0 B10R1.10 C=CCC1=CC(O)=CC=C1 5771AJ [0,0,0,0,0,0|2,0,1]=3 1 B10R1.10 C=CCC1=CC=CC(C)=C1 0989AQ [0,0,0,0,0,0|1,0,1]=2 2 B10R1.10 CC1=CC(CC=O)=CC=C1 8853AE [0,0,0,0,0,0|1,0,1]=2 3 B10R1.10 CC1=CC=CC(\C=N\O)=N1 7872AF [0,0,0,0,0,0|3,0,1]=4 4 B10R1.10 CC1=NC=CC(CCN)=C1 Y9654 [0,0,0,0,0,0|1,0,0]=1 5 B10R1.10 CC1=NC=CC(CNN)=C1 2499AD [0,0,0,0,0,0|2,0,0]=2 6 B10R1.10 CCCC1=CC(F)=CC=C1 2809AB [0,0,0,0,0,0|2,0,0]=2 7 B10R1.10 CCCC1=CC(N)=NC=C1 2921AJ [0,0,0,0,0,0|3,0,0]=3 8 B10R1.10 CCCC1=NC=CC(Cl)=C1 2766AJ [0,0,0,0,0,0|3,0,0]=3 9 B10R1.10 CCCC1=NC=CC(Cl)=C1 Z2848 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.10 CNCC1=CC(Cl)=NC=C1 9152AE [0,0,0,0,0,0|4,0,0]=4 11 B10R1.10 N#CCC1=CC(N)=CC=C1 2233AA [0,0,0,0,0,0|1,0,2]=3 12 B10R1.10 NCCC1=CC(Br)=CN=C1 1207AJ [0,0,0,0,0,0|2,0,0]=2 13 B10R1.10 NCCC1=NC(Cl)=CC=C1 5821AC [0,0,0,0,0,0|2,0,0]=2 14 B10R1.10 NNCC1=CC=CC(O)=C1 W8565 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.10 NOCC1=CC(Br)=CC=C1 7993AA [0,0,0,0,0,0|2,0,0]=2 16 B10R1.10 O=CCC1=CC(Cl)=CC=C1 3014AE [0,0,0,0,0,0|2,0,1]=3 17 B10R1.10 O=CCC1=CC(F)=CC=C1 9224AE [0,0,0,0,0,0|2,0,1]=3 18 B10R1.10 O=CCC1=CC=CC(Br)=C1 Y7020 [0,0,0,0,0,0|2,0,1]=3 19 B10R1.10 O=CCC1=NC(Br)=CC=C1 3706AA [0,0,0,0,0,0|3,0,1]=4 20 B9R1.2 CC1=NC=CC(CCl)=N1 4940AC [1,0,0,0,0,0|3,0,0]=4 21 B9R1.2 CCC1=CC(Cl)=CC=C1 9311AB [1,0,0,0,0,0|1,0,0]=2 22 B9R1.2 CCC1=CC=NC(Cl)=C1 5411AB [1,0,0,0,0,0|2,0,0]=3 23 B9R1.2 CNC1=NC=CC(N)=C1 5548AC [1,0,0,0,0,0|3,0,0]=4 24 B9R1.2 COC1=CC(O)=NC=C1 W9780 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.2 ClCC1=CC(I)=CC=C1 8955AB [1,0,0,0,0,0|2,0,0]=3 26 B9R1.2 NC1=NC=CC(CCl)=C1 3800AC [1,0,0,0,0,0|3,0,0]=4 27 B9R1.2 NCC1=CC(Cl)=NC=N1 3573AF [1,0,0,0,0,0|3,0,0]=4 28 B9R1.2 NCC1=CC(O)=CN=C1 Y1979 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.2 NCC1=NC(Cl)=CN=C1 1377AA [1,0,0,0,0,0|3,0,0]=4 30 B9R1.2 NCC1=NC=CC(Cl)=N1 8769AH [1,0,0,0,0,0|3,0,0]=4 31 B9R1.2 NCC1=NC=CC(F)=C1 Y4340 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.2 NNC1=NC=CC(F)=C1 2894AC [1,0,0,0,0,0|3,0,0]=4 33 B9R1.2 NNC1=NC=CC(I)=C1 Y3597 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.2 OCC1=NC(O)=CC=C1 1325AE [1,0,0,0,0,0|3,0,0]=4 35 B9R1.8 C#C[I+]C1=CC=CC=C1 7930AL [1,0,0,0,0,0|2,0,1]=4 36 B9R1.8 CNCC1=CN=CC=C1 7435AH [1,0,0,0,0,0|3,0,0]=4 37 B9R1.8 ClC#CC1=CC=CC=C1 0032AQ [1,0,0,0,0,0|1,0,2]=4 38 B9R1.8 ClCCC1=CC=NC=C1 2738AB [1,0,0,0,0,0|2,0,0]=3 39 B9R1.8 ClCCC1=CN=CC=C1 5261AB [1,0,0,0,0,0|2,0,0]=3 40 B9R1.8 Cl[Mg]CC1=CC=CC=C1 8408AJ [1,0,0,0,0,0|2,0,0]=3 41 B9R1.8 IC#CC1=CC=CC=C1 0175AQ [1,0,0,0,0,0|1,0,2]=4 42 B9R1.8 NCCC1=CN=CN=C1 3332AC [1,0,0,0,0,0|2,0,0]=3 43 B9R1.8 NCCC1=NC=CC=N1 4806AC [1,0,0,0,0,0|2,0,0]=3 44 B9R1.8 NCCC1=NC=NC=C1 1885AJ [1,0,0,0,0,0|2,0,0]=3 45 B9R1.8 NCCC1=NC=NC=C1 1886AJ [1,0,0,0,0,0|2,0,0]=3 46 B9R1.8 NNCC1=CC=CC=N1 4874AC [1,0,0,0,0,0|2,0,0]=3 47 B9R1.8 NNCC1=NC=CN=C1 1808AL [1,0,0,0,0,0|3,0,0]=4 48 B9R1.8 NNCC1=NC=CN=C1 5211AA [1,0,0,0,0,0|3,0,0]=4 49 B9R1.8 O=CCC1=CC=CN=C1 5877AB [1,0,0,0,0,0|2,0,1]=4 50 B9R1.8 OCCC1=NC=CC=N1 1887AJ [1,0,0,0,0,0|3,0,0]=4 51 B9R1.8 OCCC1=NC=NC=C1 0497AC [1,0,0,0,0,0|3,0,0]=4 52 B9R1.8 O\N=C/C1=CC=CC=C1 9354AB [1,0,0,0,0,0|2,0,1]=4 53 B11R1.13 CCOC1=CC=CC(O)=C1O 3718AB [0,1,0,0,0,0|3,0,0]=4 54 B11R1.13 NOCC1=C(Cl)C(Cl)=CC=C1 0054AE [0,1,0,0,0,0|2,0,0]=3 55 B11R1.13 O=CCC1=C(Cl)C(Cl)=CC=C1 2420AA [0,1,0,0,0,0|2,0,1]=4 56 B11R1.13 O=CCC1=CC=CC(F)=C1F 3598AC [0,1,0,0,0,0|2,0,1]=4 57 B11R1.23 CC[C@@H](N)C1=CC=CC(Cl)=C1 X9178 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.23 OCC(Cl)C1=CC=CC(Cl)=C1 2029AL [0,1,0,0,0,0|2,0,0]=3 59 B11R1.24 CC1=CC(CCC=O)=CC=C1 4286AF [0,1,0,0,0,0|1,0,0]=2 60 B11R1.24 CNCCC1=CC(Br)=CC=C1 9730AE [0,1,0,0,0,0|1,0,0]=2 61 B11R1.24 N#CCCC1=CC(F)=CC=C1 2070AB [0,1,0,0,0,0|1,0,1]=3 62 B11R1.24 N#CCCC1=CC=CC(Cl)=C1 1006AB [0,1,0,0,0,0|1,0,1]=3 63 B11R1.24 NCCOC1=CC(Br)=CN=C1 2061AA [0,1,0,0,0,0|2,0,0]=3 64 B11R1.24 O=CNCC1=CC=CC(F)=C1 W3915 [0,1,0,0,0,0|2,0,1]=4 65 B11R1.157 CC(=O)CC1=CC=CC(C)=C1 9812AA [0,1,0,0,0,0|1,0,1]=3 66 B11R1.157 CN(C)CC1=CC(S)=CC=C1 3501AD [0,1,0,0,0,0|3,0,0]=4 67 B11R1.157 O=C(O)CC1=CC(S)=CC=C1 9631AB [0,1,0,0,0,0|2,0,1]=4 68 B11R1.182 C=CCC1=CC(C)=CN=C1Cl 0874AD [0,1,0,0,0,0|2,0,1]=4 69 B11R1.182 CCOC1=CC(Br)=CC=C1Br Y3814 [0,1,0,0,0,0|3,0,0]=4 70 B11R1.189 COC1=CC(CC=O)=CC=C1 9995AB [0,1,0,0,0,0|1,0,1]=3 71 B11R1.189 COCC1=CC(CN)=CC=C1 7382AA [0,1,0,0,0,0|2,0,0]=3 72 B11R1.189 N#CC1=CC=CC(CC=O)=C1 1836AA [0,1,0,0,0,0|1,0,2]=4 73 B11R1.192 CC1=CC=C(CCN)C=C1C 8902AA [0,1,0,0,0,0|0,0,0]=1 74 B11R1.192 CCNC1=CC(C)=C(C)C=C1 8938AD [0,1,0,0,0,0|2,0,0]=3 75 B11R1.192 CCOC1=NC=C(N)C(C)=C1 6928AA [0,1,0,0,0,0|3,0,0]=4 76 B11R1.192 N#CCC1=CC(Br)=C(N)C=C1 1571AF [0,1,0,0,0,0|1,0,2]=4 77 B11R1.192 N#CCC1=CC=C(I)C(F)=C1 5668AC [0,1,0,0,0,0|1,0,2]=4 78 B11R2.35 BrC1=CC(C2CC2)=CN=C1 Y3583 [0,0,0,1,0,0|3,0,0]=4 79 B11R2.35 ClC1=CC(C2CC2)=NC=C1 2682AA [0,0,0,1,0,0|3,0,0]=4 80 B11R2.36 CC1=CC2=C(C=C1)C=NO2 1217AA [0,0,0,1,0,0|3,0,0]=4 81 B11R2.36 CC1=CC2=C(CCC2)N=C1 2832AB [0,0,0,1,0,0|2,0,0]=3 82 B11R2.36 ClC1=CC=C2CCOC2=C1 3499AJ [0,0,0,1,0,0|3,0,0]=4 83 B11R2.36 ClC1=CN=C2CCCC2=C1 5171AA [0,0,0,1,0,0|3,0,0]=4 84 B11R2.36 IC1=CC=C2CNCC2=C1 5068AC [0,0,0,1,0,0|3,0,0]=4 85 B11R2.36 NC1=CC2=C(C=C1)CCC2 2198AC [0,0,0,1,0,0|2,0,0]=3 86 B11R2.36 NC1=CC2=C(C=C1)NCC2 5784AH [0,0,0,1,0,0|1,0,0]=2 87 B11R2.36 NC1=CC=C2NN=CC2=C1 1495AC [0,0,0,1,0,0|2,0,1]=4 88 B11R2.36 SC1=CC=C2NN=CC2=C1 8334AB [0,0,0,1,0,0|2,0,1]=4 89 B11R2.106 CC1=C2NN=CC2=NC=C1 Y5198 [0,0,0,1,0,0|2,0,1]=4 90 B11R2.106 CC1=CC=CC2=C1C=CS2 7012AA [0,0,0,1,0,0|2,0,1]=4 91 B11R2.106 CC1=NC=CC2=C1N=NC2 3428AC [0,0,0,1,0,0|2,0,1]=4 92 B11R2.106 CC1=NC=CC2=C1NC=C2 6591AB [0,0,0,1,0,0|1,0,2]=4 93 B11R2.106 ClC1=CC=CC2=C1NN=C2 Y5406 [0,0,0,1,0,0|2,0,1]=4 94 B11R2.106 NC1=C2NCCC2=CC=C1 1351AJ [0,0,0,1,0,0|1,0,0]=2 95 B11R2.468 O=C1CC2=CC=CC(F)=C12 Y5936 [0,0,0,1,0,0|2,0,1]=4 96 B9R1.7 CC1=CN(CCN)N=C1 7229AC [0,0,0,0,1,0|2,0,0]=3 97 B9R1.7 CC1=CN=C(CCN)S1 3258AF [0,0,0,0,1,0|2,0,0]=3 98 B9R1.7 CC1=NC(CCN)=CN1 4612AB [0,0,0,0,1,0|2,0,0]=3 99 B9R1.7 CC1=NC(CCN)=NN1 6359AB [0,0,0,0,1,0|3,0,0]=4 100 B9R1.7 CC1=NC=C(CCN)N1 3349AC [0,0,0,0,1,0|2,0,0]=3 101 B9R1.7 CC1=NN(CCBr)C=C1 1234AC [0,0,0,0,1,0|3,0,0]=4 102 B9R1.7 CC1=NN(CCN)C=C1 6993AE [0,0,0,0,1,0|2,0,0]=3 103 B9R1.7 CC1=NN=C(CCN)O1 1219AJ [0,0,0,0,1,0|3,0,0]=4 104 B9R1.7 CC1=NOC(CCN)=N1 4496AD [0,0,0,0,1,0|3,0,0]=4 105 B9R1.7 CC1=NOC(CCN)=N1 4497AD [0,0,0,0,1,0|3,0,0]=4 106 B9R1.7 NCCC1=CSC(N)=N1 4600AA [0,0,0,0,1,0|3,0,0]=4 107 B9R1.7 NNCC1=CC=C(Cl)S1 1543AL [0,0,0,0,1,0|3,0,0]=4 108 B9R1.33 CN1C=NC=C1CNN 4618AC [0,0,0,0,1,0|3,0,0]=4 109 B9R1.33 NCCC1=C(Br)SC=C1 4754AC [0,0,0,0,1,0|2,0,0]=3 110 B8R1.2 ClCC1=CC=CC=N1 V2306 [2,0,0,0,0,0|2,0,0]=4 111 B8R1.2 NCC1=CN=CN=C1 W4845 [2,0,0,0,0,0|2,0,0]=4 112 B8R1.2 NCC1=NC=CC=N1 4855AH [2,0,0,0,0,0|2,0,0]=4 113 B8R1.2 NCC1=NC=CN=C1 9838AJ [2,0,0,0,0,0|2,0,0]=4 114 B8R1.2 NNC1=CC=CN=C1 Z1664 [2,0,0,0,0,0|2,0,0]=4 115 B8R1.2 OCC1=CC=NC=C1 D932 [2,0,0,0,0,0|2,0,0]=4 116 B8R1.2 OCC1=NC=CC=C1 D931 [2,0,0,0,0,0|2,0,0]=4 117 B8R1.4 CC1=CC(C)=NC=N1 W3390 [2,0,0,0,0,0|2,0,0]=4 118 B8R1.4 CC1=CC=CC(=S)N1 0770AQ [2,0,0,0,0,0|2,0,0]=4 119 B8R1.4 NC1=CC(O)=CC=C1 I722 [2,0,0,0,0,0|1,0,0]=3 120 B10R1.2 CC1=C(F)C=CC=C1NN 8274AC [1,1,0,0,0,0|2,0,0]=4 121 B10R1.2 CC1=C(O)C(CO)=CC=C1 9889AL [1,1,0,0,0,0|1,0,0]=3 122 B10R1.2 CCC1=CC=CC(C)=C1I 5834AD [1,1,0,0,0,0|0,0,0]=2 123 B10R1.2 COC1=CC=CC(Cl)=C1O 1226AC [1,1,0,0,0,0|2,0,0]=4 124 B10R1.8 CC1=CC(C)=NC(CN)=N1 6168AB [1,1,0,0,0,0|2,0,0]=4 125 B10R1.8 CC1=CC(Cl)=CC(CO)=N1 6880AC [1,1,0,0,0,0|2,0,0]=4 126 B10R1.8 CSC1=CC(F)=CC(Cl)=C1 Z0087 [1,1,0,0,0,0|2,0,0]=4 127 B10R1.8 NCC1=CC(Cl)=CC(N)=C1 0652AA [1,1,0,0,0,0|1,0,0]=3 128 B10R1.30 CC1=C(CBr)C=C(Cl)C=C1 3694AC [1,1,0,0,0,0|2,0,0]=4 129 B10R1.30 CC1=CN=C(F)C(CO)=C1 Y3891 [1,1,0,0,0,0|2,0,0]=4 130 B10R1.30 CCC1=C(C)C=CC(C)=C1 5606AL [1,1,0,0,0,0|0,0,0]=2 131 B10R1.30 CCC1=C(N)C=CC(Cl)=N1 5191AC [1,1,0,0,0,0|2,0,0]=4 132 B10R1.30 CCC1=C(N)C=NC(Br)=C1 3463AJ [1,1,0,0,0,0|2,0,0]=4 133 B10R1.30 CNC1=CC(Br)=CC=C1C Z8011 [1,1,0,0,0,0|2,0,0]=4 134 B10R1.30 CNC1=NC(C)=CC=C1N W3389 [1,1,0,0,0,0|2,0,0]=4 135 B10R1.30 COC1=CC(C)=CN=C1F Y3762 [1,1,0,0,0,0|2,0,0]=4 136 B10R1.30 NC1=CC=C(O)C(CO)=C1 0979AA [1,1,0,0,0,0|2,0,0]=4 137 B10R1.30 NCC1=CC(Cl)=CC=C1O 5223AB [1,1,0,0,0,0|1,0,0]=3 138 B10R1.30 NNC1=CC(Cl)=CC=C1F 5195AB [1,1,0,0,0,0|2,0,0]=4 139 B10R1.113 CC(C)C1=CC=CC(Cl)=N1 Y3806 [1,1,0,0,0,0|2,0,0]=4 140 B10R1.113 CC(N)C1=CC(O)=CC=C1 Y9690 [1,1,0,0,0,0|1,0,0]=3 141 B10R1.113 CC(N)C1=CC=CC(N)=C1 2191AL [1,1,0,0,0,0|1,0,0]=3 142 B10R1.113 C[C@@H](N)C1=CC=CC(Cl)=C1 W3721 [1,1,0,0,0,0|1,0,0]=3 143 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 2975AH [1,1,0,0,0,0|1,0,0]=3 144 B10R1.113 N=C(N)C1=CC(O)=CC=C1 7158AE [1,1,0,0,0,0|1,0,1]=4 145 B10R1.113 N=C(N)C1=CC=CC(Cl)=C1 2246AJ [1,1,0,0,0,0|1,0,1]=4 146 B10R1.172 CCC1=CC(C=O)=NC=C1 X3712 [1,1,0,0,0,0|1,0,1]=4 147 B10R1.172 CCC1=CC(NN)=CC=C1 8645AH [1,1,0,0,0,0|1,0,0]=3 148 B10R1.172 CCC1=CC=CC(C#N)=N1 8795AB [1,1,0,0,0,0|1,0,1]=4 149 B10R1.172 CCC1=CC=CC(SC)=C1 Z0769 [1,1,0,0,0,0|0,0,0]=2 150 B10R1.172 COC1=CC(CCl)=NC=C1 6991AC [1,1,0,0,0,0|2,0,0]=4 151 B10R1.172 COC1=CC=CC(CN)=N1 6563AC [1,1,0,0,0,0|1,0,0]=3 152 B10R1.172 COC1=CC=NC(CN)=N1 3381AA [1,1,0,0,0,0|2,0,0]=4 153 B10R1.172 ClCC1=CN=CC(CCl)=C1 W9930 [1,1,0,0,0,0|2,0,0]=4 154 B10R1.172 OCC1=CN=CC(CO)=C1 1004AB [1,1,0,0,0,0|2,0,0]=4 155 B10R1.176 CC1=C(F)C=CC(CO)=N1 5413AA [1,1,0,0,0,0|2,0,0]=4 156 B10R1.176 CC1=CC(CCl)=CC=C1Br V3412 [1,1,0,0,0,0|1,0,0]=3 157 B10R1.176 CC1=CC(CN)=NC=C1Br 4770AJ [1,1,0,0,0,0|1,0,0]=3 158 B10R1.176 CC1=CC(CO)=CN=C1Br Z0074 [1,1,0,0,0,0|2,0,0]=4 159 B10R1.176 CCC1=CC(O)=C(O)C=C1 2184AA [1,1,0,0,0,0|1,0,0]=3 160 B10R1.176 CCC1=CC=C(O)C(C)=N1 X8291 [1,1,0,0,0,0|1,0,0]=3 161 B10R1.176 COC1=CN=C(Br)C(C)=C1 Y3971 [1,1,0,0,0,0|2,0,0]=4 162 B10R1.176 FC1=CC=C(CCl)C=C1I 3358AD [1,1,0,0,0,0|2,0,0]=4 163 B10R1.176 NCC1=CC=C(N)C(O)=C1 1512AJ [1,1,0,0,0,0|1,0,0]=3 164 B10R1.176 OCC1=CC=C(F)C(I)=C1 7762AD [1,1,0,0,0,0|2,0,0]=4 165 B10R1.1 CC1=NC=C(CNN)C=C1 0436AA [1,1,0,0,0,0|2,0,0]=4 166 B10R1.1 NCCC1=CN=C(Br)C=C1 5186AC [1,1,0,0,0,0|1,0,0]=3 167 B10R1.1 NCCC1=CN=C(Cl)C=C1 7778AB [1,1,0,0,0,0|1,0,0]=3 168 B10R1.4 C=CCC1=C(Cl)C=CC=C1 7969AA [1,1,0,0,0,0|1,0,1]=4 169 B10R1.4 C=CCC1=C(F)C=CC=C1 5696AE [1,1,0,0,0,0|1,0,1]=4 170 B10R1.4 CC1=CC=CC=C1CC=O 7409AC [1,1,0,0,0,0|1,0,1]=4 171 B10R1.4 ClCOC1=C(Cl)C=CC=C1 8609AB [1,1,0,0,0,0|2,0,0]=4 172 B10R1.4 NC1=NC=CC=C1CCO 6447AC [1,1,0,0,0,0|2,0,0]=4 173 B10R1.4 NCCC1=C(F)C=CC=N1 1108AJ [1,1,0,0,0,0|1,0,0]=3 174 B10R1.4 NCCN1C=CC=CC1=O Y8846 [1,1,0,0,0,0|1,0,0]=3 175 B10R1.4 NOCC1=CC=CC=C1Br 7199AB [1,1,0,0,0,0|1,0,0]=3 176 B10R1.4 O=C1C=CC=CN1CCCl 7140AB [1,1,0,0,0,0|2,0,0]=4 177 B10R1.4 O=CCC1=CC=CC=C1Br X2126 [1,1,0,0,0,0|1,0,1]=4 178 B10R1.4 O=CCC1=CC=CC=C1Cl 5867AB [1,1,0,0,0,0|1,0,1]=4 179 B10R1.15 C=C(CBr)C1=CC=CC=C1 Z4610 [1,1,0,0,0,0|1,0,1]=4 180 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 1195AL [1,1,0,0,0,0|2,0,0]=4 181 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 2803AB [1,1,0,0,0,0|0,0,2]=4 182 B10R1.15 NC(CO)C1=CC=CC=N1 1469AJ [1,1,0,0,0,0|2,0,0]=4 183 B10R1.15 NC(CO)C1=CC=NC=C1 1231AC [1,1,0,0,0,0|2,0,0]=4 184 B10R1.15 NCC(=O)C1=CC=NC=C1 1463AJ [1,1,0,0,0,0|1,0,1]=4 185 B10R1.15 NCC(=O)C1=NC=CC=C1 1454AJ [1,1,0,0,0,0|1,0,1]=4 186 B10R1.15 NCC(=O)C1=NC=CC=C1 1462AJ [1,1,0,0,0,0|1,0,1]=4 187 B10R1.15 NCC(O)C1=CC=CC=C1 3929AE [1,1,0,0,0,0|0,0,0]=2 188 B10R1.15 NCC(O)C1=CC=NC=C1 1456AJ [1,1,0,0,0,0|1,0,0]=3 189 B10R1.15 NC[C@@H](F)C1=CC=CC=C1 0407AQ [1,1,0,0,0,0|0,0,0]=2 190 B10R1.15 O=CC(Br)C1=CC=CC=C1 8662AA [1,1,0,0,0,0|1,0,1]=4 191 B10R1.17 BrCCCC1=CN=CC=C1 8653AC [1,1,0,0,0,0|2,0,0]=4 192 B10R1.17 C#CCNC1=CC=CC=C1 6094AD [1,1,0,0,0,0|1,0,1]=4 193 B10R1.17 COCOC1=CC=CC=C1 0189AF [1,1,0,0,0,0|2,0,0]=4 194 B10R1.17 NCCNC1=CN=CC=N1 6077AB [1,1,0,0,0,0|2,0,0]=4 195 B10R1.17 NC\C=C\C1=CC=CC=C1 5624AE [1,1,0,0,0,0|0,0,1]=3 196 B10R1.18 CC(O)CC1=CC=CC=N1 5034AE [1,1,0,0,0,0|2,0,0]=4 197 B10R1.18 N=C(N)CC1=CN=CC=C1 4101AE [1,1,0,0,0,0|1,0,1]=4 198 B10R1.16 CC1=NN(CCCN)C=C1 6994AE [0,1,0,0,1,0|2,0,0]=4 199 B10R1.16 CNCCC1=CN(C)N=C1 8615AC [0,1,0,0,1,0|2,0,0]=4 200 B10R1.54 CC1=CN(CC(C)N)N=C1 7236AC [0,1,0,0,1,0|2,0,0]=4 201 B10R1.5 CCC1=NC=CN1CCN 9089AC [0,1,0,0,1,0|2,0,0]=4 202 B10R1.5 CCN1N=CC=C1CCN 3371AD [0,1,0,0,1,0|2,0,0]=4 203 B10R1.29 CNCCN1C=CN=C1C 1680AF [0,1,0,0,1,0|2,0,0]=4 204 B12R1.25 CC1=C(F)C=CC=C1CCCN 1955AE [0,2,0,0,0,0|1,0,0]=3 205 B12R1.25 CC1=CC=CC(OCCN)=C1C 8856AE [0,2,0,0,0,0|0,0,0]=2 206 B12R1.25 FC1=CC=CC(CCCBr)=C1F 1296AA [0,2,0,0,0,0|2,0,0]=4 207 B12R1.280 C=CCC1=C(O)C(OC)=CC=C1 5688AF [0,2,0,0,0,0|1,0,1]=4 208 B12R1.497 NC1=C(CCO)C(F)=C(F)C=C1 2982AL [0,2,0,0,0,0|2,0,0]=4 209 B12R1.544 CN1C(=O)N=CC(CCN)=C1O 9262AC [0,2,0,0,0,0|2,0,0]=4 210 B12R1.10 CC(N)(CO)C1=CC(Br)=CC=C1 0053AD [0,2,0,0,0,0|2,0,0]=4 211 B12R1.13 CC1=CC(C(CN)CO)=CC=C1 W7845 [0,2,0,0,0,0|0,0,0]=2 212 B12R1.13 CCN(CC)C1=CC=CC(C)=C1 8436AL [0,2,0,0,0,0|2,0,0]=4 213 B12R1.17 NC(CCO)C1=CC(F)=CC=C1 2346AL [0,2,0,0,0,0|2,0,0]=4 214 B12R1.17 NC(CCO)C1=CC(O)=CC=C1 2221AL [0,2,0,0,0,0|2,0,0]=4 215 B12R1.17 NC(CCO)C1=CC=CC(Cl)=C1 W7846 [0,2,0,0,0,0|2,0,0]=4 216 B12R1.17 O=C(CCCl)C1=CC(F)=CC=C1 0293AF [0,2,0,0,0,0|2,0,0]=4 217 B12R1.225 CC1=CC=CC([C@@H](C)C(=O)O)=C1 8975AH [0,2,0,0,0,0|1,0,1]=4 218 B12R1.354 CC1=CC(C(=O)NN)=C(N)C=C1 9131AD [0,2,0,0,0,0|1,0,1]=4 219 B12R1.354 CCC(N)C1=CC(Cl)=CC=C1Br 5306AA [0,2,0,0,0,0|2,0,0]=4 220 B12R1.358 NCC(O)C1=CC(Cl)=CC(Cl)=C1 5055AH [0,2,0,0,0,0|1,0,0]=3 221 B12R1.367 CC1=C(Br)C=CC(C(=O)NN)=C1 7406AA [0,2,0,0,0,0|1,0,1]=4 222 B12R1.367 CC[C@@H](N)C1=CC(F)=C(F)C=C1 0504AF [0,2,0,0,0,0|2,0,0]=4 223 B12R1.367 CC[C@@H](N)C1=CC=C(Cl)C(Cl)=C1 9072AE [0,2,0,0,0,0|2,0,0]=4 224 B12R1.435 CC[C@@H](N)C1=CC=CC(OC)=C1 W7434 [0,2,0,0,0,0|1,0,0]=3 225 B12R1.435 CC[C@H](N)C1=CC=CC(OC)=C1 W7433 [0,2,0,0,0,0|1,0,0]=3 226 B12R1.28 CC1=CC(CNCCN)=CC=C1 4252AF [0,2,0,0,0,0|0,0,0]=2 227 B12R1.28 NCCNCC1=CC=CC(Cl)=C1 7639AC [0,2,0,0,0,0|1,0,0]=3 228 B12R1.50 CC1=CC(NC(=O)CBr)=CC=C1 5317AE [0,2,0,0,0,0|1,0,1]=4 229 B12R1.50 O=C(CBr)CC1=CC=CC(Br)=C1 0631AB [0,2,0,0,0,0|2,0,0]=4 230 B12R1.100 CC1=CC(C)=CC(OCCN)=C1 8799AD [0,2,0,0,0,0|0,0,0]=2 231 B12R1.100 CCCOC1=CC(Cl)=CC(Cl)=C1 3504AA [0,2,0,0,0,0|2,0,0]=4 232 B12R1.226 CC(=O)CCC1=CC(Br)=CC=C1 1144AE [0,2,0,0,0,0|2,0,0]=4 233 B12R1.382 C=CCCC1=CC=CC(OC)=C1 0825AD [0,2,0,0,0,0|1,0,0]=3 234 B12R1.382 CCNCC1=CC(C#N)=CC=C1 Z2673 [0,2,0,0,0,0|1,0,1]=4 235 B12R1.382 CCOCC1=CC(CN)=CC=C1 8599AH [0,2,0,0,0,0|1,0,0]=3 236 B12R1.382 COC1=CC(CCC=O)=CC=C1 5343AB [0,2,0,0,0,0|1,0,0]=3 237 B12R1.382 COC1=CC=CC(CCCN)=C1 6272AD [0,2,0,0,0,0|0,0,0]=2 238 B12R1.382 COCCC1=CC=CC(CN)=C1 5619AJ [0,2,0,0,0,0|1,0,0]=3 239 B12R1.382 N#CC1=CC=CC(CCC=O)=C1 1968AJ [0,2,0,0,0,0|1,0,1]=4 240 B12R1.385 CC1=CC(OCCBr)=CC=C1Cl 7329AE [0,2,0,0,0,0|1,0,0]=3 241 B12R1.385 NCCCC1=CC(F)=C(F)C=C1 1958AE [0,2,0,0,0,0|1,0,0]=3 242 B12R1.41 COC1=CC(CC#N)=CC(C)=C1 0297AB [0,2,0,0,0,0|0,0,2]=4 243 B12R1.41 COCC1=CC(C)=CC(C=O)=C1 1716AC [0,2,0,0,0,0|2,0,0]=4 244 B12R1.41 COCC1=CC(C)=CC(CO)=C1 6268AC [0,2,0,0,0,0|2,0,0]=4 245 B12R1.127 CC1=CC=C(Br)C(OC(C)C)=C1 Z0395 [0,2,0,0,0,0|2,0,0]=4 246 B12R1.438 C=C(C)CC1=CC(OC)=CC=C1 8104AE [0,2,0,0,0,0|1,0,1]=4 247 B12R1.438 COC1=CC=CC(NC(=N)N)=C1 7468AH [0,2,0,0,0,0|1,0,1]=4 248 B12R1.270 CCOC1=CC(CO)=CC=C1O 4226AE [0,2,0,0,0,0|2,0,0]=4 249 B12R1.270 COCC1=CC(OC)=CC=C1Br Z1148 [0,2,0,0,0,0|2,0,0]=4 250 B12R1.1123 CC1=CC(C)=C(CC#N)C=C1C X4622 [0,2,0,0,0,0|0,0,2]=4 251 B12R1.279 CCOC1=CC([C@@H](C)N)=CC=C1 W4983 [0,2,0,0,0,0|2,0,0]=4 252 B12R1.279 CCOC1=CC=CC([C@@H](C)N)=C1 3793AA [0,2,0,0,0,0|2,0,0]=4 253 B12R1.279 CN(C)C1=CC=CC(CC#N)=C1 1072AJ [0,2,0,0,0,0|0,0,2]=4 254 B12R1.288 COC1=C(Br)C=C(CCN)C=C1 5058AD [0,2,0,0,0,0|1,0,0]=3 255 B12R1.288 COC1=C(C)C=C(CCN)C=C1 6092AD [0,2,0,0,0,0|0,0,0]=2 256 B10R2.6 C1=CC(C2CC2)=CN=C1 Y1556 [1,0,0,1,0,0|2,0,0]=4 257 B10R2.7 C1=CC2=C(C=N1)CCC2 7574AB [1,0,0,1,0,0|2,0,0]=4 258 B10R2.7 C1=CC2=C(C=N1)CCN2 1362AJ [1,0,0,1,0,0|1,0,0]=3 259 B10R2.7 C1=CC=C2SCOC2=C1 2605AB [1,0,0,1,0,0|2,0,0]=4 260 B12R2.82 CC1=C(Cl)C2=C(C=C1)NN=C2 Z0215 [0,1,0,1,0,0|1,0,1]=4 261 B12R2.82 CC1=C2NC=CC2=CC=C1Br 0054AA [0,1,0,1,0,0|0,0,2]=4 262 B12R2.82 CC1=C2NC=CC2=CC=C1Cl 8540AB [0,1,0,1,0,0|0,0,2]=4 263 B12R2.202 CC1=C2NC(=O)SC2=CC=C1 1411AC [0,1,0,1,0,0|1,0,1]=4 264 B12R2.1081 BrC1=CC=CC2=C1OCCN2 9429AB [0,1,0,1,0,0|2,0,0]=4 265 B12R2.1081 CC1=C2CNCCC2=NC=N1 6186AC [0,1,0,1,0,0|2,0,0]=4 266 B12R2.1081 CC1=NC=NC2=C1CNCC2 X9301 [0,1,0,1,0,0|2,0,0]=4 267 B12R2.1081 FC1=C2CNCCC2=CC=C1 3784AJ [0,1,0,1,0,0|1,0,0]=3 268 B12R2.1081 FC1=CC=CC2=C1CCCN2 X9437 [0,1,0,1,0,0|2,0,0]=4 269 B12R2.1081 NC1=C2CCCOC2=CC=C1 3919AJ [0,1,0,1,0,0|2,0,0]=4 270 B12R2.1081 NC1=CC=CC2=C1NCCC2 9586AH [0,1,0,1,0,0|1,0,0]=3 271 B12R2.1081 OC1=CC=CC2=C1CCCN2 9583AH [0,1,0,1,0,0|2,0,0]=4 272 B12R2.1081 OC1=CC=CC2=C1CCNC2 0688AA [0,1,0,1,0,0|2,0,0]=4 273 B12R2.132 CC1=CC2=C(C=C1)CCC2O 0306AB [0,1,0,1,0,0|1,0,0]=3 274 B12R2.132 NC1=CC=C2CCC(O)C2=C1 3419AJ [0,1,0,1,0,0|2,0,0]=4 275 B12R2.132 NC1CCC2=CC=C(Br)C=C21 3445AJ [0,1,0,1,0,0|2,0,0]=4 276 B12R2.132 NC1CCC2=CC=C(Cl)C=C21 3497AJ [0,1,0,1,0,0|2,0,0]=4 277 B12R2.132 NC1COC2=CC=C(Br)C=C21 3113AJ [0,1,0,1,0,0|2,0,0]=4 278 B12R2.132 NC1COC2=CC=C(F)C=C21 5848AH [0,1,0,1,0,0|2,0,0]=4 279 B12R2.132 N[C@@H]1CCC2=C1C=C(F)C=C2 W8477 [0,1,0,1,0,0|2,0,0]=4 280 B12R2.132 N[C@@H]1CCC2=CC=C(Br)C=C21 8360AH [0,1,0,1,0,0|2,0,0]=4 281 B12R2.132 N[C@@H]1CCC2=CC=C(Br)C=C21 9025AH [0,1,0,1,0,0|2,0,0]=4 282 B12R2.132 N[C@@H]1COC2=CC=C(Br)C=C21 8693AH [0,1,0,1,0,0|2,0,0]=4 283 B12R2.196 NC1CCC2=C(O)C=CC=C21 9671AH [0,1,0,1,0,0|2,0,0]=4 284 B12R2.196 NC1CCC2=C(O)C=CC=C21 9674AH [0,1,0,1,0,0|2,0,0]=4 285 B12R2.196 N[C@@H]1CCC2=C(Br)C=CC=C21 4404AA [0,1,0,1,0,0|2,0,0]=4 286 B12R2.196 N[C@H]1CCC2=C1C=CC=C2F 6243AC [0,1,0,1,0,0|2,0,0]=4 287 B12R2.1282 CC1=CC(C2(N)CC2)=CC=C1 6902AB [0,1,0,1,0,0|1,0,0]=3 288 B12R2.2313 ClC1=CC(C2CNC2)=CC=C1 2217AL [0,1,0,1,0,0|1,0,0]=3 289 B12R2.24 BrC1=CC2=C(N=C1)NCCN2 3659AJ [0,1,0,1,0,0|2,0,0]=4 290 B12R2.24 BrC1=NC2=C(C=C1)CNCC2 6154AC [0,1,0,1,0,0|2,0,0]=4 291 B12R2.24 ClC1=CC2=C(C=C1)COCC2 2268AC [0,1,0,1,0,0|2,0,0]=4 292 B12R2.24 ClC1=CC2=C(C=N1)CNCC2 X4987 [0,1,0,1,0,0|2,0,0]=4 293 B12R2.24 NC1=CC2=C(C=C1)CNCC2 1216AC [0,1,0,1,0,0|1,0,0]=3 294 B12R2.24 NC1=CC=C2CCCNC2=C1 9585AH [0,1,0,1,0,0|2,0,0]=4 295 B12R2.24 NC1=CC=C2NCCCC2=C1 9584AH [0,1,0,1,0,0|1,0,0]=3 296 B12R2.24 NC1=CC=C2NCCNC2=C1 0199AC [0,1,0,1,0,0|1,0,0]=3 297 B12R2.203 CC1=C2C(=CC=C1)ON=C2N 2205AA [0,1,0,1,0,0|1,0,1]=4 298 B12R2.203 CC1=C2C(=O)OCC2=CC=C1 7572AD [0,1,0,1,0,0|1,0,1]=4 299 B12R2.612 CC1=CC2=C(C=N1)C(=O)CC2 2348AJ [0,1,0,1,0,0|2,0,0]=4 300 B12R2.612 CC1=CC=C2C(=O)NCC2=C1 3267AJ [0,1,0,1,0,0|1,0,1]=4 301 B12R2.612 CC1NCC2=C1C=CC(Br)=C2 3927AB [0,1,0,1,0,0|2,0,0]=4 302 B12R2.612 NC1CCC2=C1C=CC(F)=C2 7424AA [0,1,0,1,0,0|1,0,0]=3 303 B12R2.612 NC1CCC2=CC(Cl)=CC=C21 3177AJ [0,1,0,1,0,0|1,0,0]=3 304 B12R2.612 NC1COC2=C1C=CC(Br)=C2 6155AC [0,1,0,1,0,0|1,0,0]=3 305 B12R2.612 NC1COC2=CC(Cl)=CC=C21 3496AJ [0,1,0,1,0,0|1,0,0]=3 306 B12R2.612 N[C@H]1CCC2=C1C=CC(F)=C2 X8974 [0,1,0,1,0,0|1,0,0]=3 307 B12R2.612 N[C@H]1COC2=CC(Cl)=CC=C21 8672AH [0,1,0,1,0,0|1,0,0]=3 308 B12R2.612 OC1=CC2=C(C=C1)C(O)CC2 4876AB [0,1,0,1,0,0|2,0,0]=4 309 B12R2.246 CC1=CC(Cl)=NC2=C1CCC2 0351AF [0,1,0,1,0,0|2,0,0]=4 310 B12R2.246 CC1=CC2=C(C=CC2)C(C)=C1 1334AB [0,1,0,1,0,0|1,0,1]=4 311 B12R2.246 ClC1=C2NCCC2=CC(Br)=C1 3147AJ [0,1,0,1,0,0|1,0,0]=3 312 B12R2.246 FC1=CC2=C(OCC2)C(F)=C1 9106AA [0,1,0,1,0,0|2,0,0]=4 313 B12R2.606 CC1=CC2=C(C=C1)N=C(N)O2 9805AA [0,1,0,1,0,0|1,0,1]=4 314 B12R2.606 CC1=CC2=C(C=C1)NC(=O)S2 7686AB [0,1,0,1,0,0|1,0,1]=4 315 B12R2.606 CC1=CC=C2SC(N)=NC2=C1 U498 [0,1,0,1,0,0|1,0,1]=4 316 B12R2.221 CC1=CC=C(C)C2=C1C=CN2 8220AB [0,1,0,1,0,0|0,0,2]=4 317 B12R2.221 OC1=C2CCCC2=C(F)C=C1 5160AD [0,1,0,1,0,0|2,0,0]=4 318 B12R2.43 N#CC1=CC=CC(C2CC2)=C1 7780AB [0,1,0,1,0,0|1,0,1]=4 319 B12R2.43 NCC1=CC=CC(C2CC2)=C1 3222AC [0,1,0,1,0,0|1,0,0]=3 320 B12R2.44 C#CC1=CC2=C(C=C1)CCC2 3337AH [0,1,0,1,0,0|1,0,1]=4 321 B12R2.44 COC1=CC2=C(C=N1)NCC2 5654AB [0,1,0,1,0,0|1,0,0]=3 322 B12R2.44 ClCC1=CC2=C(C=C1)NN=C2 Y5763 [0,1,0,1,0,0|1,0,1]=4 323 B12R2.44 ClCC1=CC=C2OCCC2=C1 Z3594 [0,1,0,1,0,0|1,0,0]=3 324 B12R2.44 NCC1=CC2=C(C=C1)CCC2 X2082 [0,1,0,1,0,0|1,0,0]=3 325 B12R2.44 NCC1=CC2=C(C=C1)NC=N2 0132AP [0,1,0,1,0,0|1,0,1]=4 326 B12R2.315 NCC1=CC=CC2=C1CCN2 5517AC [0,1,0,1,0,0|2,0,0]=4 327 B12R2.1806 COC1=C2C(=O)CC2=CC=C1 Y6346 [0,1,0,1,0,0|1,0,1]=4 328 B12R2.100 CC1=C(I)C=C2NC=CC2=C1 0648AA [0,1,0,1,0,0|0,0,2]=4 329 B12R2.291 ClC1=C(Cl)C=C(C2CO2)C=C1 1729AL [0,1,0,1,0,0|2,0,0]=4 330 B8R1.1 CC1=CC(CO)=CO1 Y6575 [1,0,0,0,1,0|2,0,0]=4 331 B8R1.1 CC1=CSC(CN)=N1 V6316 [1,0,0,0,1,0|2,0,0]=4 332 B8R1.1 CC1=NC(CN)=CS1 8526AH [1,0,0,0,1,0|2,0,0]=4 333 B8R1.1 NCC1=CC(Cl)=CS1 0924AB [1,0,0,0,1,0|2,0,0]=4 334 B8R1.1 NCC1=CC=C(Br)O1 4771AJ [1,0,0,0,1,0|2,0,0]=4 335 B8R1.1 NCC1=CSC(Cl)=C1 6085AC [1,0,0,0,1,0|2,0,0]=4 336 B8R1.11 CC1=C(CN)C=NO1 3895AJ [1,0,0,0,1,0|2,0,0]=4 337 B8R1.11 CC1=C(CN)N=CN1 7784AE [1,0,0,0,1,0|2,0,0]=4 338 B8R1.11 CCC1=C(C)N=CS1 3502AB [1,0,0,0,1,0|2,0,0]=4 339 B8R1.11 CCC1=CC=NN1C 2989AE [1,0,0,0,1,0|2,0,0]=4 340 B8R1.11 CN1C=CN=C1CN 7571AB [1,0,0,0,1,0|2,0,0]=4 341 B8R1.11 CN1N=CC=C1CN 3010AA [1,0,0,0,1,0|2,0,0]=4 342 B8R1.11 NCC1=C(Br)SC=C1 8483AH [1,0,0,0,1,0|2,0,0]=4 343 B8R1.8 BrCCC1=CC=CO1 1031AJ [1,0,0,0,1,0|2,0,0]=4 344 B8R1.8 NCCC1=CON=C1 1755AJ [1,0,0,0,1,0|2,0,0]=4