0 B10R1.3 C=CC1=CC=C(CN)C=C1 X4444 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.3 CCC1=CC=C(C=O)N=C1 5847AH [0,0,0,0,0,0|2,0,0]=2 2 B10R1.3 CNC1=CC=C(C#N)C=C1 V6076 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.3 CNC1=CC=C(OC)C=C1 Z6803 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.3 CNC1=NC=C(C#N)C=C1 V4757 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.3 COC1=CC=C(C#N)C=N1 Y5292 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.3 COC1=CC=C(CN)C=N1 8647AA [0,0,0,0,0,0|2,0,1]=3 7 B10R1.3 COC1=CC=C(NN)C=C1 4215AB [0,0,0,0,0,0|2,0,0]=2 8 B10R1.3 COC1=CC=C(SC)C=C1 I355 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.3 COC1=CN=C(C#N)C=C1 X4958 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.3 COC1=CN=C(CCl)C=C1 1704AC [0,0,0,0,0,0|2,0,1]=3 11 B10R1.3 COC1=CN=C(CN)C=C1 4773AJ [0,0,0,0,0,0|2,0,1]=3 12 B10R1.3 COC1=CN=C(CO)C=C1 X9716 [0,0,0,0,0,0|1,0,2]=3 13 B10R1.3 COC1=NC=C(C#N)C=N1 V5634 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.3 COC1=NC=C(C=O)N=C1 3578AB [0,0,0,0,0,0|2,0,0]=2 15 B10R1.3 COC1=NC=C(CCl)C=C1 0532AA [0,0,0,0,0,0|2,0,1]=3 16 B10R1.3 COC1=NC=C(CN)C=C1 3334AC [0,0,0,0,0,0|2,0,1]=3 17 B10R1.3 COC1=NC=C(CN)C=N1 6170AC [0,0,0,0,0,0|3,0,1]=4 18 B10R1.3 COC1=NN=C(OC)C=C1 Z0615 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.3 CSC1=CC=C(CBr)C=C1 1120AQ [0,0,0,0,0,0|1,1,1]=3 20 B10R1.3 CSC1=CC=C(CN)C=C1 0258AF [0,0,0,0,0,0|1,1,1]=3 21 B10R1.3 CSC1=NC=C(C=O)C=N1 V1747 [0,0,0,0,0,0|2,1,0]=3 22 B10R1.3 N#CC1=CC=C(CN)C=C1 X8693 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.3 NCC1=CC=C(CO)C=C1 W6028 [0,0,0,0,0,0|2,0,2]=4 24 B9R1.1 C#CC1=CC=C(O)N=C1 3388AA [1,0,0,0,0,0|2,0,1]=4 25 B9R1.1 C=CC1=CN=C(C)C=C1 Q615 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.1 CC1=CC=C(CS)C=C1 7913AF [1,0,0,0,0,0|0,1,1]=3 27 B9R1.1 CC1=CN=C(C#N)C=C1 W3530 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.1 CC1=CN=C(C=O)C=N1 Y9267 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.1 CC1=CN=C(CCl)C=C1 Y5002 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.1 CC1=CN=C(CO)C=C1 1457AB [1,0,0,0,0,0|1,0,2]=4 31 B9R1.1 CC1=NC=C(C=O)C=C1 W6750 [1,0,0,0,0,0|1,0,0]=2 32 B9R1.1 CC1=NC=C(C=O)C=N1 W9344 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.1 CC1=NC=C(CCl)C=C1 Z3855 [1,0,0,0,0,0|2,0,1]=4 34 B9R1.1 CC1=NC=C(NN)C=C1 W9248 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.1 CCC1=CC=C(Br)N=C1 0198AB [1,0,0,0,0,0|3,0,0]=4 36 B9R1.1 CCC1=CC=C(Cl)C=C1 6872AE [1,0,0,0,0,0|2,0,0]=3 37 B9R1.1 CCC1=CC=C(F)C=C1 W6384 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.1 CCC1=CN=C(N)C=C1 Y5080 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.1 CCC1=NC=C(Br)C=C1 W5934 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.1 CNC1=CC=C(Br)C=C1 Z5039 [1,0,0,0,0,0|2,0,0]=3 41 B9R1.1 CNC1=CC=C(O)C=C1 V3446 [1,0,0,0,0,0|1,0,1]=3 42 B9R1.1 CNC1=CN=C(Cl)C=C1 3620AA [1,0,0,0,0,0|3,0,0]=4 43 B9R1.1 CNC1=NC=C(Br)C=C1 W8725 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.1 CNC1=NC=C(F)C=C1 Z2980 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.1 COC1=CC=[N+]([O-])C=C1 5637AH [1,0,0,0,0,0|1,0,1]=3 46 B9R1.1 COC1=CN=C(Br)C=N1 X3205 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.1 COC1=CN=C(Br)N=C1 9984AL [1,0,0,0,0,0|3,0,0]=4 48 B9R1.1 COC1=CN=C(Cl)C=N1 Z4604 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.1 COC1=CN=C(F)C=C1 Z0149 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.1 COC1=CN=C(I)C=C1 V3638 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.1 COC1=CN=C(N)C=C1 X3522 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.1 COC1=CN=C(N)C=N1 W6835 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.1 COC1=CN=C(N)N=C1 X9872 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.1 COC1=NC=C(Cl)C=N1 9535AJ [1,0,0,0,0,0|3,0,0]=4 55 B9R1.1 COC1=NC=C(F)C=C1 C523 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.1 COC1=NC=C(N)C=N1 W7025 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.1 COC1=NC=C(O)C=N1 5238AC [1,0,0,0,0,0|2,0,1]=4 58 B9R1.1 CSC1=CC=C(C)C=C1 I356 [1,0,0,0,0,0|0,1,1]=3 59 B9R1.1 CSC1=CN=C(N)C=C1 2168AC [1,0,0,0,0,0|2,1,0]=4 60 B9R1.1 N#CC1=CC=C(S)C=C1 V7013 [1,0,0,0,0,0|1,1,1]=4 61 B9R1.1 N#CC1=NC=C(O)C=C1 Y5593 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.1 NC1=NC=C(C=O)C=C1 0819AC [1,0,0,0,0,0|2,0,0]=3 63 B9R1.1 NCC1=CC=C(O)C=C1 X6145 [1,0,0,0,0,0|1,0,1]=3 64 B9R1.1 NNC1=CC=C(Br)C=C1 V2246 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.1 NNC1=CC=C(Cl)C=C1 2700AL [1,0,0,0,0,0|3,0,0]=4 66 B9R1.1 NNC1=CC=C(Cl)C=C1 6459AL [1,0,0,0,0,0|3,0,0]=4 67 B9R1.1 NNC1=CC=C(I)C=C1 0740AP [1,0,0,0,0,0|3,0,0]=4 68 B9R1.1 NNC1=CC=C(I)C=C1 H231 [1,0,0,0,0,0|3,0,0]=4 69 B9R1.1 O=CC1=CC=C([O-])C=C1 6126AE [1,0,0,0,0,0|0,0,1]=2 70 B9R1.1 O=CC1=CN=C(Cl)N=C1 X2947 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.1 O=CC1=CN=C(F)C=C1 W7817 [1,0,0,0,0,0|2,0,0]=3 72 B9R1.1 O=CC1=NC=C(Cl)N=C1 4431AC [1,0,0,0,0,0|3,0,0]=4 73 B9R1.1 O=CC1=NC=C(O)C=C1 Y8673 [1,0,0,0,0,0|1,0,0]=2 74 B9R1.1 O=CC1=NN=C(Cl)C=C1 W5271 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.1 O=CC1=NN=C(O)C=C1 V9271 [1,0,0,0,0,0|2,0,0]=3 76 B11R1.3 C#CC1=CC=C(C(=O)[O-])C=C1 4378AD [0,1,0,0,0,0|1,0,1]=3 77 B11R1.3 C#CC1=CC=C(C(C)C)C=C1 W4698 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.3 C#CC1=CC=C(N(C)C)C=C1 1692AC [0,1,0,0,0,0|2,0,1]=4 79 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 5524AD [0,1,0,0,0,0|1,0,0]=2 80 B11R1.3 C=CC1=CC=C(S(=O)[O-])C=C1 6707AL [0,1,0,0,0,0|2,0,1]=4 81 B11R1.3 C=CC1=CC=C([N+](=O)[O-])C=C1 Z2333 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.3 CCC1=CC=C(C(N)=S)C=C1 5611AH [0,1,0,0,0,0|1,1,0]=3 83 B11R1.3 CN(C)C1=CC=C(CO)C=C1 O083 [0,1,0,0,0,0|1,0,2]=4 84 B11R1.3 CN(C)C1=CC=C(N=O)C=C1 7896AF [0,1,0,0,0,0|2,0,0]=3 85 B11R1.3 CNC1=CC=C(C(C)=O)C=C1 9791AL [0,1,0,0,0,0|1,0,0]=2 86 B11R1.3 CNC1=NC=C(C(=O)O)C=N1 7697AB [0,1,0,0,0,0|3,0,0]=4 87 B11R1.3 CNC1=NC=C([N+](=O)[O-])C=C1 V1367 [0,1,0,0,0,0|3,0,0]=4 88 B11R1.3 COC1=CC=C(C(C)C)C=C1 X8289 [0,1,0,0,0,0|1,0,1]=3 89 B11R1.3 COC1=CC=C(C(C)N)C=C1 9546AB [0,1,0,0,0,0|1,0,1]=3 90 B11R1.3 COC1=CC=C([C@@H](C)N)C=C1 W9359 [0,1,0,0,0,0|1,0,1]=3 91 B11R1.3 COC1=CC=C([C@@H](C)O)C=C1 7612AA [0,1,0,0,0,0|0,0,2]=3 92 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 7882AA [0,1,0,0,0,0|0,0,2]=3 93 B11R1.3 COC1=CN=C(C(=O)O)C=C1 X2006 [0,1,0,0,0,0|1,0,0]=2 94 B11R1.3 COC1=CN=C(C(C)=O)C=C1 V5184 [0,1,0,0,0,0|1,0,0]=2 95 B11R1.3 COC1=NC=C(C(=N)N)C=C1 W4265 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.3 COC1=NN=C(C(=O)O)C=C1 Y9484 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.3 CSC1=CC=C([N+](=O)[O-])C=C1 D347 [0,1,0,0,0,0|1,1,0]=3 98 B11R1.3 CSC1=NC=C(C(=O)O)C=N1 X8931 [0,1,0,0,0,0|2,1,0]=4 99 B11R1.3 N#CC1=CC=C(C(=N)N)C=C1 6152AJ [0,1,0,0,0,0|3,0,0]=4 100 B11R1.3 N#CC1=CC=C(C(N)=O)C=C1 3169AB [0,1,0,0,0,0|2,0,0]=3 101 B11R1.3 NC(=O)C1=CC=C(C=O)C=C1 6545AE [0,1,0,0,0,0|2,0,0]=3 102 B11R1.3 NC(=O)C1=CC=C(CCl)C=C1 2990AC [0,1,0,0,0,0|2,0,0]=3 103 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 X5512 [0,1,0,0,0,0|2,0,0]=3 104 B11R1.3 O=CC1=CC=C([N+](=O)[O-])C=N1 4509AB [0,1,0,0,0,0|3,0,0]=4 105 B11R1.3 O=CC1=NC=C(B(O)O)C=C1 Z7135 [0,1,0,0,0,0|3,0,0]=4 106 B11R1.83 CCC1=CC=C(CNC)C=C1 V6675 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.83 CCCC1=CC=C(C=O)C=C1 X2736 [0,1,0,0,0,0|1,0,0]=2 108 B11R1.83 CCCC1=CC=C(CN)C=C1 Z4846 [0,1,0,0,0,0|2,0,1]=4 109 B11R1.83 CCCC1=CC=C(OC)C=C1 5719AF [0,1,0,0,0,0|1,0,1]=3 110 B11R1.83 CCNC1=CC=C(C#N)C=C1 V6077 [0,1,0,0,0,0|2,0,1]=4 111 B11R1.83 CCNC1=CC=C(C=O)C=C1 2473AC [0,1,0,0,0,0|1,0,0]=2 112 B11R1.83 CCOC1=CC=C(CBr)C=C1 2225AB [0,1,0,0,0,0|1,0,1]=3 113 B11R1.83 CCOC1=CC=C(CC)C=C1 6498AL [0,1,0,0,0,0|1,0,1]=3 114 B11R1.83 CCOC1=CC=C(CN)C=C1 V7284 [0,1,0,0,0,0|1,0,1]=3 115 B11R1.83 CCOC1=NC=C(C=O)C=C1 Z1211 [0,1,0,0,0,0|1,0,0]=2 116 B11R1.83 CCSC1=NC=C(C=O)C=N1 1378AF [0,1,0,0,0,0|2,1,0]=4 117 B11R1.83 CNCC1=CC=C(C#N)C=C1 V5324 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.83 CNCC1=CC=C(OC)C=C1 W8997 [0,1,0,0,0,0|1,0,1]=3 119 B11R1.83 COC1=CC=C(CC#N)C=N1 1227AJ [0,1,0,0,0,0|2,0,1]=4 120 B11R1.83 COC1=CC=C(CC=O)C=C1 8366AB [0,1,0,0,0,0|0,0,0]=1 121 B11R1.83 COC1=CC=C(CNN)C=C1 4174AD [0,1,0,0,0,0|1,0,1]=3 122 B11R1.83 COC1=CC=C(CNN)C=C1 9971AL [0,1,0,0,0,0|1,0,1]=3 123 B11R1.83 COCC1=CC=C(CN)C=C1 6002AA [0,1,0,0,0,0|1,0,1]=3 124 B11R1.83 CSC1=CC=C(CC#N)C=C1 2273AE [0,1,0,0,0,0|1,1,1]=4 125 B11R1.83 N#CC1=CC=C(CCBr)C=C1 Z5069 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.83 OCCC1=CC=C(CO)C=C1 6635AB [0,1,0,0,0,0|1,0,2]=4 127 B11R1.279 CNC1=CC=C(C#N)C=C1N W7635 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.279 COC1=CC=C(C#N)C(Br)=C1 X3118 [0,1,0,0,0,0|1,0,1]=3 129 B11R1.279 COC1=CC=C(C#N)C(Cl)=C1 X2762 [0,1,0,0,0,0|1,0,1]=3 130 B11R1.279 COC1=CC=C(C#N)C(N)=C1 W5923 [0,1,0,0,0,0|1,0,1]=3 131 B11R1.279 COC1=CC=C(C#N)C=C1F X4275 [0,1,0,0,0,0|1,0,1]=3 132 B11R1.279 COC1=CC=C(C#N)C=C1N Y5487 [0,1,0,0,0,0|1,0,1]=3 133 B11R1.279 COC1=CC=C(C=O)C(Br)=N1 1367AA [0,1,0,0,0,0|1,0,0]=2 134 B11R1.279 COC1=CC=C(C=O)C(C)=C1 W6710 [0,1,0,0,0,0|0,0,0]=1 135 B11R1.279 COC1=CC=C(C=O)C(Cl)=C1 X1007 [0,1,0,0,0,0|0,0,0]=1 136 B11R1.279 COC1=CC=C(C=O)C=C1I 5347AH [0,1,0,0,0,0|0,0,0]=1 137 B11R1.279 COC1=CC=C(C=O)C=C1N W5672 [0,1,0,0,0,0|0,0,0]=1 138 B11R1.279 COC1=CC=C(CN)C(Cl)=C1 1652AJ [0,1,0,0,0,0|1,0,1]=3 139 B11R1.279 COC1=CC=C(CN)C=C1Cl Z7712 [0,1,0,0,0,0|1,0,1]=3 140 B11R1.279 COC1=CC=C(CN)C=C1O X6964 [0,1,0,0,0,0|1,0,1]=3 141 B11R1.279 COC1=CC=C(CO)C=C1F Z1207 [0,1,0,0,0,0|0,0,2]=3 142 B11R1.279 COC1=CC=C(NN)C(F)=C1 W9653 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.279 COC1=CC=C(OC)C(F)=C1 W8645 [0,1,0,0,0,0|2,0,0]=3 144 B11R1.279 COC1=CC=C(OC)C(O)=C1 W3938 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.279 COC1=NC=C(C=O)C(C)=C1 Y3924 [0,1,0,0,0,0|1,0,0]=2 146 B11R1.279 COC1=NC=C(C=O)C=C1Cl N312 [0,1,0,0,0,0|1,0,0]=2 147 B11R1.279 CSC1=NC=C(C=O)C(Cl)=N1 Z4182 [0,1,0,0,0,0|2,1,0]=4 148 B11R1.279 N#CC1=CC=C(C=O)C(F)=C1 X2724 [0,1,0,0,0,0|2,0,0]=3 149 B11R1.279 N#CC1=CC=C(C=O)C=C1F Y3515 [0,1,0,0,0,0|2,0,0]=3 150 B9R1.21 C#CC1=CC=C(C=O)S1 0597AB [0,0,0,0,1,0|2,0,1]=4 151 B9R1.21 CCC1=NC=C(C=O)S1 5803AC [0,0,0,0,1,0|3,0,0]=4 152 B9R1.21 CCN1C=C(C=O)C=N1 W5294 [0,0,0,0,1,0|3,0,0]=4 153 B9R1.21 COC1=NC=C(C=O)S1 W9748 [0,0,0,0,1,0|2,0,0]=3 154 B9R1.21 O=CC1=CC=C(C=O)S1 3546AF [0,0,0,0,1,0|3,0,0]=4 155 B8R1.2 COC1=CC=NC=N1 Y3333 [2,0,0,0,0,0|2,0,0]=4 156 B8R1.2 COC1=CCC=CC1 Y5373 [2,0,0,0,0,0|0,0,2]=4 157 B8R1.2 COC1=CN=CN=C1 W5346 [2,0,0,0,0,0|2,0,0]=4 158 B8R1.2 CSC1=NC=CC=C1 L314 [2,0,0,0,0,0|1,1,0]=4 159 B8R1.2 Cl[Hg]C1=CC=CC=C1 7627AF [2,0,0,0,0,0|2,0,0]=4 160 B8R1.2 N#CC1=CC=CC=C1 E085 [2,0,0,0,0,0|1,0,1]=4 161 B8R1.2 O=CC1=CC=NC=N1 W4791 [2,0,0,0,0,0|2,0,0]=4 162 B8R1.3 CC1=CC=C(F)C=N1 I740 [2,0,0,0,0,0|2,0,0]=4 163 B8R1.3 CC1=NC=C(Cl)C=C1 V7477 [2,0,0,0,0,0|2,0,0]=4 164 B8R1.3 CC1=NNC(=O)C=C1 6455AJ [2,0,0,0,0,0|2,0,0]=4 165 B8R1.3 CC1=NNC(=O)C=C1 Y9893 [2,0,0,0,0,0|2,0,0]=4 166 B8R1.3 NC1=CN=C(O)C=C1 V5265 [2,0,0,0,0,0|2,0,0]=4 167 B8R1.3 NC1=NC=C(O)C=C1 V8126 [2,0,0,0,0,0|2,0,0]=4 168 B8R1.3 OC1=CN=C(I)C=C1 5466AA [2,0,0,0,0,0|2,0,0]=4 169 B8R1.3 [O-]C1=CC=C(Cl)C=C1 3305AA [2,0,0,0,0,0|1,0,1]=4 170 B10R1.1 CC1=CC=C(CCBr)C=C1 W7663 [1,1,0,0,0,0|1,0,1]=4 171 B10R1.1 CC1=CC=C(CCN)C=C1 1184AJ [1,1,0,0,0,0|1,0,1]=4 172 B10R1.1 CC1=CC=C(NC=O)C=C1 6608AL [1,1,0,0,0,0|0,0,0]=2 173 B10R1.1 CCCC1=CC=C(Cl)C=C1 5012AE [1,1,0,0,0,0|2,0,0]=4 174 B10R1.1 CCOC1=CN=C(Br)C=C1 V5913 [1,1,0,0,0,0|2,0,0]=4 175 B10R1.1 CCOC1=NC=C(F)C=C1 3377AC [1,1,0,0,0,0|2,0,0]=4 176 B10R1.1 CCSC1=CC=C(Br)C=C1 9641AD [1,1,0,0,0,0|1,1,0]=4 177 B10R1.1 CNCC1=CC=C(Br)C=C1 7292AJ [1,1,0,0,0,0|2,0,0]=4 178 B10R1.1 CNCC1=CC=C(C)C=C1 7294AJ [1,1,0,0,0,0|1,0,1]=4 179 B10R1.1 CNCC1=CC=C(C)C=C1 W7964 [1,1,0,0,0,0|1,0,1]=4 180 B10R1.1 CNCC1=CC=C(Cl)C=C1 7293AJ [1,1,0,0,0,0|2,0,0]=4 181 B10R1.1 COCC1=CC=C(Br)C=C1 Z0209 [1,1,0,0,0,0|1,0,0]=3 182 B10R1.1 COCC1=CC=C(N)C=C1 V7837 [1,1,0,0,0,0|1,0,0]=3 183 B10R1.1 NCCC1=CC=C(Br)C=C1 0590AB [1,1,0,0,0,0|2,0,0]=4 184 B10R1.1 NOCC1=CC=C(F)C=C1 9348AA [1,1,0,0,0,0|2,0,0]=4 185 B10R1.1 O=CCC1=CC=C(Br)C=C1 W5028 [1,1,0,0,0,0|1,0,0]=3 186 B10R1.1 O=CCC1=CC=C(Cl)C=C1 W6225 [1,1,0,0,0,0|1,0,0]=3 187 B10R1.1 O=CCC1=CC=C(F)C=C1 8959AA [1,1,0,0,0,0|1,0,0]=3 188 B10R1.1 O=CNC1=CC=C(Cl)C=C1 3649AL [1,1,0,0,0,0|1,0,0]=3 189 B10R1.1 O=CNC1=CC=C(F)C=C1 8342AL [1,1,0,0,0,0|1,0,0]=3 190 B10R1.1 OC1=CC=C(CCBr)C=C1 6870AA [1,1,0,0,0,0|1,0,1]=4 191 B10R1.1 OCCC1=CC=C(I)C=C1 W6745 [1,1,0,0,0,0|2,0,0]=4 192 B10R1.13 CC(=O)C1=CC=C(C)C=N1 7521AB [1,1,0,0,0,0|1,0,0]=3 193 B10R1.13 CC(=O)C1=CC=C(F)N=C1 W8700 [1,1,0,0,0,0|2,0,0]=4 194 B10R1.13 CC(=O)C1=CC=C(O)N=C1 X9010 [1,1,0,0,0,0|1,0,0]=3 195 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 Z5392 [1,1,0,0,0,0|2,0,0]=4 196 B10R1.13 CC(=O)C1=NC=C(F)C=C1 V9103 [1,1,0,0,0,0|2,0,0]=4 197 B10R1.13 CC(=O)C1=NC=C(O)C=C1 0360AC [1,1,0,0,0,0|1,0,0]=3 198 B10R1.13 CC(Br)C1=CC=C(F)C=C1 9966AB [1,1,0,0,0,0|2,0,0]=4 199 B10R1.13 CC(Cl)C1=CC=C(F)C=C1 Z2196 [1,1,0,0,0,0|2,0,0]=4 200 B10R1.13 CC(N)C1=CC=C(Br)C=C1 V8869 [1,1,0,0,0,0|2,0,0]=4 201 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 V6495 [1,1,0,0,0,0|2,0,0]=4 202 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 Y9670 [1,1,0,0,0,0|2,0,0]=4 203 B10R1.13 CC(N)C1=CC=C(F)C=C1 V5775 [1,1,0,0,0,0|2,0,0]=4 204 B10R1.13 CC(O)C1=CC=C(O)C=C1 Z4466 [1,1,0,0,0,0|0,0,2]=4 205 B10R1.13 CC1=CC=C(C(=N)N)C=C1 2887AJ [1,1,0,0,0,0|1,0,0]=3 206 B10R1.13 CC1=CC=C(C(C)N)C=C1 8708AB [1,1,0,0,0,0|1,0,1]=4 207 B10R1.13 CC1=CC=C(S(=O)O)C=C1 7653AB [1,1,0,0,0,0|1,0,0]=3 208 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 7866AF [1,1,0,0,0,0|1,0,0]=3 209 B10R1.13 CC1=CN=C(C(=O)O)C=C1 9308AA [1,1,0,0,0,0|1,0,0]=3 210 B10R1.13 CC1=CN=C(C(=O)O)N=C1 Z5426 [1,1,0,0,0,0|2,0,0]=4 211 B10R1.13 CC1=CN=C(C(N)=O)C=N1 X0289 [1,1,0,0,0,0|2,0,0]=4 212 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 6145AJ [1,1,0,0,0,0|2,0,0]=4 213 B10R1.13 CN(C)C1=CC=C(F)C=C1 2692AE [1,1,0,0,0,0|2,0,0]=4 214 B10R1.13 CN(C)C1=CC=C(O)C=C1 Z4951 [1,1,0,0,0,0|1,0,1]=4 215 B10R1.13 CS(=O)C1=CC=C(Br)C=C1 V9278 [1,1,0,0,0,0|1,1,0]=4 216 B10R1.13 CS(=O)C1=CC=C(F)C=C1 7689AJ [1,1,0,0,0,0|1,1,0]=4 217 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 4787AJ [1,1,0,0,0,0|2,0,0]=4 218 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 X9175 [1,1,0,0,0,0|2,0,0]=4 219 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 W5396 [1,1,0,0,0,0|2,0,0]=4 220 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 1808AC [1,1,0,0,0,0|2,0,0]=4 221 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 X8527 [1,1,0,0,0,0|2,0,0]=4 222 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 6983AC [1,1,0,0,0,0|2,0,0]=4 223 B10R1.13 C[S+](C)C1=CC=C(O)C=C1 6544AL [1,1,0,0,0,0|0,1,1]=4 224 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 1266AB [1,1,0,0,0,0|2,0,0]=4 225 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 C099 [1,1,0,0,0,0|2,0,0]=4 226 B10R1.13 N=C(N)C1=CC=C(I)C=C1 2845AJ [1,1,0,0,0,0|2,0,0]=4 227 B10R1.13 NC(=O)C1=NC=C(F)C=C1 6778AB [1,1,0,0,0,0|2,0,0]=4 228 B10R1.13 NC(=O)C1=NC=C(N)C=C1 W3172 [1,1,0,0,0,0|2,0,0]=4 229 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 V4765 [1,1,0,0,0,0|1,1,0]=4 230 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 7847AF [1,1,0,0,0,0|1,0,0]=3 231 B10R1.13 NC1=CN=C(C(=O)O)C=C1 3083AJ [1,1,0,0,0,0|2,0,0]=4 232 B10R1.13 O=C(O)C1=NC=C(I)C=C1 3537AB [1,1,0,0,0,0|2,0,0]=4 233 B10R1.13 O=C(O)C1=NC=C(O)C=C1 5863AH [1,1,0,0,0,0|1,0,0]=3 234 B10R1.13 O=C(O)C1=NC=C(O)N=C1 V1419 [1,1,0,0,0,0|2,0,0]=4 235 B10R1.13 O=C([O-])C1=CC=C(F)C=C1 F105 [1,1,0,0,0,0|1,0,0]=3 236 B10R1.13 O=C1C=CC(C(=O)O)=CO1 7614AF [1,1,0,0,0,0|1,0,1]=4 237 B10R1.13 O=S([O-])C1=CC=C(Br)C=C1 V3821 [1,1,0,0,0,0|2,0,0]=4 238 B10R1.25 CC1=CC(Br)=CN=C1C=O Y8917 [1,1,0,0,0,0|2,0,0]=4 239 B10R1.25 CC1=CC(C)=C(C#N)C=C1 7417AD [1,1,0,0,0,0|1,0,1]=4 240 B10R1.25 CC1=CC(C)=C(NN)C=C1 9955AL [1,1,0,0,0,0|2,0,0]=4 241 B10R1.25 CC1=CC(Cl)=NC=C1C=O W9076 [1,1,0,0,0,0|2,0,0]=4 242 B10R1.25 CC1=CC(F)=C(NN)C=C1 6959AB [1,1,0,0,0,0|2,0,0]=4 243 B10R1.25 CC1=CC(O)=CC=C1C=O W6182 [1,1,0,0,0,0|0,0,0]=2 244 B10R1.25 CC1=CC=C(C#N)C(Cl)=C1 X2763 [1,1,0,0,0,0|1,0,1]=4 245 B10R1.25 CC1=CC=C(C#N)C(O)=C1 W3997 [1,1,0,0,0,0|1,0,1]=4 246 B10R1.25 CC1=CC=C(C=O)C(C)=N1 Y9726 [1,1,0,0,0,0|1,0,0]=3 247 B10R1.25 CC1=CC=C(C=O)C(Cl)=C1 W6599 [1,1,0,0,0,0|0,0,0]=2 248 B10R1.25 CC1=CC=C(C=O)C(Cl)=N1 Y4688 [1,1,0,0,0,0|1,0,0]=3 249 B10R1.25 CC1=CC=C(C=O)C(O)=C1 X2734 [1,1,0,0,0,0|0,0,0]=2 250 B10R1.25 CC1=CC=C(CN)C(Cl)=C1 0833AC [1,1,0,0,0,0|1,0,1]=4 251 B10R1.25 CC1=CC=C(CO)C(N)=C1 2629AC [1,1,0,0,0,0|0,0,2]=4 252 B10R1.25 CC1=CC=C(NN)C(Cl)=C1 W4649 [1,1,0,0,0,0|2,0,0]=4 253 B10R1.25 CC1=NC(Cl)=CC=C1C=O Z0990 [1,1,0,0,0,0|2,0,0]=4 254 B10R1.25 CCC1=C(F)C=C(Br)C=C1 9478AB [1,1,0,0,0,0|2,0,0]=4 255 B10R1.25 CNC1=C(F)C=C(F)C=C1 1904AL [1,1,0,0,0,0|2,0,0]=4 256 B10R1.25 CNC1=C(N)C=C(Br)C=C1 2680AJ [1,1,0,0,0,0|2,0,0]=4 257 B10R1.25 CNC1=CC=C(Cl)C=C1Cl V5409 [1,1,0,0,0,0|2,0,0]=4 258 B10R1.25 CNC1=CC=C(F)C=C1Br Y6882 [1,1,0,0,0,0|2,0,0]=4 259 B10R1.25 COC1=C(Br)C=C(F)C=C1 H620 [1,1,0,0,0,0|1,0,0]=3 260 B10R1.25 COC1=C(C)C=C(F)C=N1 4130AC [1,1,0,0,0,0|2,0,0]=4 261 B10R1.25 COC1=C(C)C=C(N)C=N1 3583AJ [1,1,0,0,0,0|2,0,0]=4 262 B10R1.25 COC1=C(Cl)C=C(N)C=N1 Z4224 [1,1,0,0,0,0|2,0,0]=4 263 B10R1.25 COC1=C(I)C=C(Br)C=N1 8536AB [1,1,0,0,0,0|2,0,0]=4 264 B10R1.25 COC1=C(I)C=C(C)C=C1 X4546 [1,1,0,0,0,0|0,0,1]=3 265 B10R1.25 COC1=C(O)C=C(O)C=C1 9124AB [1,1,0,0,0,0|0,0,1]=3 266 B10R1.25 COC1=CC=C(Br)C=C1Cl Z0644 [1,1,0,0,0,0|1,0,0]=3 267 B10R1.25 COC1=CC=C(Br)C=C1I Z5421 [1,1,0,0,0,0|1,0,0]=3 268 B10R1.25 COC1=CC=C(Br)N=C1N 5448AC [1,1,0,0,0,0|2,0,0]=4 269 B10R1.25 COC1=CC=C(C)N=C1Br Y8405 [1,1,0,0,0,0|1,0,1]=4 270 B10R1.25 COC1=CC=C(C)N=C1N X3671 [1,1,0,0,0,0|1,0,1]=4 271 B10R1.25 COC1=CC=C(Cl)C=C1I N695 [1,1,0,0,0,0|1,0,0]=3 272 B10R1.25 COC1=CC=C(Cl)C=C1O 4776AB [1,1,0,0,0,0|1,0,0]=3 273 B10R1.25 COC1=CC=C(F)C=C1Cl X4244 [1,1,0,0,0,0|1,0,0]=3 274 B10R1.25 COC1=CC=C(F)C=C1N V5190 [1,1,0,0,0,0|1,0,0]=3 275 B10R1.25 COC1=CC=C(I)C=C1C X8379 [1,1,0,0,0,0|1,0,0]=3 276 B10R1.25 COC1=CC=C(I)C=C1N X5382 [1,1,0,0,0,0|1,0,0]=3 277 B10R1.25 COC1=CC=C(N)C=C1C Y6043 [1,1,0,0,0,0|1,0,0]=3 278 B10R1.25 COC1=CC=C(N)C=C1Cl 5846AJ [1,1,0,0,0,0|1,0,0]=3 279 B10R1.25 COC1=CC=C(N)C=C1N 5296AL [1,1,0,0,0,0|1,0,0]=3 280 B10R1.25 COC1=CC=C(N)C=C1N N030 [1,1,0,0,0,0|1,0,0]=3 281 B10R1.25 COC1=CC=C(N)N=C1Cl 4511AC [1,1,0,0,0,0|2,0,0]=4 282 B10R1.25 COC1=CC=C(O)C=C1C Z0198 [1,1,0,0,0,0|0,0,1]=3 283 B10R1.25 COC1=CC=C(S)C=C1F 5336AH [1,1,0,0,0,0|0,1,0]=3 284 B10R1.25 COC1=CN=C(Cl)C=C1Br Z6486 [1,1,0,0,0,0|2,0,0]=4 285 B10R1.25 COC1=NC=C(Br)C=C1Br X9884 [1,1,0,0,0,0|2,0,0]=4 286 B10R1.25 COC1=NC=C(C)C=C1Br W9936 [1,1,0,0,0,0|1,0,1]=4 287 B10R1.25 COC1=NC=C(Cl)C=C1Cl 6237AA [1,1,0,0,0,0|2,0,0]=4 288 B10R1.25 COC1=NC=C(Cl)C=C1N V8674 [1,1,0,0,0,0|2,0,0]=4 289 B10R1.25 CSC1=CC=C(Br)C=C1Cl Y3518 [1,1,0,0,0,0|1,1,0]=4 290 B10R1.25 CSC1=CC=C(Br)C=C1F Z0393 [1,1,0,0,0,0|1,1,0]=4 291 B10R1.25 CSC1=CC=C(F)C=C1Br Z1091 [1,1,0,0,0,0|1,1,0]=4 292 B10R1.25 CSC1=CC=C(F)C=C1C Z0086 [1,1,0,0,0,0|1,1,0]=4 293 B10R1.25 CSC1=CC=C(F)C=C1F Z0047 [1,1,0,0,0,0|1,1,0]=4 294 B10R1.25 N#CC1=CC=C(O)C=C1O W7608 [1,1,0,0,0,0|1,0,1]=4 295 B10R1.25 NC1=CC(Br)=CC=C1C=O W7224 [1,1,0,0,0,0|1,0,0]=3 296 B10R1.25 NC1=CC=C(C=O)C(Br)=C1 X5129 [1,1,0,0,0,0|1,0,0]=3 297 B10R1.25 O=CC1=CC=C(Br)C=C1Br 8235AB [1,1,0,0,0,0|1,0,0]=3 298 B10R1.25 O=CC1=CC=C(Br)N=C1Br Z0686 [1,1,0,0,0,0|2,0,0]=4 299 B10R1.25 O=CC1=CC=C(F)N=C1F Y7649 [1,1,0,0,0,0|2,0,0]=4 300 B10R1.25 O=CC1=CC=C(I)C=C1Br W4958 [1,1,0,0,0,0|1,0,0]=3 301 B10R1.25 O=CC1=CC=C(O)C=C1Br Z4448 [1,1,0,0,0,0|0,0,0]=2 302 B10R1.25 O=CC1=CC=C(O)C=C1I 4988AC [1,1,0,0,0,0|0,0,0]=2 303 B10R1.176 CC1=C(C)C=C(NN)C=C1 3967AD [1,1,0,0,0,0|2,0,0]=4 304 B10R1.176 CC1=C(Cl)N=CC(C=O)=C1 Z0279 [1,1,0,0,0,0|2,0,0]=4 305 B10R1.176 CC1=C(I)C=C(C#N)C=C1 5919AB [1,1,0,0,0,0|1,0,1]=4 306 B10R1.176 CC1=CC(C=O)=CC=C1Cl Y3523 [1,1,0,0,0,0|1,0,0]=3 307 B10R1.176 CC1=CC(C=O)=CN=C1F Y4480 [1,1,0,0,0,0|2,0,0]=4 308 B10R1.176 CC1=CC(C=O)=NC=C1Br Z1005 [1,1,0,0,0,0|2,0,0]=4 309 B10R1.176 CC1=CC=C(C=O)C=C1Cl W5560 [1,1,0,0,0,0|0,0,0]=2 310 B10R1.176 CC1=CC=C(CN)C=C1Cl W7826 [1,1,0,0,0,0|1,0,1]=4 311 B10R1.176 CC1=CC=C(CO)C=C1Br Z0777 [1,1,0,0,0,0|0,0,2]=4 312 B10R1.176 CCC1=CC(Br)=C(O)C=C1 7273AE [1,1,0,0,0,0|1,0,1]=4 313 B10R1.176 CCC1=CC(O)=C(O)C=C1 2184AA [1,1,0,0,0,0|1,0,1]=4 314 B10R1.176 CCC1=CC=C(Br)C(F)=C1 W9564 [1,1,0,0,0,0|2,0,0]=4 315 B10R1.176 CCC1=CC=C(N)C(O)=C1 1522AJ [1,1,0,0,0,0|2,0,0]=4 316 B10R1.176 CNC1=CC=C(C)C(Br)=C1 Z8003 [1,1,0,0,0,0|1,0,1]=4 317 B10R1.176 COC1=CC(N)=C(F)C=C1 9367AB [1,1,0,0,0,0|1,0,0]=3 318 B10R1.176 COC1=CC(N)=C(O)C=C1 0175AE [1,1,0,0,0,0|0,0,1]=3 319 B10R1.176 COC1=CC(O)=C(N)C=C1 5590AB [1,1,0,0,0,0|1,0,0]=3 320 B10R1.176 COC1=CC=C(Br)C(Cl)=N1 V7738 [1,1,0,0,0,0|2,0,0]=4 321 B10R1.176 COC1=CC=C(Br)C(I)=C1 6659AB [1,1,0,0,0,0|1,0,0]=3 322 B10R1.176 COC1=CC=C(Br)C(O)=C1 W7550 [1,1,0,0,0,0|1,0,0]=3 323 B10R1.176 COC1=CC=C(F)C(C)=C1 1547AB [1,1,0,0,0,0|1,0,0]=3 324 B10R1.176 COC1=CC=C(F)C(Cl)=C1 V4191 [1,1,0,0,0,0|1,0,0]=3 325 B10R1.176 COC1=CC=C(F)C(I)=C1 Y3551 [1,1,0,0,0,0|1,0,0]=3 326 B10R1.176 COC1=CC=C(F)C(O)=C1 Y3754 [1,1,0,0,0,0|1,0,0]=3 327 B10R1.176 COC1=CC=C(I)C(N)=C1 W3349 [1,1,0,0,0,0|1,0,0]=3 328 B10R1.176 COC1=CC=C(I)C(O)=C1 5618AB [1,1,0,0,0,0|1,0,0]=3 329 B10R1.176 COC1=CC=C(N)C(Br)=N1 N208 [1,1,0,0,0,0|2,0,0]=4 330 B10R1.176 COC1=CC=C(N)C(Cl)=N1 Z8428 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.176 COC1=CC=C(N)C(F)=C1 V8518 [1,1,0,0,0,0|1,0,0]=3 332 B10R1.176 COC1=CC=C(N)C(I)=C1 W4105 [1,1,0,0,0,0|1,0,0]=3 333 B10R1.176 COC1=CC=C(N)C(N)=C1 1452AA [1,1,0,0,0,0|1,0,0]=3 334 B10R1.176 COC1=CC=C(N)C(O)=C1 Z4697 [1,1,0,0,0,0|1,0,0]=3 335 B10R1.176 COC1=CC=C(O)C(C)=C1 Y5462 [1,1,0,0,0,0|0,0,1]=3 336 B10R1.176 COC1=CN=C(Br)C(N)=C1 X8710 [1,1,0,0,0,0|2,0,0]=4 337 B10R1.176 COC1=CN=C(Cl)C(N)=C1 Y3226 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.176 COC1=NC=C(Cl)C(C)=C1 Z0889 [1,1,0,0,0,0|2,0,0]=4 339 B10R1.176 COC1=NC=C(F)C(I)=C1 V8622 [1,1,0,0,0,0|2,0,0]=4 340 B10R1.176 NC1=C(Cl)N=C(OC)C=C1 0159AP [1,1,0,0,0,0|2,0,0]=4 341 B10R1.176 O=CC1=CC(F)=C(Cl)N=C1 V9495 [1,1,0,0,0,0|2,0,0]=4 342 B10R1.176 O=CC1=CC=C(Br)C(Br)=C1 1492AC [1,1,0,0,0,0|1,0,0]=3 343 B10R1.176 O=CC1=CC=C(Br)C(O)=C1 V4155 [1,1,0,0,0,0|1,0,0]=3 344 B10R1.176 O=CC1=CN=C(Cl)C(Cl)=C1 W8061 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.176 OCC1=CC(O)=C(O)C=C1 5062AB [1,1,0,0,0,0|0,0,2]=4 346 B10R1.31 CC(=O)C1=CC=C(C=O)S1 Z2479 [0,1,0,0,1,0|2,0,0]=4 347 B10R1.31 CN(C)C1=CC=C(C=O)S1 Z2921 [0,1,0,0,1,0|2,0,0]=4 348 B10R1.31 COC1=CC=C(C(=O)O)S1 6376AJ [0,1,0,0,1,0|1,0,0]=3 349 B10R1.31 COC1=CN=C(C(=O)O)O1 X5064 [0,1,0,0,1,0|2,0,0]=4 350 B12R1.5 CCC(N)C1=CC=C(OC)C=C1 7913AD [0,2,0,0,0,0|1,0,1]=4 351 B12R1.5 CNC(=O)C1=CC=C(OC)C=C1 4042AB [0,2,0,0,0,0|0,0,0]=2 352 B12R1.5 COC(=O)C1=CN=C(C=O)C=C1 X8570 [0,2,0,0,0,0|1,0,0]=3 353 B12R1.5 COC(=O)C1=NC=C(C=O)C=C1 Y9466 [0,2,0,0,0,0|1,0,0]=3 354 B12R1.5 COC(=O)C1=NC=C(OC)N=C1 Z3257 [0,2,0,0,0,0|2,0,0]=4 355 B12R1.5 COC1=CC=C(\C(Cl)=N\O)C=C1 2157AE [0,2,0,0,0,0|0,0,1]=3 356 B12R1.5 CSC1=CC=C(C(=O)CBr)C=C1 5495AH [0,2,0,0,0,0|0,1,0]=3 357 B12R1.5 CSC1=CC=C(C(=O)NN)C=C1 0024AF [0,2,0,0,0,0|0,1,0]=3 358 B12R1.5 N#CC1=CC=C(C(=O)NN)C=C1 W6257 [0,2,0,0,0,0|2,0,0]=4 359 B12R1.6 C=CC1=CC=C([Si](C)(C)C)C=C1 1127AL [0,2,0,0,0,0|2,0,0]=4 360 B12R1.6 COC1=CC=C(P(=O)(O)O)C=C1 7410AD [0,2,0,0,0,0|1,0,0]=3 361 B12R1.6 COC1=CC=C(S(=O)(=O)Cl)C=N1 Y5381 [0,2,0,0,0,0|2,0,0]=4 362 B12R1.6 COC1=CC=C(S(=O)(=O)F)C=C1 0499AQ [0,2,0,0,0,0|1,0,0]=3 363 B12R1.6 COC1=CC=C(S(C)(=O)=O)C=C1 V5418 [0,2,0,0,0,0|1,0,0]=3 364 B12R1.6 C[Si](C)(C)C1=CC=C(C=O)C=C1 Z4422 [0,2,0,0,0,0|1,0,0]=3 365 B12R1.6 O=CC1=CC=C(S(=O)(=O)[O-])C=C1 R254 [0,2,0,0,0,0|1,1,0]=4 366 B12R1.48 CC(C)C1=CC=C(C=O)C(Br)=C1 Z0908 [0,2,0,0,0,0|1,0,0]=3 367 B12R1.48 CC1=CC([N+](=O)[O-])=CC=C1C=O 5585AJ [0,2,0,0,0,0|2,0,0]=4 368 B12R1.48 CN(C)C1=CC=C(C=O)C(Cl)=C1 V3205 [0,2,0,0,0,0|1,0,0]=3 369 B12R1.48 CN(C)C1=CC=C(N=O)C(O)=C1 5761AL [0,2,0,0,0,0|2,0,0]=4 370 B12R1.48 CNC1=CC=C(C(C)=O)C=C1N Y8046 [0,2,0,0,0,0|1,0,0]=3 371 B12R1.48 CNC1=CC=C([N+](=O)[O-])C=C1C 8370AL [0,2,0,0,0,0|2,0,0]=4 372 B12R1.48 COC1=C(Br)N=C(C(=O)O)C=C1 Z3030 [0,2,0,0,0,0|1,0,0]=3 373 B12R1.48 COC1=C(F)C=C(C(C)N)C=C1 8200AC [0,2,0,0,0,0|1,0,1]=4 374 B12R1.48 COC1=CC=C(B(O)O)C=C1Cl N290 [0,2,0,0,0,0|1,0,1]=4 375 B12R1.48 COC1=CC=C(C(=O)O)C=C1I V7285 [0,2,0,0,0,0|0,0,0]=2 376 B12R1.48 COC1=CC=C(C(C)=O)C=C1Br X8264 [0,2,0,0,0,0|0,0,0]=2 377 B12R1.48 COC1=CC=C(C(C)=O)C=C1Cl 1930AE [0,2,0,0,0,0|0,0,0]=2 378 B12R1.48 COC1=CC=C(C(C)=O)C=C1O W7333 [0,2,0,0,0,0|0,0,0]=2 379 B12R1.48 COC1=CC=C(C(N)=O)C=C1N I273 [0,2,0,0,0,0|0,0,0]=2 380 B12R1.48 COC1=CC=C([N+](=O)[O-])C=C1N X4415 [0,2,0,0,0,0|1,0,0]=3 381 B12R1.48 COC1=CC=C([N+](=O)[O-])N=C1Br X7930 [0,2,0,0,0,0|2,0,0]=4 382 B12R1.48 COC1=NC=C(C(=O)O)C=C1Cl W9071 [0,2,0,0,0,0|1,0,0]=3 383 B12R1.48 COC1=NC=C(C(=O)O)C=C1F Z5403 [0,2,0,0,0,0|1,0,0]=3 384 B12R1.48 COC1=NC=C([N+](=O)[O-])C=C1Cl Z4440 [0,2,0,0,0,0|2,0,0]=4 385 B12R1.48 O=CC1=CC=C([N+](=O)[O-])C=C1Br X5128 [0,2,0,0,0,0|2,0,0]=4 386 B12R1.48 O=CC1=CC=C([N+](=O)[O-])C=C1F W3422 [0,2,0,0,0,0|2,0,0]=4 387 B12R1.113 CC(=O)C1=CC=C(N=C=O)C=C1 4273AE [0,2,0,0,0,0|1,0,1]=4 388 B12R1.113 CC(C)C1=CC=C(CC=O)C=C1 3688AE [0,2,0,0,0,0|1,0,0]=3 389 B12R1.113 CCNC1=CC=C(C(=O)O)C=C1 Y9966 [0,2,0,0,0,0|1,0,0]=3 390 B12R1.113 CCOC1=CC=C(C(C)N)C=C1 7973AC [0,2,0,0,0,0|1,0,1]=4 391 B12R1.113 CCOC1=CC=C(C(N)=O)C=C1 U346 [0,2,0,0,0,0|0,0,0]=2 392 B12R1.113 CNCC1=CC=C([N+](=O)[O-])C=C1 0090AB [0,2,0,0,0,0|2,0,0]=4 393 B12R1.113 N#CCC1=CC=C(C(=O)O)C=C1 Y6260 [0,2,0,0,0,0|1,0,1]=4 394 B12R1.113 NCCC1=CC=C([N+](=O)[O-])C=C1 1934AB [0,2,0,0,0,0|2,0,0]=4 395 B12R1.113 O=C(O)C1=CC=C(N=C=S)C=C1 7236AD [0,2,0,0,0,0|1,0,1]=4 396 B12R1.113 O=CNC1=CC=C([N+](=O)[O-])C=C1 1247AQ [0,2,0,0,0,0|2,0,0]=4 397 B12R1.113 O=COC1=CC=C([N+](=O)[O-])C=C1 9513AJ [0,2,0,0,0,0|1,0,1]=4 398 B12R1.256 CC(=O)C1=CC=C(C(C)=O)C=C1 B629 [0,2,0,0,0,0|1,0,0]=3 399 B12R1.256 CN(C)C1=CC=C(C(=N)N)C=C1 8179AB [0,2,0,0,0,0|2,0,0]=4 400 B12R1.256 CN(C)C1=CC=C(C(N)=O)C=C1 W7322 [0,2,0,0,0,0|1,0,0]=3 401 B12R1.256 CN(C)C1=NC=C(C(=O)O)C=C1 2805AC [0,2,0,0,0,0|2,0,0]=4 402 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 9179AH [0,2,0,0,0,0|1,0,0]=3 403 B12R1.256 NC(=O)C1=CC=C(C(=O)O)C=C1 Y9594 [0,2,0,0,0,0|2,0,0]=4 404 B12R1.256 O=C([O-])C1=CC=C([N+](=O)[O-])C=C1 6634AL [0,2,0,0,0,0|2,0,0]=4 405 B12R1.452 CC1=CC(C=O)=CC=C1N(C)C X6451 [0,2,0,0,0,0|1,0,0]=3 406 B12R1.452 CC1=CC(C=O)=CC=C1[N+](=O)[O-] V1651 [0,2,0,0,0,0|2,0,0]=4 407 B12R1.452 COC1=CC=C(C(=O)O)C(Cl)=N1 Y9249 [0,2,0,0,0,0|1,0,0]=3 408 B12R1.452 COC1=CC=C(C(=O)[O-])C(O)=C1 7643AA [0,2,0,0,0,0|0,0,0]=2 409 B12R1.452 COC1=CC=C(C(N)=O)C(N)=C1 4987AB [0,2,0,0,0,0|0,0,0]=2 410 B12R1.452 COC1=CC=C(C(N)=O)C(O)=C1 V1237 [0,2,0,0,0,0|0,0,0]=2 411 B12R1.452 COC1=CC=C([N+](=O)[O-])C(Br)=C1 V9911 [0,2,0,0,0,0|1,0,0]=3 412 B12R1.452 CSC1=CC(F)=C([N+](=O)[O-])C=C1 5553AJ [0,2,0,0,0,0|1,1,0]=4 413 B12R1.452 N#CC1=CC=C(C(=O)O)C(Cl)=C1 5509AJ [0,2,0,0,0,0|2,0,0]=4 414 B12R1.452 O=C(O)C1=CC=C(CO)C=C1F Y8250 [0,2,0,0,0,0|2,0,0]=4 415 B12R1.452 O=CC1=CC=C(B(O)O)C(Cl)=C1 Z6849 [0,2,0,0,0,0|2,0,0]=4 416 B12R1.452 O=CC1=CC=C([N+](=O)[O-])C(Br)=C1 X8572 [0,2,0,0,0,0|2,0,0]=4 417 B12R1.4 CC(C)OC1=CC=C(CN)C=C1 Y8233 [0,2,0,0,0,0|1,0,1]=4 418 B12R1.4 CC(C)OC1=NC=C(C=O)C=C1 Z0989 [0,2,0,0,0,0|1,0,0]=3 419 B12R1.4 CCC1=CC=C(NC(N)=S)C=C1 7621AD [0,2,0,0,0,0|1,1,0]=4 420 B12R1.4 COC1=CC=C(NC(N)=S)C=C1 Y8351 [0,2,0,0,0,0|0,1,0]=3 421 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 X2669 [0,2,0,0,0,0|2,0,0]=4 422 B12R1.4 O=C(O)CC1=CC=C(CCl)C=C1 8192AB [0,2,0,0,0,0|2,0,0]=4 423 B12R1.4 O=CC1=CC=C(CC(=O)O)C=C1 4244AB [0,2,0,0,0,0|1,0,1]=4 424 B12R1.71 C#CCOC1=CC=C(C=O)C=C1 5723AE [0,2,0,0,0,0|0,0,0]=2 425 B12R1.71 CCCCC1=CC=C(C=O)C=C1 6440AL [0,2,0,0,0,0|1,0,0]=3 426 B12R1.71 CCNCC1=CC=C(OC)C=C1 V4536 [0,2,0,0,0,0|1,0,1]=4 427 B12R1.71 CCNCC1=CC=C(OC)C=C1 V8907 [0,2,0,0,0,0|1,0,1]=4 428 B12R1.71 CNCCC1=CC=C(OC)C=C1 Z3352 [0,2,0,0,0,0|1,0,1]=4 429 B12R1.71 COC1=CC=C(CCC=O)C=C1 0461AB [0,2,0,0,0,0|0,0,0]=2 430 B12R1.71 COC1=CC=C(CCCBr)C=C1 0984AQ [0,2,0,0,0,0|1,0,1]=4 431 B12R1.71 COC1=CC=C(CCCN)C=C1 Z2630 [0,2,0,0,0,0|1,0,1]=4 432 B12R1.71 COC1=CC=C(OCC#N)C=C1 7675AD [0,2,0,0,0,0|1,0,1]=4 433 B12R1.71 COC1=CC=C(OCCBr)C=C1 7812AD [0,2,0,0,0,0|1,0,1]=4 434 B12R1.71 CSC1=CC=C(OCCN)C=C1 3517AA [0,2,0,0,0,0|2,0,0]=4 435 B12R1.71 N#CC1=CC=C(OCCBr)C=C1 V5559 [0,2,0,0,0,0|1,0,1]=4 436 B12R1.71 N#CC1=CC=C(OCCN)C=C1 V7223 [0,2,0,0,0,0|1,0,1]=4 437 B12R1.71 O=CC1=CC=C(C#CCO)C=C1 5423AH [0,2,0,0,0,0|1,0,0]=3 438 B12R1.116 CCOC1=CC=C(CC#N)C=C1 0441AC [0,2,0,0,0,0|1,0,1]=4 439 B12R1.116 CCOC1=CC=C(CCN)C=C1 7005AE [0,2,0,0,0,0|1,0,1]=4 440 B12R1.288 CCOC1=CC=C(C=O)C(F)=C1 V6447 [0,2,0,0,0,0|0,0,0]=2 441 B12R1.288 CCOC1=CC=C(C=O)C(O)=C1 6154AJ [0,2,0,0,0,0|0,0,0]=2 442 B12R1.288 COC1=C(F)C=C(CC#N)C=C1 X2198 [0,2,0,0,0,0|1,0,1]=4 443 B12R1.78 C#CC1=CC=C(OC)C(OC)=C1 W6255 [0,2,0,0,0,0|1,0,1]=4 444 B12R1.78 COC1=CC=C(C=O)C(C#N)=C1 X4752 [0,2,0,0,0,0|0,0,0]=2 445 B12R1.78 COC1=CC=C(C=O)C(OC)=N1 Y9554 [0,2,0,0,0,0|1,0,0]=3 446 B12R1.78 COC1=CC=C(C=O)C=C1CCl 4951AE [0,2,0,0,0,0|0,0,0]=2 447 B12R1.78 COC1=CC=C(OC)C(C#N)=C1 X2772 [0,2,0,0,0,0|2,0,0]=4 448 B12R1.301 COC1=C(C)C=C(C#N)C=C1C X4273 [0,2,0,0,0,0|1,0,1]=4 449 B12R1.301 COC1=C(C)C=C(C=O)C=C1C 5129AB [0,2,0,0,0,0|0,0,0]=2 450 B12R1.301 COC1=C(F)C=C(C=O)C=C1F Z0754 [0,2,0,0,0,0|0,0,0]=2 451 B12R1.301 COC1=CC(C)=C(C=O)C(C)=C1 Z0327 [0,2,0,0,0,0|0,0,0]=2 452 B12R1.301 COC1=CC(F)=C(CO)C(F)=C1 1928AL [0,2,0,0,0,0|0,0,2]=4 453 B12R1.301 N#CC1=C(F)C=C(C=O)C=C1F W6274 [0,2,0,0,0,0|2,0,0]=4 454 B12R1.301 N#CC1=CC(F)=C(C=O)C(F)=C1 W6401 [0,2,0,0,0,0|2,0,0]=4 455 B12R1.450 COC1=C(F)C=C(C=O)C(F)=C1 Y4452 [0,2,0,0,0,0|0,0,0]=2 456 B12R1.450 COC1=CC(C)=C(C=O)C=C1C 0376AC [0,2,0,0,0,0|0,0,0]=2 457 B12R1.450 COC1=CC(I)=C(OC)C=C1Cl 4976AC [0,2,0,0,0,0|2,0,0]=4 458 B12R1.450 COC1=CC(O)=C(C=O)C=C1Br 6339AJ [0,2,0,0,0,0|0,0,0]=2 459 B12R1.653 COC1=C(F)C(F)=C(C=O)C=C1 1872AL [0,2,0,0,0,0|0,0,0]=2 460 B12R1.653 COC1=CC=C(OC)C(C)=C1C 5071AB [0,2,0,0,0,0|2,0,0]=4 461 B10R1.2 CC1=C(Br)C(C=O)=CC=C1 8577AC [0,0,1,1,0,0|2,0,0]=4 462 B10R1.2 CC1=C(Cl)C(C=O)=CC=C1 X2718 [0,0,1,1,0,0|2,0,0]=4 463 B10R1.2 CC1=C(F)C(C=O)=CC=C1 W9160 [0,0,1,1,0,0|2,0,0]=4 464 B10R1.2 COC1=C(Br)C(N)=CC=C1 Z3897 [0,0,1,1,0,0|2,0,0]=4 465 B10R1.2 COC1=C(C)C(N)=CC=C1 V8128 [0,0,1,1,0,0|1,0,1]=4 466 B10R1.2 COC1=C(F)C(N)=CC=C1 W8530 [0,0,1,1,0,0|2,0,0]=4 467 B10R1.2 COC1=C(F)C(O)=CC=C1 Z0600 [0,0,1,1,0,0|1,0,1]=4 468 B10R1.2 COC1=C(I)C(Br)=CC=C1 6214AB [0,0,1,1,0,0|2,0,0]=4 469 B10R1.2 COC1=C(N)C(Br)=CC=C1 Y9431 [0,0,1,1,0,0|2,0,0]=4 470 B10R1.2 COC1=C(N)C(Cl)=CC=C1 Z4228 [0,0,1,1,0,0|2,0,0]=4 471 B10R1.2 COC1=C(N)C(N)=CC=C1 2323AJ [0,0,1,1,0,0|2,0,0]=4 472 B10R1.2 COC1=CC=CC(C)=C1Br V5612 [0,0,1,1,0,0|2,0,0]=4 473 B10R1.2 COC1=CC=CC(O)=C1Br 6415AA [0,0,1,1,0,0|1,0,1]=4 474 B10R1.2 COC1=CC=CC(O)=C1O 5842AC [0,0,1,1,0,0|1,0,1]=4 475 B10R1.19 COC1=CC=CC=CC1=O Y6131 [0,0,1,1,0,0|2,0,0]=4 476 B12R2.9 O=CC1=CC=C(C2CC2)C=C1 9503AJ [0,1,0,1,0,0|1,0,0]=3 477 B12R2.44 COC1=CC2=C(C=C1)CCN2 V2361 [0,1,0,1,0,0|1,0,1]=4 478 B12R2.44 COC1=CC2=C(C=C1)CNC2 X9691 [0,1,0,1,0,0|1,0,1]=4 479 B12R2.44 COC1=CC2=C(C=C1)CNC2 Z3916 [0,1,0,1,0,0|1,0,1]=4 480 B12R2.44 COC1=CC2=C(C=C1)OC=C2 6140AA [0,1,0,1,0,0|1,0,0]=3 481 B12R2.44 COC1=CC2=C(C=C1)SC=N2 2987AB [0,1,0,1,0,0|1,0,0]=3 482 B12R2.44 COC1=CC2=C(C=CC2)C=C1 4207AB [0,1,0,1,0,0|1,0,0]=3 483 B12R2.44 COC1=CC2=C(C=CS2)C=C1 5075AC [0,1,0,1,0,0|0,1,0]=3 484 B12R2.44 COC1=CC2=NON=C2C=C1 Y9123 [0,1,0,1,0,0|1,0,1]=4 485 B12R2.44 COC1=CC=C2C=CNC2=N1 W9253 [0,1,0,1,0,0|2,0,0]=4 486 B12R2.44 COC1=CC=C2C=COC2=C1 6968AB [0,1,0,1,0,0|0,0,1]=3 487 B12R2.44 COC1=CC=C2C=NNC2=C1 L862 [0,1,0,1,0,0|1,0,0]=3 488 B12R2.44 COC1=CC=C2N=CSC2=C1 W5194 [0,1,0,1,0,0|0,1,0]=3 489 B12R2.44 COC1=CC=C2NC=CC2=N1 W3769 [0,1,0,1,0,0|2,0,0]=4 490 B12R2.44 COC1=CN2C=CN=C2C=C1 V9621 [0,1,0,1,0,0|2,0,0]=4 491 B12R2.44 N#CC1=CC2=C(C=C1)OCC2 0616AF [0,1,0,1,0,0|1,0,1]=4 492 B12R2.44 O=CC1=CC2=C(C=C1)C=NN2 Y5510 [0,1,0,1,0,0|2,0,0]=4 493 B12R2.44 O=CC1=CC2=C(C=C1)CCC2 3119AB [0,1,0,1,0,0|1,0,0]=3 494 B12R2.44 O=CC1=CC2=C(C=C1)NN=C2 W4871 [0,1,0,1,0,0|1,0,1]=4 495 B12R2.44 O=CC1=CC2=C(C=C1)OC=N2 9768AB [0,1,0,1,0,0|0,0,1]=3 496 B12R2.44 O=CC1=CC2=NON=C2C=C1 Y8734 [0,1,0,1,0,0|1,0,0]=3 497 B12R2.44 O=CC1=CC=C2N=CSC2=C1 W4229 [0,1,0,1,0,0|1,0,1]=4 498 B12R2.44 O=CC1=CC=C2OC=CC2=C1 V2417 [0,1,0,1,0,0|0,0,1]=3 499 B12R2.44 O=CC1=CC=C2SC=CC2=C1 Y6790 [0,1,0,1,0,0|0,1,1]=4 500 B12R2.44 O=CC1=CC=C2SC=NC2=C1 W5978 [0,1,0,1,0,0|0,1,1]=4 501 B8R1.1 CC1=CN=C(C=O)N1 9102AC [1,0,0,0,1,0|2,0,0]=4 502 B8R1.1 CC1=CSC(C=O)=C1 Y9589 [1,0,0,0,1,0|1,0,0]=3 503 B8R1.1 CC1=CSC(C=O)=N1 Y7472 [1,0,0,0,1,0|2,0,0]=4 504 B8R1.1 CC1=NC(C=O)=CO1 Y5199 [1,0,0,0,1,0|2,0,0]=4 505 B8R1.1 CC1=NC(C=O)=CS1 W4388 [1,0,0,0,1,0|2,0,0]=4 506 B8R1.1 CC1=NC=C(C=O)S1 X8494 [1,0,0,0,1,0|2,0,0]=4 507 B8R1.1 CN1C=NC(C=O)=C1 Y7820 [1,0,0,0,1,0|2,0,0]=4 508 B8R1.1 COC1=CC(=O)CC1 6398AB [1,0,0,0,1,0|0,0,2]=4 509 B8R1.1 COC1=CC(=O)OC1 1405AQ [1,0,0,0,1,0|1,0,1]=4 510 B8R1.1 O=CC1=CC(I)=CN1 Y8757 [1,0,0,0,1,0|2,0,0]=4 511 B8R1.1 O=CC1=CC(I)=CS1 9807AA [1,0,0,0,1,0|2,0,0]=4 512 B8R1.1 O=CC1=CC=C(Br)N1 5759AC [1,0,0,0,1,0|2,0,0]=4 513 B8R1.1 O=CC1=CC=C(Cl)O1 9756AL [1,0,0,0,1,0|2,0,0]=4 514 B8R1.1 O=CC1=CC=C(I)O1 F087 [1,0,0,0,1,0|2,0,0]=4 515 B8R1.1 O=CC1=CSC(Br)=C1 9797AA [1,0,0,0,1,0|2,0,0]=4 516 B8R1.1 O=CC1=CSC(Cl)=C1 4568AB [1,0,0,0,1,0|2,0,0]=4 517 B10R1.172 C#CC1=CC(C=O)=CC=C1 X5381 [0,0,0,0,1,1|1,0,1]=4 518 B10R1.172 C#CC1=CC(OC)=CC=C1 X7096 [0,0,0,0,1,1|1,0,1]=4 519 B10R1.172 C=CC1=CC(OC)=CC=C1 9451AB [0,0,0,0,1,1|1,0,0]=3 520 B10R1.172 CCC1=CC(C=O)=CC=C1 Z4620 [0,0,0,0,1,1|1,0,0]=3 521 B10R1.172 CCC1=NC(C=O)=CC=C1 7707AA [0,0,0,0,1,1|2,0,0]=4 522 B10R1.172 COC1=CC(C#N)=NC=C1 Y5400 [0,0,0,0,1,1|1,0,1]=4 523 B10R1.172 COC1=CC(C=O)=NC=C1 8539AA [0,0,0,0,1,1|0,0,0]=2 524 B10R1.172 COC1=CC(CN)=NC=C1 W4154 [0,0,0,0,1,1|1,0,1]=4 525 B10R1.172 COC1=CC(CO)=NC=C1 Z3478 [0,0,0,0,1,1|0,0,2]=4 526 B10R1.172 COC1=CC(SC)=CC=C1 U812 [0,0,0,0,1,1|2,0,0]=4 527 B10R1.172 COC1=CN=CC(C#N)=C1 X2100 [0,0,0,0,1,1|1,0,1]=4 528 B10R1.172 COC1=CN=CC(C=O)=C1 X9038 [0,0,0,0,1,1|0,0,0]=2 529 B10R1.172 COC1=CN=CC(CO)=C1 Z1132 [0,0,0,0,1,1|0,0,2]=4 530 B10R1.172 COC1=CN=CC(OC)=C1 W4037 [0,0,0,0,1,1|2,0,0]=4 531 B10R1.172 COC1=NC=CC(C#N)=C1 Y9925 [0,0,0,0,1,1|1,0,1]=4 532 B10R1.172 COC1=NC=CC(C=O)=C1 W8122 [0,0,0,0,1,1|0,0,0]=2 533 B10R1.172 COC1=NC=CC(CCl)=C1 4431AB [0,0,0,0,1,1|1,0,1]=4 534 B10R1.172 COC1=NC=CC(CN)=C1 V3407 [0,0,0,0,1,1|1,0,1]=4 535 B10R1.172 COC1=NC=CC(CO)=C1 X9550 [0,0,0,0,1,1|0,0,2]=4 536 B10R1.172 N#CC1=CN=CC(C=O)=C1 Z5052 [0,0,0,0,1,1|2,0,0]=4 537 B10R1.172 O=CC1=CC=CC(CBr)=C1 W8602 [0,0,0,0,1,1|2,0,0]=4