 108 B13R1.876 CC1=NC(C)=C(CC(C)C)N=C1C 6355AB [0,2,0,0,0,0|0,0,0]=2 109 B13R1.335 COC(CC1=CC=CC=C1C)OC 1070AQ [0,2,0,0,0,0|2,0,0]=4 110 B11R2.20 C1=CC2=C(CCNC2)N=C1 W8563 [1,0,0,1,0,0|2,0,0]=4 111 B11R2.20 C1=CC2=C(CNCC2)N=C1 6451AA [1,0,0,1,0,0|2,0,0]=4 112 B11R2.20 C1=CC2=C(CNCC2)N=C1 Z4098 [1,0,0,1,0,0|2,0,0]=4 113 B11R2.20 C1=CN=C2CCCOC2=C1 8439AE [1,0,0,1,0,0|2,0,0]=4 114 B11R2.55 FC1=NC=CC=C1C2CC2 Y3884 [1,0,0,1,0,0|2,0,0]=4 115 B11R2.1 NC1CCC2=C1N=CC=C2 9677AA [0,0,0,1,1,0|2,0,0]=4 116 B11R2.1 NC1CCC2=CC=CN=C21 3374AJ [0,0,0,1,1,0|2,0,0]=4 117 B11R2.1 O[C@H]1CCC2=CC=CN=C21 4628AC [0,0,0,1,1,0|2,0,0]=4 118 B11R2.36 CC1CCC2=NNC=C2C1 Z8633 [0,0,0,1,1,0|1,0,0]=3 119 B11R2.115 IC1=CC=NN1CC2CC2 Z9776 [0,0,0,1,1,0|2,0,0]=4 120 B13R2.222 CC1(C)CC2=CC=CC=C2CN1 7696AA [0,0,0,1,0,1|2,0,0]=4 121 B13R2.155 CN1CCC2=C(C=C(N)C=N2)C1 W4499 [0,1,0,1,0,0|2,0,0]=4 122 B13R2.57 CNC1CCC2=CC=CC=C2C1 1367AB [0,1,0,1,0,0|2,0,0]=4 123 B13R2.57 NCC1CCC2=CC=CC=C2C1 4602AH [0,1,0,1,0,0|2,0,0]=4 124 B9R1.33 CC1=C(CCCl)SC=N1 9622AJ [1,0,0,0,1,0|2,0,0]=4 125 B9R1.33 CC1=C(CCN)SC=N1 Y5478 [1,0,0,0,1,0|2,0,0]=4 126 B9R1.33 CC1=CC=NN1CCO 3041AE [1,0,0,0,1,0|2,0,0]=4 127 B9R1.33 CC1=NC=CN1CCBr 0199AF [1,0,0,0,1,0|2,0,0]=4 128 B9R1.33 CN1C=CN=C1CCN X3600 [1,0,0,0,1,0|2,0,0]=4 129 B9R1.33 CNCC1=C(C)C=CS1 3445AC [1,0,0,0,1,0|2,0,0]=4 130 B9R1.33 CNCC1=C(C)C=CS1 V8159 [1,0,0,0,1,0|2,0,0]=4 131 B9R1.33 CNCC1=NC=CN1C 7296AE [1,0,0,0,1,0|2,0,0]=4 132 B9R1.33 CNCC1=NON=C1C 0386AD [1,0,0,0,1,0|2,0,0]=4 133 B9R1.33 CNCC1=NON=C1C 8744AB [1,0,0,0,1,0|2,0,0]=4 134 B9R1.6 CC(Cl)C1=NC=CN=C1 Z2354 [1,0,0,0,1,0|1,0,0]=3 135 B9R1.6 CN(C)C1=NC=CC=C1 8318AB [1,0,0,0,1,0|2,0,0]=4 136 B9R1.6 CN(N)C1=CN=CC=N1 1013AJ [1,0,0,0,1,0|2,0,0]=4 137 B9R1.6 C[C@@H](N)C1=CC=CC=N1 6298AA [1,0,0,0,1,0|2,0,0]=4 138 B9R1.6 C[C@@H](N)C1=CC=CN=C1 8353AH [1,0,0,0,1,0|2,0,0]=4 139 B9R1.13 CC(C)CN1C=CC=N1 Z0808 [1,0,0,0,1,0|1,0,0]=3 140 B9R1.13 CC(N)CC1=CC=CO1 8493AB [1,0,0,0,1,0|2,0,0]=4 141 B9R1.13 CC(N)CN1C=CN=C1 5070AH [1,0,0,0,1,0|2,0,0]=4 142 B9R1.13 CC(N)CN1C=NC=N1 1709AF [1,0,0,0,1,0|2,0,0]=4 143 B9R1.13 CC(O)CC1=CC=CO1 6519AJ [1,0,0,0,1,0|2,0,0]=4 144 B9R1.13 CN(C)CC1=CC=CS1 2203AB [1,0,0,0,1,0|2,0,0]=4 145 B9R1.41 CC(C)C1=NC=CN1C 1354AB [0,0,0,0,2,0|1,0,0]=3 146 B9R1.41 CC(C)N1C=CN=C1Cl Y5158 [0,0,0,0,2,0|2,0,0]=4 147 B9R1.41 CC(C)N1N=CC=C1I Z9781 [0,0,0,0,2,0|2,0,0]=4 148 B9R1.41 CC(C)N1N=CC=C1N 4366AB [0,0,0,0,2,0|2,0,0]=4