0 B10R1.25 CC1=CC(C)=C(CBr)N=C1 8736AA [0,0,0,0,0,0|2,0,0]=2 1 B10R1.25 CC1=CC=C(C=O)C(N)=N1 Y4511 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.25 CC1=CC=C(CO)C(Cl)=N1 0639AC [0,0,0,0,0,0|3,0,0]=3 3 B10R1.25 CC1=CN=C(C#N)C(C)=C1 Y4016 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.25 CC1=NC(N)=C(CBr)C=N1 2088AB [0,0,0,0,0,0|4,0,0]=4 5 B10R1.25 CC1=NC(N)=C(CO)N=C1 3606AC [0,0,0,0,0,0|2,0,0]=2 6 B10R1.25 COC1=C(C)N=C(N)C=C1 7378AB [0,0,0,0,0,0|3,0,0]=3 7 B10R1.25 COC1=CC=C(C)C=C1F Z0570 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.25 COC1=CC=C(I)N=C1I 3576AE [0,0,0,0,0,0|4,0,0]=4 9 B10R1.25 COC1=NC=C(C)C=C1C W9915 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.25 COC1=NC=C(Cl)C=C1I 3329AD [0,0,0,0,0,0|4,0,0]=4 11 B10R1.25 COC1=NC=C(N)C=C1C X9137 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.25 NCC1=NC=C(Cl)C=C1F 4863AA [0,0,0,0,0,0|4,0,0]=4 13 B10R1.25 O=CC1=NC=C(Cl)N=C1Cl 6527AA [0,0,0,0,0,0|3,0,1]=4 14 B10R1.25 OCC1=CC=C(Cl)N=C1Br 4352AA [0,0,0,0,0,0|4,0,0]=4 15 B9R1.1 CC1=CC=C(CO)N=N1 3088AC [1,0,0,0,0,0|3,0,0]=4 16 B9R1.1 CC1=CN=C(CCl)N=C1 5238AA [1,0,0,0,0,0|3,0,0]=4 17 B9R1.1 CC1=CN=C(NN)C=N1 W3597 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.1 CC1=NC=C(CBr)C=N1 1051AC [1,0,0,0,0,0|3,0,0]=4 19 B9R1.1 CC1=NC=C(CCl)C=N1 5239AA [1,0,0,0,0,0|3,0,0]=4 20 B9R1.1 CC1=NC=C(CN)C=N1 6982AA [1,0,0,0,0,0|3,0,0]=4 21 B9R1.1 CCC1=CC=C(Cl)N=N1 2240AJ [1,0,0,0,0,0|3,0,0]=4 22 B9R1.1 CCC1=CN=C(Cl)C=C1 1065AA [1,0,0,0,0,0|2,0,0]=3 23 B9R1.1 CCC1=NC=C(Br)C=N1 W8957 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.1 CCC1=NC=C(C)C=C1 9500AA [1,0,0,0,0,0|1,0,0]=2 25 B9R1.1 COC1=CNC(=O)C=N1 6210AA [1,0,0,0,0,0|2,0,1]=4 26 B9R1.1 CSC1=CN=C(N)C=C1 2168AC [1,0,0,0,0,0|3,0,0]=4 27 B9R1.1 ClC1=CN=C(CBr)C=C1 9045AB [1,0,0,0,0,0|3,0,0]=4 28 B9R1.1 ClCC1=CN=C(Cl)C=N1 1322AA [1,0,0,0,0,0|2,0,0]=3 29 B9R1.1 FC1=NC=C(CBr)C=C1 Y6935 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.1 NCC1=CC=C(Br)N=C1 4185AA [1,0,0,0,0,0|3,0,0]=4 31 B9R1.1 NCC1=CN=C(Cl)C=C1 8881AH [1,0,0,0,0,0|3,0,0]=4 32 B9R1.1 NCC1=CN=C(N)C=C1 4936AD [1,0,0,0,0,0|3,0,0]=4 33 B9R1.15 CC1=NC=CC=C1CBr X4783 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.15 CC1=NC=CC=C1CO X2884 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.15 CC1=NC=CN=C1CO 8119AA [1,0,0,0,0,0|1,0,0]=2 36 B9R1.15 CCC1=CN=CN=C1O 3208AJ [1,0,0,0,0,0|3,0,0]=4 37 B9R1.15 CNC1=NC=CN=C1Cl 5057AE [1,0,0,0,0,0|2,0,0]=3 38 B9R1.15 CSC1=NC=CC=C1Cl Z1214 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.15 N#CC1=NC=CN=C1I Y1538 [1,0,0,0,0,0|2,0,1]=4 40 B9R1.15 NCC1=C(F)N=CC=C1 3392AC [1,0,0,0,0,0|3,0,0]=4 41 B9R1.15 NCC1=C(N)C=CC=N1 5249AJ [1,0,0,0,0,0|3,0,0]=4 42 B9R1.15 NCC1=CC=CN=C1N 4362AD [1,0,0,0,0,0|3,0,0]=4 43 B9R1.15 NCC1=NC=CN=C1N 5683AJ [1,0,0,0,0,0|2,0,0]=3 44 B9R1.69 CC1=C(Cl)N=CC(N)=N1 6250AB [1,0,0,0,0,0|2,0,0]=3 45 B9R1.69 CC1=C(I)C=CC(Br)=N1 5952AH [1,0,0,0,0,0|3,0,0]=4 46 B9R1.69 CC1=CC(C)=C(I)N=C1 6146AB [1,0,0,0,0,0|2,0,0]=3 47 B9R1.69 CC1=CC(F)=CN=C1I 6753AB [1,0,0,0,0,0|3,0,0]=4 48 B9R1.69 CC1=CC=C(C)C(Br)=N1 5008AH [1,0,0,0,0,0|2,0,0]=3 49 B9R1.69 CC1=CN=C(F)C(C)=C1 Y3683 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.69 CC1=CN=C(F)C(Cl)=C1 0761AA [1,0,0,0,0,0|3,0,0]=4 51 B9R1.69 CC1=CN=C(F)C(O)=C1 Y3761 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.69 CC1=NC(N)=C(Cl)C=C1 8342AB [1,0,0,0,0,0|3,0,0]=4 53 B9R1.69 CC1=NC(N)=C(S)C=C1 3971AB [1,0,0,0,0,0|3,0,0]=4 54 B9R1.69 NC1=C(S)N=C(Br)C=N1 0601AC [1,0,0,0,0,0|3,0,0]=4 55 B9R1.69 NC1=CN=C(Cl)C(N)=N1 2251AJ [1,0,0,0,0,0|3,0,0]=4 56 B11R1.37 COC1=C(C#N)C=C(C)C=N1 V3423 [0,1,0,0,0,0|2,0,1]=4 57 B11R1.37 COC1=C(CO)C=C(Cl)C=N1 1261AE [0,1,0,0,0,0|3,0,0]=4 58 B11R1.37 COC1=C(OC)N=C(Cl)C=C1 8546AC [0,1,0,0,0,0|3,0,0]=4 59 B11R1.37 COC1=C(OC)N=CC(N)=C1 Y3263 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.166 CC1=NC(Cl)=C(C(C)C)C=N1 7391AC [0,1,0,0,0,0|3,0,0]=4 61 B11R1.166 CC1=NC(N)=C(C(N)=O)N=C1 6986AB [0,1,0,0,0,0|2,0,1]=4 62 B11R1.277 CC1=NC(C)=C(C)N=C1CBr X7946 [0,1,0,0,0,0|1,0,0]=2 63 B11R1.277 CCC1=CC(N)=C(C)C=C1C Y1727 [0,1,0,0,0,0|2,0,0]=3 64 B11R1.277 CCC1=CC(N)=C(C)C=C1C Y1728 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.278 CC1=CNC(CN)=C(C)C1=O 8792AC [0,1,0,0,0,0|2,0,1]=4 66 B11R1.279 CCC1=CC=C(OC)C=C1O 2074AL [0,1,0,0,0,0|3,0,0]=4 67 B11R1.279 CCC1=NC(Cl)=C(CC)N=C1 0431AC [0,1,0,0,0,0|1,0,0]=2 68 B11R1.279 COC1=C(Cl)N=C(CO)C=C1 8878AH [0,1,0,0,0,0|3,0,0]=4 69 B11R1.279 COC1=CC(C)=C(C#N)N=C1 3250AJ [0,1,0,0,0,0|2,0,1]=4 70 B11R1.279 COC1=CC=C(CCl)C=C1C 9079AB [0,1,0,0,0,0|3,0,0]=4 71 B11R1.279 COC1=CC=C(CO)N=C1Br 5072AC [0,1,0,0,0,0|3,0,0]=4 72 B11R1.279 COC1=CN=C(OC)C(C)=C1 Z0104 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.279 COC1=NC(Cl)=C(CN)C=C1 1365AA [0,1,0,0,0,0|3,0,0]=4 74 B11R1.279 CSC1=C(C)C=C(C=O)C=N1 Z0025 [0,1,0,0,0,0|2,0,1]=4 75 B11R1.464 COC1=C(Cl)N=C(C)N=C1C 5434AA [0,1,0,0,0,0|3,0,0]=4 76 B11R2.36 CC1=CC2=C(CCC2)N=C1 2832AB [0,0,0,1,0,0|1,0,0]=2 77 B11R2.36 ClC1=CC=C2CNCC2=N1 Y6667 [0,0,0,1,0,0|3,0,0]=4 78 B11R2.36 ClC1=CN=C2CCCC2=C1 5171AA [0,0,0,1,0,0|2,0,0]=3 79 B11R2.36 NC1=CC2=C(C=C1)CCC2 2198AC [0,0,0,1,0,0|3,0,0]=4 80 B9R1.22 C#CC1=C(C)N=C(C)S1 3670AC [0,0,0,0,1,0|1,0,2]=4 81 B9R1.22 C=CC1=C(C)N=C(C)S1 0042AC [0,0,0,0,1,0|1,0,2]=4 82 B9R1.22 CC1=C(CN)SC(N)=N1 3143AC [0,0,0,0,1,0|3,0,0]=4 83 B9R1.22 CC1=CC(C#N)=C(C)N1 2272AB [0,0,0,0,1,0|1,0,2]=4 84 B9R1.22 CC1=NC(C)=C(CCl)O1 4153AC [0,0,0,0,1,0|2,0,0]=3 85 B9R1.22 CC1=NC(C=O)=C(C)O1 Y4728 [0,0,0,0,1,0|2,0,1]=4 86 B9R1.22 CC1=NN(C)C(CCl)=N1 3060AC [0,0,0,0,1,0|2,0,0]=3 87 B9R1.22 CC1=NN(C)C=C1C#N 3836AC [0,0,0,0,1,0|2,0,1]=4 88 B9R1.22 CCC1=C(Br)SC(Br)=C1 7529AB [0,0,0,0,1,0|3,0,0]=4 89 B9R1.22 CCC1=C(Br)SC(Cl)=N1 Z9465 [0,0,0,0,1,0|3,0,0]=4 90 B9R1.22 CCN1N=C(C)C=C1C 9243AA [0,0,0,0,1,0|2,0,0]=3 91 B9R1.22 CNC1=CC(C)=NN1C Z2924 [0,0,0,0,1,0|2,0,0]=3 92 B8R1.2 COC1=NC=CN=N1 2841AB [2,0,0,0,0,0|2,0,0]=4 93 B8R1.2 ClCC1=CC=CC=N1 V2306 [2,0,0,0,0,0|2,0,0]=4 94 B8R1.2 ClCC1=NC=CN=C1 Y8973 [2,0,0,0,0,0|1,0,0]=3 95 B8R1.2 NCC1=NC=CN=C1 9838AJ [2,0,0,0,0,0|1,0,0]=3 96 B8R1.2 OCC1=NC=CC=C1 D931 [2,0,0,0,0,0|2,0,0]=4 97 B8R1.5 CC1=NC=CC=C1O 9469AJ [2,0,0,0,0,0|2,0,0]=4 98 B8R1.4 FC1=CN=CC(F)=N1 0735AE [2,0,0,0,0,0|2,0,0]=4 99 B10R1.1 CC1=NC=C(CNN)C=C1 0436AA [1,1,0,0,0,0|2,0,0]=4 100 B10R1.1 CNCC1=CN=C(Cl)C=C1 9683AL [1,1,0,0,0,0|2,0,0]=4 101 B10R1.1 CSCC1=CN=C(Cl)C=C1 7608AC [1,1,0,0,0,0|2,0,0]=4 102 B10R1.1 NCCC1=CN=C(Br)C=C1 5186AC [1,1,0,0,0,0|2,0,0]=4 103 B10R1.1 NCCC1=CN=C(Cl)C=C1 7778AB [1,1,0,0,0,0|2,0,0]=4 104 B10R1.3 C=CC1=NC=C(CC)C=C1 7768AB [1,1,0,0,0,0|1,0,1]=4 105 B10R1.3 CCC1=CN=C(CC)C=N1 5968AA [1,1,0,0,0,0|0,0,0]=2 106 B10R1.3 CCC1=NC=C(NC)C=N1 9101AB [1,1,0,0,0,0|2,0,0]=4 107 B10R1.3 COC1=CN=C(CCl)C=C1 1704AC [1,1,0,0,0,0|2,0,0]=4 108 B10R1.13 CC1=CN=C(C(C)C)C=C1 1750AJ [1,1,0,0,0,0|1,0,0]=3 109 B10R1.13 CC1=NC=C(C(C)N)C=N1 1500AA [1,1,0,0,0,0|2,0,0]=4 110 B10R1.13 C[C@H](N)C1=NC=C(F)C=C1 Y6478 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.176 CC1=CN=C(CO)C=C1Cl 4080AC [1,1,0,0,0,0|2,0,0]=4 112 B10R1.176 CCC1=CC=C(O)C(C)=N1 X8291 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.176 COC1=CC=C(C)C(N)=N1 Y3282 [1,1,0,0,0,0|2,0,0]=4 114 B10R1.4 CCOC1=CC=CN=C1F Z0876 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.4 NC1=NC=CC=C1CCO 6447AC [1,1,0,0,0,0|2,0,0]=4 116 B10R1.4 NCCC1=C(F)C=CC=N1 1108AJ [1,1,0,0,0,0|2,0,0]=4 117 B10R1.20 COC1=NC=CC=C1CCl 8200AA [1,1,0,0,0,0|2,0,0]=4 118 B10R1.20 COC1=NC=CC=C1CCl Z3937 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.20 OCC1=C(CO)N=CC=C1 4897AB [1,1,0,0,0,0|2,0,0]=4 120 B10R1.20 OCC1=CC=CN=C1CO 5844AB [1,1,0,0,0,0|2,0,0]=4 121 B10R1.30 CCC1=C(C)C=CC(C)=C1 5606AL [1,1,0,0,0,0|2,0,0]=4 122 B10R1.30 CCC1=C(N)C=CC(Cl)=N1 5191AC [1,1,0,0,0,0|2,0,0]=4 123 B10R1.30 CNC1=NC(Br)=CN=C1N Y6292 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.30 NCC1=NC(Cl)=CN=C1N 2834AA [1,1,0,0,0,0|2,0,0]=4 125 B10R1.61 CC1=CC=CC=C1[C@@H](C)N X8767 [1,1,0,0,0,0|2,0,0]=4 126 B10R1.118 CC1=CC(Br)=C(C)N=C1Br 4926AH [1,1,0,0,0,0|2,0,0]=4 127 B10R1.118 CC1=CC(C)=C(N)N=C1N 4959AC [1,1,0,0,0,0|2,0,0]=4 128 B10R1.32 CCC1=C(CCl)SC(C)=N1 8846AC [0,1,0,0,1,0|1,0,0]=3 129 B10R1.32 CCC1=C(CN)SC(C)=N1 8931AC [0,1,0,0,1,0|1,0,0]=3 130 B10R1.34 CCC1=NN(C)C(N)=C1C 7140AD [0,1,0,0,1,0|2,0,0]=4 131 B10R1.34 CCN1N=C(C)C(N)=C1C 7083AE [0,1,0,0,1,0|2,0,0]=4 132 B10R1.130 CC1=NN(CCO)C(C)=N1 4933AE [0,1,0,0,1,0|1,0,0]=3 133 B10R1.130 CNCC1=C(C)OC(C)=N1 9387AH [0,1,0,0,1,0|1,0,0]=3 134 B10R1.130 CNCC1=CN(C)N=C1C 4190AF [0,1,0,0,1,0|1,0,0]=3 135 B10R1.256 CC1=NN(C)C(C)=C1CN 3116AD [0,1,0,0,1,0|2,0,0]=4 136 B10R1.94 CCOC1=NOC(C)=C1Br 8669AA [0,1,0,0,1,0|2,0,0]=4 137 B12R1.46 COC1=NC=C(C)C=C1C(C)=O 0930AD [0,2,0,0,0,0|2,0,0]=4 138 B12R1.78 COC1=C(OC)N=C(CN)C=C1 2056AA [0,2,0,0,0,0|2,0,0]=4 139 B12R1.78 COC1=C(OC)N=CC(CO)=C1 9117AC [0,2,0,0,0,0|2,0,0]=4 140 B12R1.78 COC1=CC=C(CN)C(OC)=N1 3189AC [0,2,0,0,0,0|2,0,0]=4 141 B12R1.78 COC1=CC=C(CO)C(OC)=N1 Z0692 [0,2,0,0,0,0|2,0,0]=4 142 B12R1.1095 CC1=CC(C)=C(CCN)C(C)=C1 1024AQ [0,2,0,0,0,0|2,0,0]=4 143 B12R1.1703 COC(=O)C1=NC=C(C)N=C1N 2220AA [0,2,0,0,0,0|1,0,1]=4 144 B12R1.232 CC1=NC(C)=C(Cl)N=C1C(N)=O 3373AH [0,2,0,0,0,0|1,0,1]=4 145 B12R1.449 CCC1=C(Cl)N=C(Cl)C(C#N)=N1 0177AP [0,2,0,0,0,0|2,0,0]=4 146 B12R1.654 CCC1=C(C)C(CCl)=NC=C1C 0399AA [0,2,0,0,0,0|2,0,0]=4 147 B12R1.654 COC1=C(C)C(CN)=NC=C1C 3564AD [0,2,0,0,0,0|2,0,0]=4 148 B10R2.7 C1=CN=C2CNCC2=N1 3375AJ [1,0,0,1,0,0|1,0,0]=3 149 B10R2.2 CC1=NC2=C(CNC2)N1 1776AJ [0,0,0,1,1,0|1,0,1]=4 150 B10R2.2 CC1=NC2=C(CNC2)O1 4211AC [0,0,0,1,1,0|2,0,0]=4 151 B10R2.2 CC1=NC2=C(CNC2)S1 1801AJ [0,0,0,1,1,0|2,0,0]=4 152 B10R2.2 CC1=NC2=C(CNC2)S1 2069AC [0,0,0,1,1,0|2,0,0]=4 153 B12R2.24 BrC1=NC2=C(C=C1)CNCC2 6154AC [0,1,0,1,0,0|2,0,0]=4 154 B12R2.24 CC1=NC=C2CCCCC2=N1 9547AB [0,1,0,1,0,0|2,0,0]=4 155 B12R2.24 ClC1=CC2=C(CCNC2)N=C1 X5472 [0,1,0,1,0,0|2,0,0]=4 156 B12R2.24 FC1=CN=C2OCCCC2=C1 2645AD [0,1,0,1,0,0|2,0,0]=4 157 B12R2.24 NC1=CC2=C(CCNC2)N=C1 Y6674 [0,1,0,1,0,0|2,0,0]=4 158 B12R2.24 NC1=NC2=C(C=C1)CCCC2 9830AL [0,1,0,1,0,0|2,0,0]=4 159 B12R2.132 CC1=CC2=C(C=C1)CCC2O 0306AB [0,1,0,1,0,0|2,0,0]=4 160 B12R2.246 CC1=CC(Cl)=NC2=C1CCC2 0351AF [0,1,0,1,0,0|2,0,0]=4 161 B12R2.44 NCC1=CC2=C(C=C1)CCC2 X2082 [0,1,0,1,0,0|2,0,0]=4 162 B8R1.1 CC1=CC(CO)=CO1 Y6575 [1,0,0,0,1,0|2,0,0]=4 163 B8R1.1 CC1=CSC(CCl)=N1 4416AE [1,0,0,0,1,0|2,0,0]=4 164 B8R1.1 CC1=CSC(CN)=N1 V6316 [1,0,0,0,1,0|2,0,0]=4 165 B8R1.1 CC1=NC(CN)=CS1 8526AH [1,0,0,0,1,0|2,0,0]=4 166 B8R1.1 CC1=NC(CO)=CO1 Y7510 [1,0,0,0,1,0|2,0,0]=4 167 B8R1.1 CC1=NOC(CN)=N1 5162AC [1,0,0,0,1,0|2,0,0]=4 168 B8R1.1 CCC1=CSC(Br)=N1 Y4584 [1,0,0,0,1,0|2,0,0]=4 169 B8R1.1 CN1C=NC(CCl)=C1 2153AA [1,0,0,0,1,0|2,0,0]=4 170 B8R1.11 CC1=C(CCl)SC=N1 7109AC [1,0,0,0,1,0|2,0,0]=4 171 B8R1.11 CC1=C(CN)N=CN1 7784AE [1,0,0,0,1,0|1,0,1]=4 172 B8R1.11 CCC1=C(C)N=CS1 3502AB [1,0,0,0,1,0|1,0,0]=3 173 B8R1.11 CCC1=CC=NN1C 2989AE [1,0,0,0,1,0|1,0,0]=3 174 B8R1.11 CCC1=CNN=C1N Q798 [1,0,0,0,1,0|2,0,0]=4 175 B8R1.11 CN1C=CN=C1CN 7571AB [1,0,0,0,1,0|2,0,0]=4 176 B8R1.11 CN1N=CC=C1CN 3010AA [1,0,0,0,1,0|2,0,0]=4 177 B8R1.18 CC1=C(C)OC(Br)=N1 Y7293 [1,0,0,0,1,0|2,0,0]=4 178 B8R1.18 CC1=NC(Cl)=NN1C 5748AE [1,0,0,0,1,0|2,0,0]=4 179 B8R1.18 CC1=NN(C)C(N)=C1 Y6854 [1,0,0,0,1,0|2,0,0]=4 180 B8R1.18 CC1=NN(C)C=C1Cl 5020AD [1,0,0,0,1,0|2,0,0]=4 181 B8R1.50 CC1=C(C)C(Br)=NO1 5024AC [1,0,0,0,1,0|2,0,0]=4 182 B8R1.50 CC1=CNC(C)=C1C 4993AB [1,0,0,0,1,0|0,0,1]=3 183 B8R1.50 CC1=NOC(C)=C1N 8024AJ [1,0,0,0,1,0|2,0,0]=4