0 B10R1.13 CC(=O)C1=CC=C(C)C=N1 7521AB [0,0,0,0,0,0|3,0,0]=3 1 B10R1.13 CC(=O)C1=CC=C(F)N=C1 W8700 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.13 CC(=O)C1=CC=C(O)N=C1 X9010 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 Z5392 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.13 CC(=O)C1=NC=C(Cl)N=C1 W3479 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.13 CC(=O)C1=NC=C(F)C=C1 V9103 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.13 CC(=O)C1=NC=C(F)C=N1 W9324 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.13 CC(=O)C1=NC=C(O)C=C1 0360AC [0,0,0,0,0,0|2,0,0]=2 8 B10R1.13 CC(Br)C1=CC=C(F)C=C1 9966AB [0,0,0,0,0,0|3,0,1]=4 9 B10R1.13 CC(Cl)C1=CC=C(F)C=C1 Z2196 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.13 CC(N)C1=CC=C(Br)C=C1 V8869 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 V6495 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 Y9670 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.13 CC(N)C1=CC=C(F)C=C1 V5775 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.13 CC(O)C1=CC=C(O)C=C1 Z4466 [0,0,0,0,0,0|1,0,1]=2 15 B10R1.13 CC(O)C1=NC=C(Br)C=C1 8022AA [0,0,0,0,0,0|3,0,1]=4 16 B10R1.13 CC1=CC=C(C(=N)N)C=C1 2887AJ [0,0,0,0,0,0|3,0,0]=3 17 B10R1.13 CC1=CC=C(C(C)N)C=C1 8708AB [0,0,0,0,0,0|3,0,1]=4 18 B10R1.13 CC1=CC=C(S(=O)O)C=C1 7653AB [0,0,0,0,0,0|2,0,0]=2 19 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 7866AF [0,0,0,0,0,0|2,0,1]=3 20 B10R1.13 CC1=CN=C(C(=O)O)C=C1 9308AA [0,0,0,0,0,0|2,0,0]=2 21 B10R1.13 CC1=CN=C(C(=O)O)N=C1 Z5426 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.13 CC1=CN=C(C(N)=O)C=N1 X0289 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.13 CC1=NC=C(C(C)O)C=C1 0117AA [0,0,0,0,0,0|3,0,1]=4 24 B10R1.13 CN(C)C1=CC=C(Cl)C=C1 6145AJ [0,0,0,0,0,0|4,0,0]=4 25 B10R1.13 CN(C)C1=CC=C(F)C=C1 2692AE [0,0,0,0,0,0|4,0,0]=4 26 B10R1.13 CN(C)C1=CC=C(O)C=C1 Z4951 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.13 CS(=O)C1=CC=C(Br)C=C1 V9278 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.13 CS(=O)C1=CC=C(F)C=C1 7689AJ [0,0,0,0,0,0|3,0,0]=3 29 B10R1.13 C[C@@H](N)C1=CC=C(Br)C=C1 4787AJ [0,0,0,0,0,0|3,0,1]=4 30 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 X9175 [0,0,0,0,0,0|3,0,1]=4 31 B10R1.13 C[C@@H](N)C1=CC=C(F)C=C1 W5396 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.13 C[C@@H](O)C1=CC=C(Cl)C=C1 1808AC [0,0,0,0,0,0|2,0,1]=3 33 B10R1.13 C[C@H](O)C1=CC=C(Br)C=C1 X8527 [0,0,0,0,0,0|2,0,1]=3 34 B10R1.13 C[C@H](O)C1=CC=C(Cl)C=C1 6983AC [0,0,0,0,0,0|2,0,1]=3 35 B10R1.13 C[S+](C)C1=CC=C(O)C=C1 6544AL [0,0,0,0,0,0|3,0,0]=3 36 B10R1.13 FC(F)C1=CC=C(Br)C=C1 X0133 [0,0,0,0,0,0|3,0,1]=4 37 B10R1.13 FC1=CC=C(C(Cl)Cl)C=C1 V6035 [0,0,0,0,0,0|3,0,1]=4 38 B10R1.13 FC1=CC=C(C(F)F)C=C1 8605AD [0,0,0,0,0,0|3,0,1]=4 39 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 1266AB [0,0,0,0,0,0|3,0,0]=3 40 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 C099 [0,0,0,0,0,0|3,0,0]=3 41 B10R1.13 N=C(N)C1=CC=C(I)C=C1 2845AJ [0,0,0,0,0,0|3,0,0]=3 42 B10R1.13 N=C(N)C1=CN=C(Cl)C=C1 Z4383 [0,0,0,0,0,0|4,0,0]=4 43 B10R1.13 NC(=O)C1=NC=C(Cl)N=C1 W4430 [0,0,0,0,0,0|4,0,0]=4 44 B10R1.13 NC(=O)C1=NC=C(F)C=C1 6778AB [0,0,0,0,0,0|3,0,0]=3 45 B10R1.13 NC(=O)C1=NC=C(N)C=C1 W3172 [0,0,0,0,0,0|3,0,0]=3 46 B10R1.13 NC(=O)C1=NN=C(Cl)C=C1 W7734 [0,0,0,0,0,0|4,0,0]=4 47 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 V4765 [0,0,0,0,0,0|2,1,0]=3 48 B10R1.13 NC1=CC=C(C(=O)[O-])C=C1 7847AF [0,0,0,0,0,0|1,0,1]=2 49 B10R1.13 NC1=CN=C(C(=O)O)C=C1 3083AJ [0,0,0,0,0,0|2,0,0]=2 50 B10R1.13 NC1=CN=C([N+](=O)[O-])C=C1 W3254 [0,0,0,0,0,0|3,0,1]=4 51 B10R1.13 NC1=NC=C(B(O)O)C=C1 V8073 [0,0,0,0,0,0|3,0,1]=4 52 B10R1.13 NC1=NC=C(C(=O)O)N=C1 W6057 [0,0,0,0,0,0|3,0,0]=3 53 B10R1.13 NC1=NN=C(C(=O)O)C=C1 X0293 [0,0,0,0,0,0|3,0,0]=3 54 B10R1.13 O=C(O)C1=NC=C(Br)C=N1 W5818 [0,0,0,0,0,0|3,0,0]=3 55 B10R1.13 O=C(O)C1=NC=C(Br)N=C1 W8994 [0,0,0,0,0,0|3,0,0]=3 56 B10R1.13 O=C(O)C1=NC=C(Cl)C=N1 Z4686 [0,0,0,0,0,0|3,0,0]=3 57 B10R1.13 O=C(O)C1=NC=C(I)C=C1 3537AB [0,0,0,0,0,0|2,0,0]=2 58 B10R1.13 O=C(O)C1=NC=C(O)C=C1 5863AH [0,0,0,0,0,0|1,0,0]=1 59 B10R1.13 O=C(O)C1=NC=C(O)N=C1 V1419 [0,0,0,0,0,0|2,0,0]=2 60 B10R1.13 O=C([O-])C1=CC=C(F)C=C1 F105 [0,0,0,0,0,0|1,0,1]=2 61 B10R1.13 O=C1C=CC(C(=O)O)=CO1 7614AF [0,0,0,0,0,0|1,0,1]=2 62 B10R1.13 O=S([O-])C1=CC=C(Br)C=C1 V3821 [0,0,0,0,0,0|2,0,1]=3 63 B10R1.13 O=[N+]([O-])C1=CN=C(O)N=C1 W5445 [0,0,0,0,0,0|3,0,1]=4 64 B10R1.13 O=[N+]([O-])C1=CN=C(S)C=C1 Y5022 [0,0,0,0,0,0|2,1,1]=4 65 B10R1.13 OB(O)C1=CC=C(S)C=C1 N820 [0,0,0,0,0,0|1,1,1]=3 66 B10R1.13 OB(O)C1=NC=C(Cl)C=C1 X0922 [0,0,0,0,0,0|3,0,1]=4 67 B10R1.13 OB(O)C1=NC=C(F)C=C1 V9453 [0,0,0,0,0,0|3,0,1]=4 68 B9R1.1 C#CC1=CC=C(O)N=C1 3388AA [1,0,0,0,0,0|2,0,1]=4 69 B9R1.1 C=CC1=CN=C(C)C=C1 Q615 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.1 CC1=CC=C(CS)C=C1 7913AF [1,0,0,0,0,0|1,1,1]=4 71 B9R1.1 CC1=CN=C(C=O)C=N1 Y9267 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.1 CC1=CN=C(CO)C=C1 1457AB [1,0,0,0,0,0|2,0,1]=4 73 B9R1.1 CC1=NC=C(C=O)C=C1 W6750 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.1 CC1=NC=C(C=O)C=N1 W9344 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.1 CCC1=CC=C(Cl)C=C1 6872AE [1,0,0,0,0,0|2,0,1]=4 76 B9R1.1 CCC1=CC=C(F)C=C1 W6384 [1,0,0,0,0,0|2,0,1]=4 77 B9R1.1 CNC1=CC=C(Br)C=C1 Z5039 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.1 CNC1=CC=C(O)C=C1 V3446 [1,0,0,0,0,0|2,0,0]=3 79 B9R1.1 CSC1=CC=C(C)C=C1 I356 [1,0,0,0,0,0|3,0,0]=4 80 B9R1.1 N#CC1=CC=C(S)C=C1 V7013 [1,0,0,0,0,0|1,1,1]=4 81 B9R1.1 N#CC1=NC=C(O)C=C1 Y5593 [1,0,0,0,0,0|2,0,1]=4 82 B9R1.1 NC1=NC=C(C=O)C=C1 0819AC [1,0,0,0,0,0|2,0,0]=3 83 B9R1.1 NCC1=CC=C(O)C=C1 X6145 [1,0,0,0,0,0|1,0,1]=3 84 B9R1.1 NNC1=CC=C(Br)C=C1 V2246 [1,0,0,0,0,0|3,0,0]=4 85 B9R1.1 NNC1=CC=C(Cl)C=C1 2700AL [1,0,0,0,0,0|3,0,0]=4 86 B9R1.1 NNC1=CC=C(Cl)C=C1 6459AL [1,0,0,0,0,0|3,0,0]=4 87 B9R1.1 NNC1=CC=C(I)C=C1 0740AP [1,0,0,0,0,0|3,0,0]=4 88 B9R1.1 NNC1=CC=C(I)C=C1 H231 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.1 O=CC1=CC=C([O-])C=C1 6126AE [1,0,0,0,0,0|0,0,1]=2 90 B9R1.1 O=CC1=CN=C(Cl)N=C1 X2947 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.1 O=CC1=CN=C(F)C=C1 W7817 [1,0,0,0,0,0|2,0,0]=3 92 B9R1.1 O=CC1=NC=C(Cl)N=C1 4431AC [1,0,0,0,0,0|3,0,0]=4 93 B9R1.1 O=CC1=NC=C(O)C=C1 Y8673 [1,0,0,0,0,0|1,0,0]=2 94 B9R1.1 O=CC1=NN=C(Cl)C=C1 W5271 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.1 O=CC1=NN=C(O)C=C1 V9271 [1,0,0,0,0,0|2,0,0]=3 96 B9R1.1 OCC1=NC=C(Cl)C=C1 Y8215 [1,0,0,0,0,0|2,0,1]=4 97 B9R1.1 OCC1=NC=C(F)C=C1 W8534 [1,0,0,0,0,0|2,0,1]=4 98 B9R1.1 [O-][N+]1=CC=C(CO)C=C1 1337AQ [1,0,0,0,0,0|1,0,2]=4 99 B9R1.6 CC(=O)C1=CC=NC=N1 W6021 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.6 CC(=O)C1=CC=NN=C1 W6606 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.6 CC(=O)C1=CN=CN=C1 X8651 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.6 CC(=O)C1=NC=CC=N1 7575AB [1,0,0,0,0,0|3,0,0]=4 103 B9R1.6 CC(O)C1=NC=CC=C1 Z2356 [1,0,0,0,0,0|2,0,1]=4 104 B9R1.6 CP(C)C1=CC=CC=C1 0349AC [1,0,0,0,0,0|3,0,0]=4 105 B9R1.6 C[C@@H](O)C1=CC=NC=C1 2673AB [1,0,0,0,0,0|2,0,1]=4 106 B9R1.6 C[C@@H](O)C1=CN=CC=C1 1829AC [1,0,0,0,0,0|2,0,1]=4 107 B9R1.6 C[C@H](O)C1=CC=NC=C1 7927AB [1,0,0,0,0,0|2,0,1]=4 108 B9R1.6 C[C@H](O)C1=CN=CC=C1 7054AB [1,0,0,0,0,0|2,0,1]=4 109 B9R1.6 C[C@H](O)C1=NC=CC=C1 8783AB [1,0,0,0,0,0|2,0,1]=4 110 B9R1.6 FC(F)C1=CC=CC=C1 X8304 [1,0,0,0,0,0|2,0,1]=4 111 B9R1.6 N=C(N)C1=NC=CC=C1 Z3386 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.6 O=C(F)C1=CC=CC=C1 3921AE [1,0,0,0,0,0|1,0,0]=2 113 B9R1.6 O=C(O)C1=NC=CC=C1 7630AF [1,0,0,0,0,0|1,0,0]=2 114 B9R1.6 O=C(O)C1=NN=CC=C1 X0237 [1,0,0,0,0,0|2,0,0]=3 115 B9R1.6 O=C([O-])C1=CC=NC=C1 8981AL [1,0,0,0,0,0|1,0,1]=3 116 B9R1.6 OB(O)C1=CC=NC=C1 X1923 [1,0,0,0,0,0|2,0,1]=4 117 B9R1.6 OB(O)C1=CN=CC=C1 8784AD [1,0,0,0,0,0|2,0,1]=4 118 B11R1.3 C#CC1=CC=C(C(=O)[O-])C=C1 4378AD [0,1,0,0,0,0|1,0,1]=3 119 B11R1.3 C=C(C)C1=CC=C(OC)C=C1 5524AD [0,1,0,0,0,0|2,0,0]=3 120 B11R1.3 C=CC1=CC=C(S(=O)[O-])C=C1 6707AL [0,1,0,0,0,0|2,0,1]=4 121 B11R1.3 C=CC1=CC=C([N+](=O)[O-])C=C1 Z2333 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.3 CCC1=CC=C(C(N)=S)C=C1 5611AH [0,1,0,0,0,0|2,1,0]=4 123 B11R1.3 CN(C)C1=CC=C(CO)C=C1 O083 [0,1,0,0,0,0|3,0,0]=4 124 B11R1.3 CNC1=CC=C(C(C)=O)C=C1 9791AL [0,1,0,0,0,0|2,0,0]=3 125 B11R1.3 CNC1=NC=C(C(=O)O)C=N1 7697AB [0,1,0,0,0,0|3,0,0]=4 126 B11R1.3 COC1=CC=C(C(C)C)C=C1 X8289 [0,1,0,0,0,0|2,0,1]=4 127 B11R1.3 COC1=CC=C(C(C)N)C=C1 9546AB [0,1,0,0,0,0|2,0,1]=4 128 B11R1.3 COC1=CC=C([C@@H](C)N)C=C1 W9359 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.3 COC1=CC=C([C@@H](C)O)C=C1 7612AA [0,1,0,0,0,0|1,0,1]=3 130 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 7882AA [0,1,0,0,0,0|1,0,1]=3 131 B11R1.3 COC1=CN=C(C(=O)O)C=C1 X2006 [0,1,0,0,0,0|1,0,0]=2 132 B11R1.3 COC1=CN=C(C(C)=O)C=C1 V5184 [0,1,0,0,0,0|2,0,0]=3 133 B11R1.3 COC1=NC=C(C(=N)N)C=C1 W4265 [0,1,0,0,0,0|3,0,0]=4 134 B11R1.3 COC1=NN=C(C(=O)O)C=C1 Y9484 [0,1,0,0,0,0|2,0,0]=3 135 B11R1.3 CSC1=CC=C([N+](=O)[O-])C=C1 D347 [0,1,0,0,0,0|1,1,1]=4 136 B11R1.3 CSC1=NC=C(C(=O)O)C=N1 X8931 [0,1,0,0,0,0|2,1,0]=4 137 B11R1.3 N#CC1=CC=C(C(=N)N)C=C1 6152AJ [0,1,0,0,0,0|3,0,0]=4 138 B11R1.3 N#CC1=CC=C(C(N)=O)C=C1 3169AB [0,1,0,0,0,0|2,0,0]=3 139 B11R1.3 NC(=O)C1=CC=C(C=O)C=C1 6545AE [0,1,0,0,0,0|1,0,1]=3 140 B11R1.3 NC(=O)C1=CC=C(CCl)C=C1 2990AC [0,1,0,0,0,0|2,0,0]=3 141 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 X5512 [0,1,0,0,0,0|2,0,0]=3 142 B11R1.3 O=[N+]([O-])C1=CN=C(CO)C=C1 4653AB [0,1,0,0,0,0|2,0,1]=4 143 B11R1.3 OB(O)C1=CC=C(CBr)C=C1 K127 [0,1,0,0,0,0|2,0,1]=4 144 B11R1.19 CC(C)(O)C1=CC=C(Br)C=C1 Z0369 [0,1,0,0,0,0|2,0,1]=4 145 B11R1.19 CC1=CC=C(P(=O)(O)O)C=C1 3952AB [0,1,0,0,0,0|2,0,0]=3 146 B11R1.19 CC1=CC=C(S(=O)(=O)F)C=C1 V6030 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 1016AA [0,1,0,0,0,0|2,0,0]=3 148 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 7009AA [0,1,0,0,0,0|2,0,0]=3 149 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 I689 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 X7028 [0,1,0,0,0,0|2,0,0]=3 151 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 Z4677 [0,1,0,0,0,0|2,0,0]=3 152 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=N1 W6471 [0,1,0,0,0,0|3,0,0]=4 153 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 8584AL [0,1,0,0,0,0|2,0,1]=4 154 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 8878AL [0,1,0,0,0,0|2,0,1]=4 155 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 8900AL [0,1,0,0,0,0|2,0,1]=4 156 B11R1.19 CC1=CC=C(S(=O)(=O)[O-])C=C1 9125AL [0,1,0,0,0,0|2,0,1]=4 157 B11R1.19 CC1=CC=C(S(C)(=N)=O)C=C1 9070AJ [0,1,0,0,0,0|3,0,0]=4 158 B11R1.19 CS(=O)(=O)C1=CC=C(Cl)C=C1 W9850 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.19 NC1=CC=C(S(=O)(=O)[O-])C=C1 P258 [0,1,0,0,0,0|2,0,1]=4 160 B11R1.19 NS(=O)(=O)C1=CC=C(Br)C=C1 R868 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.19 O=S(=O)(F)C1=CC=C(Br)C=C1 V6199 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.19 O=S(=O)(F)C1=CC=C(Cl)C=C1 0495AQ [0,1,0,0,0,0|2,0,1]=4 163 B11R1.19 O=S(=O)(O)C1=CC=C(S)C=C1 Z2885 [0,1,0,0,0,0|1,1,0]=3 164 B11R1.21 CC(=O)C1=CC(Br)=C(Cl)C=C1 V6556 [0,1,0,0,0,0|2,0,0]=3 165 B11R1.21 CC(=O)C1=CC(Br)=C(N)C=C1 8306AB [0,1,0,0,0,0|2,0,0]=3 166 B11R1.21 CC(=O)C1=CC(Cl)=C(Cl)N=C1 1001AD [0,1,0,0,0,0|3,0,0]=4 167 B11R1.21 CC(=O)C1=CC(Cl)=C(O)C=C1 2899AB [0,1,0,0,0,0|1,0,0]=2 168 B11R1.21 CC(=O)C1=CC=C(Br)C(C)=C1 V5550 [0,1,0,0,0,0|2,0,0]=3 169 B11R1.21 CC(=O)C1=CC=C(C)C(C)=C1 L433 [0,1,0,0,0,0|2,0,0]=3 170 B11R1.21 CC(=O)C1=CC=C(Cl)C(F)=C1 7623AA [0,1,0,0,0,0|2,0,0]=3 171 B11R1.21 CC(=O)C1=CC=C(Cl)C(N)=C1 V7793 [0,1,0,0,0,0|2,0,0]=3 172 B11R1.21 CC(=O)C1=CC=C(F)C(N)=C1 Z6029 [0,1,0,0,0,0|2,0,0]=3 173 B11R1.21 CC(=O)C1=CC=C(F)C(O)=C1 Z1157 [0,1,0,0,0,0|2,0,0]=3 174 B11R1.21 CC(=O)C1=CC=C(N)C(F)=C1 X8376 [0,1,0,0,0,0|2,0,0]=3 175 B11R1.21 CC(C)C1=CC(N)=C(O)C=C1 3701AB [0,1,0,0,0,0|2,0,1]=4 176 B11R1.21 CC(O)C1=CC(Cl)=C(Cl)C=C1 7334AA [0,1,0,0,0,0|2,0,1]=4 177 B11R1.21 CC(O)C1=CC(F)=C(F)C=C1 4919AJ [0,1,0,0,0,0|2,0,1]=4 178 B11R1.21 CC1=C(Cl)N=C(C(=O)O)C=C1 X9173 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.21 CC1=C(Cl)N=CC(C(=O)O)=C1 Y9777 [0,1,0,0,0,0|2,0,0]=3 180 B11R1.21 CC1=C(F)C=C(C(=N)N)C=C1 5833AD [0,1,0,0,0,0|3,0,0]=4 181 B11R1.21 CC1=C(F)C=C(C(N)=O)C=C1 8761AA [0,1,0,0,0,0|2,0,0]=3 182 B11R1.21 CC1=C(F)C=CC(C(=O)O)=N1 0227AA [0,1,0,0,0,0|2,0,0]=3 183 B11R1.21 CC1=CC(B(O)O)=CC=C1Br Z0391 [0,1,0,0,0,0|2,0,1]=4 184 B11R1.21 CC1=CC(B(O)O)=CC=C1O X0988 [0,1,0,0,0,0|1,0,1]=3 185 B11R1.21 CC1=CC(C(=O)O)=CC=C1I W6695 [0,1,0,0,0,0|1,0,0]=2 186 B11R1.21 CC1=CC=C(B(O)O)C=C1O X0622 [0,1,0,0,0,0|2,0,1]=4 187 B11R1.21 CC1=CC=C(C(=N)N)C=C1C 2090AJ [0,1,0,0,0,0|3,0,0]=4 188 B11R1.21 CC1=CC=C(C(N)=O)C=C1C 5611AE [0,1,0,0,0,0|2,0,0]=3 189 B11R1.21 CC1=CC=C([N+](=O)[O-])C=C1I X6968 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.21 CC1=NC(C(=O)O)=CC=C1Br Z0162 [0,1,0,0,0,0|2,0,0]=3 191 B11R1.21 CC1=NC(C(=O)O)=CNC1=O 2046AC [0,1,0,0,0,0|2,0,1]=4 192 B11R1.21 CC1=NC=C(C(=O)O)C=C1Br 3254AA [0,1,0,0,0,0|2,0,0]=3 193 B11R1.21 CC1=NC=C(C(=O)O)N=C1C 6284AA [0,1,0,0,0,0|3,0,0]=4 194 B11R1.21 CN1C=C(C(=O)O)C=CC1=O 4744AB [0,1,0,0,0,0|1,0,1]=3 195 B11R1.21 CN1C=CC(C(=O)O)=CC1=O 4035AB [0,1,0,0,0,0|2,0,0]=3 196 B11R1.21 N=C(N)C1=CC=C(F)C(F)=C1 Y6979 [0,1,0,0,0,0|3,0,0]=4 197 B11R1.21 N=C(N)C1=CC=C(N)C(N)=C1 Z5036 [0,1,0,0,0,0|3,0,0]=4 198 B11R1.21 NC(=O)C1=CC(F)=C(Cl)C=C1 3859AC [0,1,0,0,0,0|2,0,0]=3 199 B11R1.21 NC(=O)C1=CC(F)=C(F)C=C1 0685AF [0,1,0,0,0,0|2,0,0]=3 200 B11R1.21 NC(=O)C1=CC=C(Br)C(F)=C1 V7636 [0,1,0,0,0,0|2,0,0]=3 201 B11R1.21 NC(=O)C1=CC=C(F)C(Br)=C1 V6034 [0,1,0,0,0,0|2,0,0]=3 202 B11R1.21 NC(=O)C1=CC=C(F)C(Cl)=C1 Y9866 [0,1,0,0,0,0|2,0,0]=3 203 B11R1.21 NC(=S)C1=CC=C(Cl)C(Cl)=C1 7596AD [0,1,0,0,0,0|2,1,0]=4 204 B11R1.21 NC1=C(N)C=C([N+](=O)[O-])C=C1 0519AC [0,1,0,0,0,0|2,0,1]=4 205 B11R1.21 NC1=CC(B(O)O)=CC=C1Cl X2490 [0,1,0,0,0,0|2,0,1]=4 206 B11R1.21 NC1=CC(C(=O)O)=CC=C1F X2787 [0,1,0,0,0,0|1,0,0]=2 207 B11R1.21 NC1=CC=C(C(=O)O)C=C1I W4421 [0,1,0,0,0,0|1,0,0]=2 208 B11R1.21 NC1=CC=C([N+](=O)[O-])C=C1N 6627AL [0,1,0,0,0,0|2,0,1]=4 209 B11R1.21 NC1=NC=C(C(=O)O)C=C1Br W3918 [0,1,0,0,0,0|2,0,0]=3 210 B11R1.21 O=C(O)C1=CC(=O)C(O)=CN1 5955AB [0,1,0,0,0,0|1,0,0]=2 211 B11R1.21 O=C(O)C1=CC(Br)=C(Br)C=C1 9297AB [0,1,0,0,0,0|1,0,0]=2 212 B11R1.21 O=C(O)C1=CC(F)=C(Cl)N=C1 Y8936 [0,1,0,0,0,0|2,0,0]=3 213 B11R1.21 O=C(O)C1=CC(I)=C(O)C=C1 4787AB [0,1,0,0,0,0|0,0,0]=1 214 B11R1.21 O=C(O)C1=CC=C(Cl)C(=O)N1 0937AA [0,1,0,0,0,0|2,0,0]=3 215 B11R1.21 O=C(O)C1=CC=C(F)C(Cl)=N1 3423AC [0,1,0,0,0,0|2,0,0]=3 216 B11R1.21 O=C(O)C1=CC=C(I)C(Br)=C1 Z4496 [0,1,0,0,0,0|1,0,0]=2 217 B11R1.21 O=C(O)C1=CN=C(F)C(Br)=C1 Z4560 [0,1,0,0,0,0|2,0,0]=3 218 B11R1.21 O=C(O)C1=NC(Br)=C(Br)C=C1 W5183 [0,1,0,0,0,0|2,0,0]=3 219 B11R1.21 O=C(O)C1=NC(Br)=C(F)C=C1 Z3847 [0,1,0,0,0,0|2,0,0]=3 220 B11R1.21 O=C(O)C1=NC(Cl)=C(Br)C=C1 6719AC [0,1,0,0,0,0|2,0,0]=3 221 B11R1.21 O=C(O)C1=NC(Cl)=C(Cl)C=C1 Z5279 [0,1,0,0,0,0|2,0,0]=3 222 B11R1.21 O=C(O)C1=NC(O)=C(Br)C=C1 X9492 [0,1,0,0,0,0|2,0,0]=3 223 B11R1.21 O=[N+]([O-])C1=CC(Cl)=C(I)C=C1 5675AB [0,1,0,0,0,0|2,0,1]=4 224 B11R1.21 O=[N+]([O-])C1=CC(I)=C(Cl)C=C1 1578AC [0,1,0,0,0,0|2,0,1]=4 225 B11R1.21 O=[N+]([O-])C1=CC=C(I)C(Br)=C1 V7447 [0,1,0,0,0,0|2,0,1]=4 226 B11R1.21 O=[N+]([O-])C1=CC=C(I)C(F)=C1 X3080 [0,1,0,0,0,0|2,0,1]=4 227 B11R1.21 O=[N+]([O-])C1=CC=C(I)C(O)=C1 0160AB [0,1,0,0,0,0|2,0,1]=4 228 B11R1.21 O=[N+]([O-])C1=CC=C(O)C(I)=C1 X6896 [0,1,0,0,0,0|1,0,1]=3 229 B11R1.21 O=[N+]([O-])C1=CN=C(O)C(Cl)=C1 W4607 [0,1,0,0,0,0|2,0,1]=4 230 B11R1.21 O=[N+]([O-])C1=CN=C(O)C(F)=C1 Z6632 [0,1,0,0,0,0|2,0,1]=4 231 B11R1.21 OB(O)C1=CC(Cl)=C(O)C=C1 X1338 [0,1,0,0,0,0|1,0,1]=3 232 B11R1.21 OB(O)C1=CC=C(Br)C(Cl)=C1 Y3860 [0,1,0,0,0,0|2,0,1]=4 233 B11R1.21 OB(O)C1=CC=C(Br)C(F)=C1 X0757 [0,1,0,0,0,0|2,0,1]=4 234 B11R1.21 OB(O)C1=CC=C(Cl)C(O)=C1 V9085 [0,1,0,0,0,0|2,0,1]=4 235 B11R1.21 OB(O)C1=CC=C(F)C(Br)=C1 Z7247 [0,1,0,0,0,0|2,0,1]=4 236 B11R1.21 OB(O)C1=CC=C(F)C(O)=C1 V1915 [0,1,0,0,0,0|2,0,1]=4 237 B11R1.22 CC1=CC=C(C(=O)C#N)C=C1 5639AH [0,1,0,0,0,0|2,0,0]=3 238 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 Z5095 [0,1,0,0,0,0|1,0,1]=3 239 B11R1.22 CC1=CC=C(C(=O)NN)C=C1 1635AE [0,1,0,0,0,0|2,0,0]=3 240 B11R1.22 CC1=CC=C(\C(N)=N/O)C=C1 9986AA [0,1,0,0,0,0|2,0,0]=3 241 B11R1.22 CNC(=O)C1=CC=C(Cl)N=C1 5281AE [0,1,0,0,0,0|3,0,0]=4 242 B11R1.22 COC(=O)C1=CC=[N+]([O-])C=C1 4844AB [0,1,0,0,0,0|1,0,1]=3 243 B11R1.22 COC(=O)C1=CN=C(O)C=C1 W7719 [0,1,0,0,0,0|1,0,0]=2 244 B11R1.22 COC(=O)C1=NC=C(Br)C=N1 W9246 [0,1,0,0,0,0|3,0,0]=4 245 B11R1.22 COC(=O)C1=NC=C(Br)N=C1 W4394 [0,1,0,0,0,0|3,0,0]=4 246 B11R1.22 COC(=O)C1=NC=C(C)C=C1 W5212 [0,1,0,0,0,0|2,0,0]=3 247 B11R1.22 COC(=O)C1=NC=C(F)C=C1 Z7177 [0,1,0,0,0,0|2,0,0]=3 248 B11R1.22 COC(=O)C1=NC=C(N)C=C1 W7797 [0,1,0,0,0,0|2,0,0]=3 249 B11R1.22 COC(=O)C1=NC=C(N)N=C1 W3046 [0,1,0,0,0,0|3,0,0]=4 250 B11R1.22 COC(=O)C1=NC=C(O)C=C1 W5304 [0,1,0,0,0,0|1,0,0]=2 251 B11R1.22 COC(=O)C1=NC=C(O)N=C1 W3047 [0,1,0,0,0,0|2,0,0]=3 252 B11R1.22 COC(=O)C1=NN=C(C)C=C1 1449AA [0,1,0,0,0,0|3,0,0]=4 253 B11R1.22 COC(=O)C1=NN=C(Cl)C=C1 W7653 [0,1,0,0,0,0|3,0,0]=4 254 B11R1.22 COC(=O)C1=NN=C(N)C=C1 V9902 [0,1,0,0,0,0|3,0,0]=4 255 B11R1.22 COC(=O)C1=NNC(=O)C=C1 W7503 [0,1,0,0,0,0|2,0,1]=4 256 B11R1.22 C\C(=N/O)C1=CC=C(O)C=C1 6535AL [0,1,0,0,0,0|1,0,0]=2 257 B11R1.22 N#CC(=O)C1=CC=C(Cl)C=C1 5602AH [0,1,0,0,0,0|2,0,0]=3 258 B11R1.22 N=C(NO)C1=CC=C(N)N=C1 1482AH [0,1,0,0,0,0|3,0,0]=4 259 B11R1.22 N=C(NO)C1=CC=[N+]([O-])C=C1 3747AL [0,1,0,0,0,0|2,0,1]=4 260 B11R1.22 NC(=NO)C1=CN=C(Cl)C=C1 4043AE [0,1,0,0,0,0|3,0,0]=4 261 B11R1.22 NC(CO)C1=CC=C(F)C=C1 4163AD [0,1,0,0,0,0|2,0,1]=4 262 B11R1.22 NC1=CC=C(\C(N)=N\O)C=C1 V4875 [0,1,0,0,0,0|2,0,0]=3 263 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 Y5103 [0,1,0,0,0,0|2,0,0]=3 264 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 L165 [0,1,0,0,0,0|2,0,0]=3 265 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 W8329 [0,1,0,0,0,0|2,0,0]=3 266 B11R1.22 NNC(=O)C1=CC=C(I)C=C1 X8275 [0,1,0,0,0,0|2,0,0]=3 267 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 X6772 [0,1,0,0,0,0|2,0,1]=4 268 B11R1.22 N\C(=N/O)C1=CC=C(F)C=C1 7597AD [0,1,0,0,0,0|2,0,0]=3 269 B11R1.22 O=C(CBr)C1=CC=C(I)C=C1 0082AE [0,1,0,0,0,0|2,0,0]=3 270 B11R1.22 O=C(CO)C1=CC=C(F)C=C1 5413AB [0,1,0,0,0,0|1,0,0]=2 271 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 Z3623 [0,1,0,0,0,0|1,0,1]=3 272 B11R1.22 OC(CCl)C1=CC=C(Cl)C=C1 2026AL [0,1,0,0,0,0|2,0,1]=4 273 B11R1.166 CC(=O)C1=C(Br)C=C(Br)C=C1 3856AB [0,1,0,0,0,0|2,0,0]=3 274 B11R1.166 CC(=O)C1=C(Br)C=C(Cl)C=C1 2758AC [0,1,0,0,0,0|2,0,0]=3 275 B11R1.166 CC(=O)C1=C(F)C=C(C)C=C1 2994AB [0,1,0,0,0,0|2,0,0]=3 276 B11R1.166 CC(=O)C1=C(N)C=C(C)C=C1 4310AA [0,1,0,0,0,0|2,0,0]=3 277 B11R1.166 CC(=O)C1=C(O)C=C(Cl)C=C1 0678AC [0,1,0,0,0,0|2,0,0]=3 278 B11R1.166 CC(=O)C1=CC=C(C)C=C1O Y9837 [0,1,0,0,0,0|2,0,0]=3 279 B11R1.166 CC(=O)C1=CC=C(F)C=C1Br Z6300 [0,1,0,0,0,0|2,0,0]=3 280 B11R1.166 CC(=O)C1=CC=C(F)C=C1C X8299 [0,1,0,0,0,0|2,0,0]=3 281 B11R1.166 CC(=O)C1=CC=C(F)N=C1F 5538AC [0,1,0,0,0,0|3,0,0]=4 282 B11R1.166 CC(=O)C1=CC=C(N)C=C1F Y7069 [0,1,0,0,0,0|2,0,0]=3 283 B11R1.166 CC(=O)C1=CC=C(N)C=C1O W4814 [0,1,0,0,0,0|2,0,0]=3 284 B11R1.166 CC(=O)C1=CC=C(O)C=C1Br W7388 [0,1,0,0,0,0|1,0,0]=2 285 B11R1.166 CC(=O)C1=NC=C(F)C=C1F 1576AA [0,1,0,0,0,0|3,0,0]=4 286 B11R1.166 CC1=C(C(=O)O)C=CC(Cl)=N1 Y6583 [0,1,0,0,0,0|2,0,0]=3 287 B11R1.166 CC1=C(C(=O)O)C=CC(F)=N1 V1675 [0,1,0,0,0,0|2,0,0]=3 288 B11R1.166 CC1=C(C(=O)O)C=NC(Cl)=C1 Y9253 [0,1,0,0,0,0|2,0,0]=3 289 B11R1.166 CC1=C(C(=O)O)C=NC(F)=C1 Y4793 [0,1,0,0,0,0|2,0,0]=3 290 B11R1.166 CC1=CC(Br)=CC=C1B(O)O X0634 [0,1,0,0,0,0|2,0,1]=4 291 B11R1.166 CC1=CC(Br)=CC=C1[N+](=O)[O-] W6725 [0,1,0,0,0,0|2,0,1]=4 292 B11R1.166 CC1=CC(C)=C(C(=O)O)C=N1 Y8311 [0,1,0,0,0,0|2,0,0]=3 293 B11R1.166 CC1=CC(Cl)=CN=C1C(=O)O W9131 [0,1,0,0,0,0|2,0,0]=3 294 B11R1.166 CC1=CC(N)=NC=C1C(=O)O 9417AA [0,1,0,0,0,0|2,0,0]=3 295 B11R1.166 CC1=CC=C(C(=N)N)C(Cl)=C1 1657AJ [0,1,0,0,0,0|3,0,0]=4 296 B11R1.166 CC1=CC=C(C(=O)O)C(C)=N1 8698AB [0,1,0,0,0,0|2,0,0]=3 297 B11R1.166 CC1=CC=C(C(=O)O)C(N)=N1 3156AH [0,1,0,0,0,0|2,0,0]=3 298 B11R1.166 CC1=CC=C(C(N)=O)C(O)=C1 V1241 [0,1,0,0,0,0|2,0,0]=3 299 B11R1.166 CC1=CN=C(C(=O)O)C(Br)=C1 X9475 [0,1,0,0,0,0|2,0,0]=3 300 B11R1.166 CC1=NC(Br)=CC=C1C(=O)O Y3603 [0,1,0,0,0,0|2,0,0]=3 301 B11R1.166 CC1=NC(C)=C(C(=O)O)C=N1 1550AC [0,1,0,0,0,0|3,0,0]=4 302 B11R1.166 N=C(N)C1=C(F)C=C(F)C=C1 1881AF [0,1,0,0,0,0|3,0,0]=4 303 B11R1.166 N=C(N)C1=CC=C(Cl)C=C1Cl 4921AH [0,1,0,0,0,0|3,0,0]=4 304 B11R1.166 NC(=O)C1=C(Cl)C=C(O)C=C1 1045AA [0,1,0,0,0,0|1,0,0]=2 305 B11R1.166 NC(=O)C1=C(F)C=C(Cl)C=C1 0977AA [0,1,0,0,0,0|2,0,0]=3 306 B11R1.166 NC(=O)C1=CC=C(Br)C=C1N Y7066 [0,1,0,0,0,0|2,0,0]=3 307 B11R1.166 NC(=O)C1=CC=C(Cl)C=C1Cl I649 [0,1,0,0,0,0|2,0,0]=3 308 B11R1.166 NC(=O)C1=CC=C(Cl)N=C1N 9852AB [0,1,0,0,0,0|3,0,0]=4 309 B11R1.166 NC(=O)C1=CC=C(F)C=C1Cl N615 [0,1,0,0,0,0|2,0,0]=3 310 B11R1.166 NC(=O)C1=CC=C(F)C=C1N Z3951 [0,1,0,0,0,0|2,0,0]=3 311 B11R1.166 NC(=O)C1=CC=C(N)C=C1F 2625AJ [0,1,0,0,0,0|2,0,0]=3 312 B11R1.166 NC(=O)C1=CC=C(N)C=C1O 8918AB [0,1,0,0,0,0|2,0,0]=3 313 B11R1.166 NC(=S)C1=C(Cl)C=C(Cl)C=C1 2662AB [0,1,0,0,0,0|2,1,0]=4 314 B11R1.166 NC1=C(C(=O)O)C=CC(Br)=N1 X9391 [0,1,0,0,0,0|2,0,0]=3 315 B11R1.166 NC1=C(C(=O)O)C=CC(Cl)=N1 W7166 [0,1,0,0,0,0|2,0,0]=3 316 B11R1.166 NC1=C(C(=O)O)C=NC(=O)N1 4638AB [0,1,0,0,0,0|2,0,1]=4 317 B11R1.166 NC1=C(C(=O)O)C=NC(Cl)=C1 1373AA [0,1,0,0,0,0|2,0,0]=3 318 B11R1.166 NC1=CC(I)=CC=C1C(=O)O W4360 [0,1,0,0,0,0|1,0,0]=2 319 B11R1.166 NC1=CC(O)=C(C(=O)O)C=C1 R830 [0,1,0,0,0,0|1,0,0]=2 320 B11R1.166 NC1=CC(O)=C(C(=O)[O-])C=C1 6048AA [0,1,0,0,0,0|1,0,1]=3 321 B11R1.166 NC1=CC(O)=CC=C1C(=O)O X8023 [0,1,0,0,0,0|0,0,0]=1 322 B11R1.166 NC1=CC=C(C(=O)[O-])C(O)=C1 P262 [0,1,0,0,0,0|1,0,1]=3 323 B11R1.166 NC1=CC=C([N+](=O)[O-])C(N)=C1 F769 [0,1,0,0,0,0|2,0,1]=4 324 B11R1.166 NC1=NC(Cl)=NC=C1C(=O)O 2075AC [0,1,0,0,0,0|3,0,0]=4 325 B11R1.166 NC1=NC=C(C(=O)O)C(N)=N1 Z2443 [0,1,0,0,0,0|3,0,0]=4 326 B11R1.166 O=C(O)C1=C(Br)C=C(Br)C=N1 9274AB [0,1,0,0,0,0|2,0,0]=3 327 B11R1.166 O=C(O)C1=C(Br)C=C(Br)N=C1 1337AC [0,1,0,0,0,0|2,0,0]=3 328 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=C1 5021AH [0,1,0,0,0,0|0,0,0]=1 329 B11R1.166 O=C(O)C1=C(F)N=C(Cl)C=C1 Z3983 [0,1,0,0,0,0|2,0,0]=3 330 B11R1.166 O=C(O)C1=CC=C(Br)N=C1Br W6933 [0,1,0,0,0,0|2,0,0]=3 331 B11R1.166 O=C(O)C1=CC=C(Br)N=C1F Z8316 [0,1,0,0,0,0|2,0,0]=3 332 B11R1.166 O=C(O)C1=CN=C(Cl)N=C1Cl X2143 [0,1,0,0,0,0|3,0,0]=4 333 B11R1.166 O=C(O)C1=CN=C(O)C=C1Cl Z5074 [0,1,0,0,0,0|1,0,0]=2 334 B11R1.166 O=C(O)C1=NC=C(Br)C=C1F Y9776 [0,1,0,0,0,0|2,0,0]=3 335 B11R1.166 O=C(O)C1=NC=C(Cl)N=C1Cl Y8676 [0,1,0,0,0,0|3,0,0]=4 336 B11R1.166 O=C(O)C1=NC=C(F)C=C1Br Y7202 [0,1,0,0,0,0|2,0,0]=3 337 B11R1.166 O=[N+]([O-])C1=C(O)C=C(O)C=C1 3437AB [0,1,0,0,0,0|1,0,1]=3 338 B11R1.166 O=[N+]([O-])C1=CC=C(Cl)C=C1Br W7568 [0,1,0,0,0,0|2,0,1]=4 339 B11R1.166 O=[N+]([O-])C1=CC=C(I)C=C1F V5003 [0,1,0,0,0,0|2,0,1]=4 340 B11R1.166 O=[N+]([O-])C1=CC=C(O)C=C1Br Z4867 [0,1,0,0,0,0|1,0,1]=3 341 B11R1.166 OB(O)C1=CC=C(Br)C=C1Cl Y3588 [0,1,0,0,0,0|2,0,1]=4 342 B11R1.166 OB(O)C1=CC=C(Br)C=C1F X0626 [0,1,0,0,0,0|2,0,1]=4 343 B11R1.166 OB(O)C1=CC=C(Cl)C=C1Br Z1311 [0,1,0,0,0,0|2,0,1]=4 344 B11R1.166 OB(O)C1=CC=C(Cl)C=C1O Z8731 [0,1,0,0,0,0|2,0,1]=4 345 B11R1.166 OB(O)C1=CC=C(F)C=C1Br Y3859 [0,1,0,0,0,0|2,0,1]=4 346 B11R1.166 OB(O)C1=CC=C(F)C=C1O V1926 [0,1,0,0,0,0|2,0,1]=4 347 B11R1.166 OB(O)C1=CC=C(O)C=C1Cl X0991 [0,1,0,0,0,0|1,0,1]=3 348 B11R2.34 OC1=CC=C(C2CC2)C=C1 Z3817 [0,0,0,1,0,0|2,0,1]=4 349 B9R1.35 CC(=O)C1=CSC(Br)=C1 W7213 [0,0,0,0,1,0|3,0,0]=4 350 B9R1.35 CC(=O)C1=CSC(Cl)=C1 Z0709 [0,0,0,0,1,0|3,0,0]=4 351 B9R1.35 CC1=CC(C(=O)O)=CO1 Y8297 [0,0,0,0,1,0|2,0,0]=3 352 B9R1.35 CC1=CC(C(=O)O)=CS1 Y8110 [0,0,0,0,1,0|2,0,0]=3 353 B9R1.35 CC1=CN=C(C(=O)O)S1 X0108 [0,0,0,0,1,0|3,0,0]=4 354 B9R1.35 CC1=CSC(C(=O)O)=C1 Z0185 [0,0,0,0,1,0|2,0,0]=3 355 B9R1.35 CC1=CSC(C(=O)O)=N1 X0105 [0,0,0,0,1,0|3,0,0]=4 356 B9R1.35 CC1=CSC(C(N)=O)=C1 Y4172 [0,0,0,0,1,0|3,0,0]=4 357 B9R1.35 CC1=NC(C(=O)O)=CN1 W3181 [0,0,0,0,1,0|3,0,0]=4 358 B9R1.35 CC1=NC(C(=O)O)=CO1 W4681 [0,0,0,0,1,0|3,0,0]=4 359 B9R1.35 CC1=NC(C(=O)O)=CS1 W5694 [0,0,0,0,1,0|3,0,0]=4 360 B9R1.35 CC1=NC=C(C(=O)O)O1 Y5240 [0,0,0,0,1,0|3,0,0]=4 361 B9R1.35 CN1C=CC(C(=O)O)=C1 W5804 [0,0,0,0,1,0|2,0,0]=3 362 B9R1.35 NC(=O)C1=CC(Br)=CN1 V4097 [0,0,0,0,1,0|3,0,0]=4 363 B9R1.35 NC(=O)C1=CC(Br)=CO1 6539AC [0,0,0,0,1,0|3,0,0]=4 364 B9R1.35 NC(=O)C1=CC(Br)=CS1 V7917 [0,0,0,0,1,0|3,0,0]=4 365 B9R1.35 NC(=O)C1=CC=C(Br)O1 6684AE [0,0,0,0,1,0|3,0,0]=4 366 B9R1.35 NC(=O)C1=CC=C(Br)S1 Z2951 [0,0,0,0,1,0|3,0,0]=4 367 B9R1.35 NC(=O)C1=CC=C(Cl)S1 7651AD [0,0,0,0,1,0|3,0,0]=4 368 B9R1.35 NC1=NNC(C(=O)O)=C1 4542AA [0,0,0,0,1,0|3,0,0]=4 369 B9R1.35 O=C(O)C1=CC(Br)=CO1 Z4623 [0,0,0,0,1,0|2,0,0]=3 370 B9R1.35 O=C(O)C1=CC(Br)=NO1 W7690 [0,0,0,0,1,0|3,0,0]=4 371 B9R1.35 O=C(O)C1=CC=C(F)S1 W6292 [0,0,0,0,1,0|2,0,0]=3 372 B9R1.35 O=C(O)C1=CC=C(I)S1 8970AB [0,0,0,0,1,0|2,0,0]=3 373 B9R1.35 O=C(O)C1=COC(Br)=C1 5491AJ [0,0,0,0,1,0|2,0,0]=3 374 B9R1.35 O=C(O)C1=COC(Br)=N1 Z3924 [0,0,0,0,1,0|3,0,0]=4 375 B9R1.35 O=C(O)C1=CSC(Br)=N1 W6688 [0,0,0,0,1,0|3,0,0]=4 376 B9R1.35 O=C(O)C1=CSC(Cl)=C1 W5762 [0,0,0,0,1,0|2,0,0]=3 377 B9R1.35 O=C(O)C1=CSC(Cl)=N1 W6687 [0,0,0,0,1,0|3,0,0]=4 378 B9R1.35 O=C(O)C1=NC=C(Br)S1 Y4853 [0,0,0,0,1,0|3,0,0]=4 379 B9R1.35 O=C(O)C1=NNC(Br)=C1 6022AA [0,0,0,0,1,0|3,0,0]=4 380 B9R1.35 O=C(O)C1=NNC(Cl)=C1 Y4463 [0,0,0,0,1,0|3,0,0]=4 381 B9R1.35 O=C(O)C1=NNC(O)=C1 4841AC [0,0,0,0,1,0|2,0,0]=3 382 B9R1.35 O=C1NC=C(C(=O)O)N1 V5719 [0,0,0,0,1,0|2,0,1]=4 383 B11R1.20 CC(=O)CC1=CC=C(Br)C=C1 9287AB [0,0,0,0,0,1|2,0,0]=3 384 B11R1.20 CC(=O)CC1=CC=C(C)C=C1 7126AD [0,0,0,0,0,1|2,0,0]=3 385 B11R1.20 CC(=O)CC1=CC=C(I)C=C1 1094AB [0,0,0,0,0,1|2,0,0]=3 386 B11R1.20 CC(=O)CC1=CC=C(O)C=C1 Q226 [0,0,0,0,0,1|1,0,0]=2 387 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 9364AB [0,0,0,0,0,1|2,0,0]=3 388 B11R1.20 CC(=O)NC1=NC=C(Br)C=C1 W8064 [0,0,0,0,0,1|3,0,0]=4 389 B11R1.20 CC(=O)NC1=NC=C(F)C=C1 N473 [0,0,0,0,0,1|3,0,0]=4 390 B11R1.20 CC(=O)NC1=NC=C(I)C=C1 Y9762 [0,0,0,0,0,1|3,0,0]=4 391 B11R1.20 CC(=O)OC1=CC=C(O)C=C1 3597AB [0,0,0,0,0,1|1,0,0]=2 392 B11R1.20 CC(C)OC1=CC=C(O)C=C1 Y9996 [0,0,0,0,0,1|2,0,1]=4 393 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 X3804 [0,0,0,0,0,1|2,0,0]=3 394 B11R1.20 FC(F)=CC1=CC=C(Br)C=C1 4778AL [0,0,0,0,0,1|3,0,0]=4 395 B11R1.20 FC1=CC=C(OC(=S)Cl)C=C1 6504AL [0,0,0,0,0,1|2,1,0]=4 396 B11R1.20 NC(=O)CC1=CC=C(Br)C=C1 1638AC [0,0,0,0,0,1|2,0,0]=3 397 B11R1.20 NC(=O)CC1=CC=C(Cl)C=C1 Y6115 [0,0,0,0,0,1|2,0,0]=3 398 B11R1.20 NC(=O)NC1=CC=C(Br)C=C1 6622AD [0,0,0,0,0,1|2,0,0]=3 399 B11R1.20 NC(=S)CC1=CC=C(Cl)C=C1 V3810 [0,0,0,0,0,1|2,1,0]=4 400 B11R1.20 O=C(Cl)OC1=CC=C(Cl)C=C1 1997AC [0,0,0,0,0,1|2,0,0]=3 401 B11R1.20 O=C(O)CC1=CC=C(S)C=C1 5630AH [0,0,0,0,0,1|0,1,0]=2 402 B11R1.20 O=C(O)CC1=NC=C(Br)C=N1 X9054 [0,0,0,0,0,1|3,0,0]=4 403 B11R1.20 OC1=CC=C(OC(F)F)C=C1 V8554 [0,0,0,0,0,1|2,0,1]=4 404 B8R0.28 O=C(O)\C=C\CC(=O)O C638 [1,0,1,0,0,0|1,0,1]=4 405 B8R1.2 Cl[Hg]C1=CC=CC=C1 7627AF [2,0,0,0,0,0|2,0,0]=4 406 B8R1.2 N#CC1=CC=CC=C1 E085 [2,0,0,0,0,0|1,0,1]=4 407 B8R1.2 O=CC1=CC=NC=N1 W4791 [2,0,0,0,0,0|2,0,0]=4 408 B8R1.3 NC1=CN=C(O)C=C1 V5265 [2,0,0,0,0,0|2,0,0]=4 409 B8R1.3 NC1=NC=C(O)C=C1 V8126 [2,0,0,0,0,0|2,0,0]=4 410 B8R1.3 OC1=CN=C(I)C=C1 5466AA [2,0,0,0,0,0|2,0,0]=4 411 B8R1.3 [O-]C1=CC=C(Cl)C=C1 3305AA [2,0,0,0,0,0|1,0,1]=4 412 B10R1.1 CC1=CC=C(NC=O)C=C1 6608AL [1,1,0,0,0,0|1,0,0]=3 413 B10R1.1 COCC1=CC=C(Br)C=C1 Z0209 [1,1,0,0,0,0|1,0,1]=4 414 B10R1.1 COCC1=CC=C(N)C=C1 V7837 [1,1,0,0,0,0|1,0,1]=4 415 B10R1.1 NOCC1=CC=C(F)C=C1 9348AA [1,1,0,0,0,0|1,0,1]=4 416 B10R1.1 O=CCC1=CC=C(Br)C=C1 W5028 [1,1,0,0,0,0|1,0,0]=3 417 B10R1.1 O=CCC1=CC=C(Cl)C=C1 W6225 [1,1,0,0,0,0|1,0,0]=3 418 B10R1.1 O=CCC1=CC=C(F)C=C1 8959AA [1,1,0,0,0,0|1,0,0]=3 419 B10R1.1 O=CNC1=CC=C(Cl)C=C1 3649AL [1,1,0,0,0,0|1,0,0]=3 420 B10R1.1 O=CNC1=CC=C(F)C=C1 8342AL [1,1,0,0,0,0|1,0,0]=3 421 B10R1.1 OC1=CC=C(CCBr)C=C1 6870AA [1,1,0,0,0,0|1,0,1]=4 422 B10R1.1 OCCC1=CC=C(I)C=C1 W6745 [1,1,0,0,0,0|1,0,1]=4 423 B10R1.3 C=CC1=CC=C(CN)C=C1 X4444 [1,1,0,0,0,0|2,0,0]=4 424 B10R1.3 CCC1=CC=C(C=O)N=C1 5847AH [1,1,0,0,0,0|2,0,0]=4 425 B10R1.3 CNC1=CC=C(OC)C=C1 Z6803 [1,1,0,0,0,0|2,0,0]=4 426 B10R1.3 COC1=CC=C(NN)C=C1 4215AB [1,1,0,0,0,0|2,0,0]=4 427 B10R1.3 COC1=CC=C(SC)C=C1 I355 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.3 COC1=CN=C(CO)C=C1 X9716 [1,1,0,0,0,0|1,0,1]=4 429 B10R1.3 COC1=NC=C(C=O)N=C1 3578AB [1,1,0,0,0,0|2,0,0]=4 430 B10R1.3 NCC1=CC=C(CO)C=C1 W6028 [1,1,0,0,0,0|1,0,1]=4 431 B10R1.25 CC1=CC(Br)=CN=C1C=O Y8917 [1,1,0,0,0,0|2,0,0]=4 432 B10R1.25 CC1=CC(Cl)=CC=C1CO Z0039 [1,1,0,0,0,0|1,0,1]=4 433 B10R1.25 CC1=CC(Cl)=NC=C1C=O W9076 [1,1,0,0,0,0|2,0,0]=4 434 B10R1.25 CC1=CC(O)=CC=C1C=O W6182 [1,1,0,0,0,0|0,0,0]=2 435 B10R1.25 CC1=CC=C(C=O)C(C)=N1 Y9726 [1,1,0,0,0,0|2,0,0]=4 436 B10R1.25 CC1=CC=C(C=O)C(Cl)=C1 W6599 [1,1,0,0,0,0|1,0,0]=3 437 B10R1.25 CC1=CC=C(C=O)C(Cl)=N1 Y4688 [1,1,0,0,0,0|2,0,0]=4 438 B10R1.25 CC1=CC=C(C=O)C(O)=C1 X2734 [1,1,0,0,0,0|1,0,0]=3 439 B10R1.25 CC1=CC=C(CO)C(N)=C1 2629AC [1,1,0,0,0,0|1,0,1]=4 440 B10R1.25 CC1=NC(Cl)=CC=C1C=O Z0990 [1,1,0,0,0,0|2,0,0]=4 441 B10R1.25 COC1=C(O)C=C(O)C=C1 9124AB [1,1,0,0,0,0|2,0,0]=4 442 B10R1.25 COC1=CC=C(O)C=C1C Z0198 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.25 N#CC1=CC=C(O)C=C1O W7608 [1,1,0,0,0,0|1,0,1]=4 444 B10R1.25 NC1=CC(Br)=CC=C1C=O W7224 [1,1,0,0,0,0|1,0,0]=3 445 B10R1.25 NC1=CC(Br)=CC=C1CO V9454 [1,1,0,0,0,0|1,0,1]=4 446 B10R1.25 NC1=CC=C(C=O)C(Br)=C1 X5129 [1,1,0,0,0,0|1,0,0]=3 447 B10R1.25 O=CC1=CC=C(Br)C=C1Br 8235AB [1,1,0,0,0,0|1,0,0]=3 448 B10R1.25 O=CC1=CC=C(Br)N=C1Br Z0686 [1,1,0,0,0,0|2,0,0]=4 449 B10R1.25 O=CC1=CC=C(F)N=C1F Y7649 [1,1,0,0,0,0|2,0,0]=4 450 B10R1.25 O=CC1=CC=C(I)C=C1Br W4958 [1,1,0,0,0,0|1,0,0]=3 451 B10R1.25 O=CC1=CC=C(O)C=C1Br Z4448 [1,1,0,0,0,0|0,0,0]=2 452 B10R1.25 O=CC1=CC=C(O)C=C1I 4988AC [1,1,0,0,0,0|0,0,0]=2 453 B10R1.25 OCC1=C(O)C=C(Br)C=C1 8742AA [1,1,0,0,0,0|1,0,1]=4 454 B10R1.25 OCC1=CC=C(Br)C=C1Br V7191 [1,1,0,0,0,0|1,0,1]=4 455 B10R1.25 OCC1=CC=C(Br)C=C1Cl Z0302 [1,1,0,0,0,0|1,0,1]=4 456 B10R1.176 CC1=C(Cl)N=CC(C=O)=C1 Z0279 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.176 CC1=CC(C=O)=CC=C1Cl Y3523 [1,1,0,0,0,0|1,0,0]=3 458 B10R1.176 CC1=CC(C=O)=CN=C1F Y4480 [1,1,0,0,0,0|2,0,0]=4 459 B10R1.176 CC1=CC(C=O)=NC=C1Br Z1005 [1,1,0,0,0,0|2,0,0]=4 460 B10R1.176 CC1=CC(CO)=CC=C1Br W3250 [1,1,0,0,0,0|1,0,1]=4 461 B10R1.176 CC1=CC(CO)=CC=C1F V4762 [1,1,0,0,0,0|1,0,1]=4 462 B10R1.176 CC1=CC=C(C=O)C=C1Cl W5560 [1,1,0,0,0,0|1,0,0]=3 463 B10R1.176 CC1=CC=C(CO)C=C1Br Z0777 [1,1,0,0,0,0|1,0,1]=4 464 B10R1.176 CCC1=CC(Br)=C(O)C=C1 7273AE [1,1,0,0,0,0|1,0,1]=4 465 B10R1.176 CCC1=CC(O)=C(O)C=C1 2184AA [1,1,0,0,0,0|1,0,1]=4 466 B10R1.176 COC1=CC(N)=C(O)C=C1 0175AE [1,1,0,0,0,0|2,0,0]=4 467 B10R1.176 COC1=CC=C(O)C(C)=C1 Y5462 [1,1,0,0,0,0|2,0,0]=4 468 B10R1.176 NC1=C(F)C=CC(CO)=C1 7761AD [1,1,0,0,0,0|1,0,1]=4 469 B10R1.176 NC1=CC(CO)=CC=C1Br Z9064 [1,1,0,0,0,0|1,0,1]=4 470 B10R1.176 NC1=CC=C(CO)C=C1F 7228AA [1,1,0,0,0,0|1,0,1]=4 471 B10R1.176 O=CC1=CC(F)=C(Cl)N=C1 V9495 [1,1,0,0,0,0|2,0,0]=4 472 B10R1.176 O=CC1=CC=C(Br)C(Br)=C1 1492AC [1,1,0,0,0,0|1,0,0]=3 473 B10R1.176 O=CC1=CC=C(Br)C(O)=C1 V4155 [1,1,0,0,0,0|1,0,0]=3 474 B10R1.176 O=CC1=CN=C(Cl)C(Cl)=C1 W8061 [1,1,0,0,0,0|2,0,0]=4 475 B10R1.176 OCC1=CC(O)=C(O)C=C1 5062AB [1,1,0,0,0,0|0,0,1]=3 476 B10R1.176 OCC1=CC=C(Br)C(Cl)=C1 Y3805 [1,1,0,0,0,0|1,0,1]=4 477 B10R1.176 OCC1=CC=C(Cl)C(Br)=C1 X8250 [1,1,0,0,0,0|1,0,1]=4 478 B10R1.15 C=C(CC)C1=CC=CC=C1 0460AB [1,1,0,0,0,0|2,0,0]=4 479 B10R1.15 C=CC(=O)C1=CC=CC=C1 1968AC [1,1,0,0,0,0|1,0,0]=3 480 B10R1.15 C=CS(=O)C1=CC=CC=C1 0500AB [1,1,0,0,0,0|2,0,0]=4 481 B10R1.15 CCC(=O)C1=CC=CN=C1 Y5018 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.15 CCC(=O)C1=NC=CC=C1 Y6177 [1,1,0,0,0,0|2,0,0]=4 483 B10R1.15 CC[C@@H](O)C1=CC=CC=C1 7435AJ [1,1,0,0,0,0|1,0,1]=4 484 B10R1.15 COC(=N)C1=CC=NC=C1 4422AB [1,1,0,0,0,0|2,0,0]=4 485 B10R1.15 COC(=N)C1=NC=CC=C1 3585AL [1,1,0,0,0,0|2,0,0]=4 486 B10R1.15 COC(=O)C1=CC=NN=C1 W5569 [1,1,0,0,0,0|2,0,0]=4 487 B10R1.15 COS(=O)C1=CC=CC=C1 0314AC [1,1,0,0,0,0|1,0,0]=3 488 B10R1.15 C\C(=N\O)C1=CC=CN=C1 V6841 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.15 C\C(=N\O)C1=CC=NC=C1 Z8096 [1,1,0,0,0,0|2,0,0]=4 490 B10R1.15 C\C(=N\O)C1=NC=CC=C1 V3827 [1,1,0,0,0,0|2,0,0]=4 491 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 X3539 [1,1,0,0,0,0|1,0,1]=4 492 B10R1.15 N\C(=N/O)C1=CC=CC=C1 3148AL [1,1,0,0,0,0|1,0,0]=3 493 B10R1.15 O=C(CBr)C1=CC=CC=N1 5318AB [1,1,0,0,0,0|2,0,0]=4 494 B10R1.15 O=C(CBr)C1=CC=CN=C1 C113 [1,1,0,0,0,0|2,0,0]=4 495 B10R1.15 O=C(N[O-])C1=CC=CC=C1 7120AL [1,1,0,0,0,0|0,0,1]=3 496 B10R1.15 O=C(N[O-])C1=CC=CC=C1 7846AF [1,1,0,0,0,0|0,0,1]=3 497 B10R1.15 O=C(O[Ag])C1=CC=CC=C1 7828AF [1,1,0,0,0,0|0,0,0]=2 498 B10R1.28 O=P([O-])([O-])C1=CC=CC=C1 8802AL [1,1,0,0,0,0|1,0,1]=4 499 B10R1.28 O=S(=O)([O-])C1=CC=CC=C1 9505AJ [1,1,0,0,0,0|1,0,1]=4 500 B10R1.28 O[B-](O)(O)C1=CC=CC=C1 8966AL [1,1,0,0,0,0|1,0,1]=4 501 B10R1.61 CC(=O)C1=C(Br)C=NC=C1 2023AA [1,1,0,0,0,0|2,0,0]=4 502 B10R1.61 CC(=O)C1=C(F)C=NC=C1 W9003 [1,1,0,0,0,0|2,0,0]=4 503 B10R1.61 CC(=O)C1=CC=CN=C1Br W8693 [1,1,0,0,0,0|2,0,0]=4 504 B10R1.61 CC(=O)C1=CC=CN=C1C Y7806 [1,1,0,0,0,0|2,0,0]=4 505 B10R1.61 CC(=O)C1=CC=CN=C1Cl W6955 [1,1,0,0,0,0|2,0,0]=4 506 B10R1.61 CC(=O)C1=CC=CN=C1F Y4110 [1,1,0,0,0,0|2,0,0]=4 507 B10R1.61 CC(=O)C1=CC=NC=C1N 5933AA [1,1,0,0,0,0|2,0,0]=4 508 B10R1.61 CC(=O)C1=NC=CC=C1Br Z3887 [1,1,0,0,0,0|2,0,0]=4 509 B10R1.61 CC(O)C1=C(Br)C=CC=C1 4894AJ [1,1,0,0,0,0|1,0,1]=4 510 B10R1.61 CC(O)C1=CC=CC=C1F X8296 [1,1,0,0,0,0|1,0,1]=4 511 B10R1.61 CC(O)C1=CC=CC=C1N Z6783 [1,1,0,0,0,0|1,0,1]=4 512 B10R1.61 CC1=C(C(=O)O)C=CC=N1 1002AB [1,1,0,0,0,0|1,0,0]=3 513 B10R1.61 CC1=C(C(N)=O)C=CC=N1 W7162 [1,1,0,0,0,0|2,0,0]=4 514 B10R1.61 CC1=C(C(N)=O)C=NC=C1 X7929 [1,1,0,0,0,0|2,0,0]=4 515 B10R1.61 CC1=CC=CC=C1C(=N)N 1807AJ [1,1,0,0,0,0|2,0,0]=4 516 B10R1.61 CC1=CC=CC=C1C(=N)N 5089AH [1,1,0,0,0,0|2,0,0]=4 517 B10R1.61 CC1=CC=NC=C1C(=O)O W9651 [1,1,0,0,0,0|1,0,0]=3 518 B10R1.61 CC1=NC=CN=C1C(=O)O W6160 [1,1,0,0,0,0|2,0,0]=4 519 B10R1.61 C[C@@H](O)C1=C(F)C=CC=C1 8241AA [1,1,0,0,0,0|1,0,1]=4 520 B10R1.61 N=C(N)C1=CC=CC=C1Br Y9512 [1,1,0,0,0,0|2,0,0]=4 521 B10R1.61 N=C(N)C1=CC=CC=C1Cl Y8078 [1,1,0,0,0,0|2,0,0]=4 522 B10R1.61 N=C(N)C1=CC=CC=C1F W7062 [1,1,0,0,0,0|2,0,0]=4 523 B10R1.61 NC(=O)C1=C(Br)C=NC=C1 W3053 [1,1,0,0,0,0|2,0,0]=4 524 B10R1.61 NC(=O)C1=C(F)N=CC=C1 W5777 [1,1,0,0,0,0|2,0,0]=4 525 B10R1.61 NC(=O)C1=C(N)C=CN=C1 W8196 [1,1,0,0,0,0|2,0,0]=4 526 B10R1.61 NC(=O)C1=C(N)C=NC=C1 W7596 [1,1,0,0,0,0|2,0,0]=4 527 B10R1.61 NC(=O)C1=CC=CN=C1N Y7441 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.61 NC(=O)C1=NC=CC=C1N W6587 [1,1,0,0,0,0|2,0,0]=4 529 B10R1.61 NC(=S)C1=C(O)C=CC=C1 5069AH [1,1,0,0,0,0|1,1,0]=4 530 B10R1.61 NC(=S)C1=CC=CC=C1F I217 [1,1,0,0,0,0|1,1,0]=4 531 B10R1.61 NC1=C(C(=O)O)C=NC=N1 W4353 [1,1,0,0,0,0|2,0,0]=4 532 B10R1.61 NC1=CC=CC=C1[N+](=O)[O-] 5751AL [1,1,0,0,0,0|1,0,1]=4 533 B10R1.61 NC1=CN=CC=C1C(=O)O 9458AJ [1,1,0,0,0,0|1,0,0]=3 534 B10R1.61 NC1=NN=CC=C1C(=O)O W4411 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.61 O=C(O)C1=C(Br)C=NC=N1 W7597 [1,1,0,0,0,0|2,0,0]=4 536 B10R1.61 O=C(O)C1=C(Cl)C=NC=N1 Y9704 [1,1,0,0,0,0|2,0,0]=4 537 B10R1.61 O=C(O)C1=C(O)C=CC=C1 7849AF [1,1,0,0,0,0|0,0,0]=2 538 B10R1.61 O=C(O)C1=C(O)N=CN=C1 W7701 [1,1,0,0,0,0|2,0,0]=4 539 B10R1.61 O=C(O)C1=CC=NNC1=O Z4861 [1,1,0,0,0,0|2,0,0]=4 540 B10R1.61 O=C(O)C1=NC=CC=C1I W8180 [1,1,0,0,0,0|1,0,0]=3 541 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 7836AF [1,1,0,0,0,0|0,0,1]=3 542 B10R1.61 O=C([O-])C1=C(S)C=CC=C1 9154AL [1,1,0,0,0,0|0,0,1]=3 543 B10R1.61 OB(O)C1=CC=CC=C1I Y3509 [1,1,0,0,0,0|1,0,1]=4 544 B10R1.113 CC(=O)C1=CC(Br)=NC=C1 3551AC [1,1,0,0,0,0|2,0,0]=4 545 B10R1.113 CC(=O)C1=CC(C)=NC=C1 W5046 [1,1,0,0,0,0|2,0,0]=4 546 B10R1.113 CC(=O)C1=CC(Cl)=NC=C1 Y8387 [1,1,0,0,0,0|2,0,0]=4 547 B10R1.113 CC(=O)C1=CC(F)=CN=C1 4092AB [1,1,0,0,0,0|2,0,0]=4 548 B10R1.113 CC(=O)C1=CC=CC(Cl)=N1 1448AL [1,1,0,0,0,0|2,0,0]=4 549 B10R1.113 CC(=O)C1=CN=CC(C)=C1 5943AB [1,1,0,0,0,0|2,0,0]=4 550 B10R1.113 CC(=O)C1=C[N+]([O-])=CC=C1 X3366 [1,1,0,0,0,0|2,0,0]=4 551 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 8967AB [1,1,0,0,0,0|2,0,0]=4 552 B10R1.113 CC(O)C1=CC(Cl)=CC=C1 4933AJ [1,1,0,0,0,0|1,0,1]=4 553 B10R1.113 CC(O)C1=CC(F)=CC=C1 2665AE [1,1,0,0,0,0|1,0,1]=4 554 B10R1.113 CC(O)C1=CC(O)=CC=C1 4940AJ [1,1,0,0,0,0|1,0,1]=4 555 B10R1.113 CC(O)C1=CC=CC(N)=C1 W4803 [1,1,0,0,0,0|1,0,1]=4 556 B10R1.113 CC1=CC(C(N)=O)=CC=C1 F917 [1,1,0,0,0,0|1,0,0]=3 557 B10R1.113 CC1=CC=CC(C(=N)N)=C1 0599AB [1,1,0,0,0,0|2,0,0]=4 558 B10R1.113 CC1=CC=CC(C(C)O)=C1 8099AF [1,1,0,0,0,0|1,0,1]=4 559 B10R1.113 CC1=NC=CC(C(=O)O)=N1 X9944 [1,1,0,0,0,0|2,0,0]=4 560 B10R1.113 C[C@@H](O)C1=CC(Br)=CC=C1 6220AA [1,1,0,0,0,0|1,0,1]=4 561 B10R1.113 C[C@H](O)C1=CC=CC(Cl)=C1 6282AA [1,1,0,0,0,0|1,0,1]=4 562 B10R1.113 C[N+]1=CC(C(N)=O)=CC=C1 6013AL [1,1,0,0,0,0|2,0,0]=4 563 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 Y6780 [1,1,0,0,0,0|2,0,0]=4 564 B10R1.113 NC(=O)C1=CC(N)=CN=C1 W7302 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.113 NC(=O)C1=CC=CC(Cl)=C1 Y9632 [1,1,0,0,0,0|1,0,0]=3 566 B10R1.113 NC(=O)C1=NC(Cl)=CC=C1 Y9875 [1,1,0,0,0,0|2,0,0]=4 567 B10R1.113 NC(=O)C1=NC=CC(Br)=C1 9338AB [1,1,0,0,0,0|2,0,0]=4 568 B10R1.113 NC(=O)C1=NC=CC(F)=C1 Y7165 [1,1,0,0,0,0|2,0,0]=4 569 B10R1.113 NC(=S)C1=CC=CC(Br)=C1 V4474 [1,1,0,0,0,0|1,1,0]=4 570 B10R1.113 NC(=S)C1=CC=CC(F)=C1 V7493 [1,1,0,0,0,0|1,1,0]=4 571 B10R1.113 NC(=S)C1=CC=CC(I)=C1 8330AC [1,1,0,0,0,0|1,1,0]=4 572 B10R1.113 NC1=CC(B(O)O)=CC=C1 N846 [1,1,0,0,0,0|1,0,1]=4 573 B10R1.113 NC1=CC(C(=O)O)=NC=C1 5565AH [1,1,0,0,0,0|1,0,0]=3 574 B10R1.113 NC1=CC(C(=O)O)=NC=C1 X8464 [1,1,0,0,0,0|1,0,0]=3 575 B10R1.113 NC1=CC(C(=O)O)=NC=C1 X9744 [1,1,0,0,0,0|1,0,0]=3 576 B10R1.113 NC1=CC(C(=O)[O-])=CC=C1 5988AL [1,1,0,0,0,0|0,0,1]=3 577 B10R1.113 NC1=CC=CC([N+](=O)[O-])=C1 6130AL [1,1,0,0,0,0|1,0,1]=4 578 B10R1.113 NC1=CN=CC(C(=O)O)=N1 W7370 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.113 NC1=NC=CC(C(=O)O)=N1 W4491 [1,1,0,0,0,0|2,0,0]=4 580 B10R1.113 O=C(Cl)C1=CC=CC(I)=C1 6069AL [1,1,0,0,0,0|1,0,0]=3 581 B10R1.113 O=C(O)C1=CC(Cl)=NC=N1 W5819 [1,1,0,0,0,0|2,0,0]=4 582 B10R1.113 O=C(O)C1=CC(I)=NC=C1 Y9547 [1,1,0,0,0,0|1,0,0]=3 583 B10R1.113 O=C(O)C1=CN=NC(Cl)=C1 9032AF [1,1,0,0,0,0|2,0,0]=4 584 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 B798 [1,1,0,0,0,0|2,0,0]=4 585 B10R1.113 O=C([O-])C1=CC=CC(F)=C1 X2825 [1,1,0,0,0,0|0,0,1]=3 586 B10R1.113 O=C1C=C(C(=O)O)C=NN1 W8905 [1,1,0,0,0,0|2,0,0]=4 587 B10R1.113 O=C1C=COC(C(=O)O)=C1 3223AL [1,1,0,0,0,0|1,0,0]=3 588 B10R1.113 O=C1N=CC=C(C(=O)O)N1 W9231 [1,1,0,0,0,0|2,0,0]=4 589 B10R1.113 OB(O)C1=CC=CC(S)=C1 N825 [1,1,0,0,0,0|1,0,1]=4 590 B10R1.14 COC(=O)C1=CC(Br)=CS1 Y6331 [0,1,0,0,1,0|2,0,0]=4 591 B10R1.14 COC(=O)C1=CC(C)=CS1 9170AD [0,1,0,0,1,0|2,0,0]=4 592 B10R1.14 COC(=O)C1=CC(Cl)=CS1 4042AC [0,1,0,0,1,0|2,0,0]=4 593 B10R1.14 COC(=O)C1=CC(I)=CN1 5541AB [0,1,0,0,1,0|2,0,0]=4 594 B10R1.14 COC(=O)C1=CC(N)=CS1 W9240 [0,1,0,0,1,0|2,0,0]=4 595 B10R1.14 COC(=O)C1=CC=C(Br)S1 W7425 [0,1,0,0,1,0|2,0,0]=4 596 B10R1.14 COC(=O)C1=CC=C(C)N1 3341AA [0,1,0,0,1,0|2,0,0]=4 597 B10R1.14 COC(=O)C1=CC=C(Cl)S1 3840AH [0,1,0,0,1,0|2,0,0]=4 598 B10R1.14 COC(=O)C1=CC=C(N)S1 7224AA [0,1,0,0,1,0|2,0,0]=4 599 B10R1.14 COC(=O)C1=CNC(Br)=C1 8344AA [0,1,0,0,1,0|2,0,0]=4 600 B10R1.14 COC(=O)C1=COC(C)=C1 4402AB [0,1,0,0,1,0|2,0,0]=4 601 B10R1.14 COC(=O)C1=CSC(C)=C1 4622AC [0,1,0,0,1,0|2,0,0]=4 602 B10R1.14 COC(=O)C1=CSC(Cl)=C1 0109AP [0,1,0,0,1,0|2,0,0]=4 603 B10R1.14 COC(=O)C1=NNC(O)=C1 0488AA [0,1,0,0,1,0|2,0,0]=4 604 B10R1.31 COC1=CC=C(C(=O)O)S1 6376AJ [0,1,0,0,1,0|1,0,0]=3 605 B10R1.31 COC1=CN=C(C(=O)O)O1 X5064 [0,1,0,0,1,0|2,0,0]=4 606 B10R1.31 N#CC1=CSC(C(=O)O)=C1 2708AL [0,1,0,0,1,0|2,0,0]=4 607 B10R1.31 NCC1=CC=C(C(=O)O)O1 3626AF [0,1,0,0,1,0|2,0,0]=4 608 B10R1.31 O=C(O)C1=CC(CO)=CS1 6990AA [0,1,0,0,1,0|1,0,0]=3 609 B10R1.31 O=CC1=CC=C(C(=O)O)N1 1060AC [0,1,0,0,1,0|1,0,1]=4 610 B10R1.31 O=CC1=CC=C(C(=O)O)S1 Z2524 [0,1,0,0,1,0|1,0,1]=4 611 B10R1.58 CC1=C(Br)SC(C(=O)O)=C1 7966AB [0,1,0,0,1,0|2,0,0]=4 612 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 5554AB [0,1,0,0,1,0|2,0,0]=4 613 B10R1.58 NC1=C(Br)SC(C(=O)O)=C1 Z5296 [0,1,0,0,1,0|2,0,0]=4 614 B10R1.58 O=C(O)C1=CC(Cl)=C(Cl)S1 W5325 [0,1,0,0,1,0|2,0,0]=4 615 B10R1.59 CC1=C(C(=O)O)SC(Br)=C1 X6375 [0,1,0,0,1,0|2,0,0]=4 616 B10R1.59 CN1C=C(Br)C=C1C(=O)O Z5238 [0,1,0,0,1,0|2,0,0]=4 617 B10R1.194 CC1=CNC(C(=O)O)=C1C 4880AC [0,1,0,0,1,0|2,0,0]=4 618 B10R1.194 CC1=CSC(C(=O)O)=C1C 4849AC [0,1,0,0,1,0|2,0,0]=4 619 B10R1.194 CN1C(Br)=CC=C1C(=O)O W8889 [0,1,0,0,1,0|2,0,0]=4 620 B10R1.194 O=C(O)C1=C(Br)C(Br)=CS1 V7521 [0,1,0,0,1,0|2,0,0]=4 621 B12R1.4 COC1=CC=C(NC(N)=S)C=C1 Y8351 [0,1,0,0,0,1|1,1,0]=4 622 B12R1.4 NCC1=CC=C(CC(=O)O)C=C1 X2669 [0,1,0,0,0,1|1,0,0]=3 623 B12R1.4 O=C(O)CC1=CC=C(CCl)C=C1 8192AB [0,1,0,0,0,1|1,0,0]=3 624 B12R1.4 O=CC1=CC=C(CC(=O)O)C=C1 4244AB [0,1,0,0,0,1|0,0,1]=3 625 B12R1.19 CC(=O)CC1=CC(Cl)=C(Cl)C=C1 9119AB [0,1,0,0,0,1|2,0,0]=4 626 B12R1.19 CC(=O)NC1=CC(Cl)=C(C)C=C1 8603AE [0,1,0,0,0,1|2,0,0]=4 627 B12R1.19 CC(=O)NC1=CC(Cl)=C(Cl)C=C1 7301AD [0,1,0,0,0,1|2,0,0]=4 628 B12R1.19 CC(=O)NC1=CC=C(Br)C(Cl)=C1 V4504 [0,1,0,0,0,1|2,0,0]=4 629 B12R1.19 CC(=O)NC1=CC=C(F)C(Br)=C1 Z6332 [0,1,0,0,0,1|2,0,0]=4 630 B12R1.19 CC(=O)NC1=CC=C(F)C(N)=C1 9081AC [0,1,0,0,0,1|2,0,0]=4 631 B12R1.19 CC(=O)NC1=CC=C(O)C(Cl)=C1 W5998 [0,1,0,0,0,1|1,0,0]=3 632 B12R1.19 CC1=C(O)C=CC(CC(=O)O)=C1 2940AB [0,1,0,0,0,1|0,0,0]=2 633 B12R1.19 CC1=CC(CC(=O)O)=CC=C1N 5220AJ [0,1,0,0,0,1|1,0,0]=3 634 B12R1.19 NC(=O)NC1=CC=C(Cl)C(Cl)=C1 W4708 [0,1,0,0,0,1|2,0,0]=4 635 B12R1.19 O=C(O)CC1=CC=C(Cl)C(Br)=C1 4957AC [0,1,0,0,0,1|1,0,0]=3 636 B12R1.19 O=C(O)CC1=CC=C(I)C(F)=C1 5069AA [0,1,0,0,0,1|1,0,0]=3 637 B12R1.19 O=C(O)CC1=CC=C(O)C(F)=C1 W6378 [0,1,0,0,0,1|0,0,0]=2 638 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 1258AA [0,1,0,0,0,1|2,0,0]=4 639 B12R1.20 NC(C(=O)O)C1=CC=C(Br)C=C1 W8014 [0,1,0,0,0,1|1,0,0]=3 640 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 Z4750 [0,1,0,0,0,1|1,0,0]=3 641 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(F)C=C1 6578AH [0,1,0,0,0,1|1,0,0]=3 642 B12R1.20 O=C(O)C(=O)C1=CC=C(Cl)C=C1 W8010 [0,1,0,0,0,1|1,0,0]=3 643 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 D212 [0,1,0,0,0,1|1,0,0]=3 644 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Cl)C=C1 3574AB [0,1,0,0,0,1|1,0,0]=3 645 B12R1.49 C=CC(=O)NC1=CC=C(Cl)C=C1 7891AB [0,1,0,0,0,1|2,0,0]=4 646 B12R1.49 CC1=CC=C(NC(=O)CBr)C=C1 5090AE [0,1,0,0,0,1|2,0,0]=4 647 B12R1.49 CC1=CC=C(OC(=O)CN)C=C1 X9825 [0,1,0,0,0,1|2,0,0]=4 648 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 3569AL [0,1,0,0,0,1|1,0,0]=3 649 B12R1.49 COC(=O)CC1=CC=C(Cl)N=C1 Z6313 [0,1,0,0,0,1|2,0,0]=4 650 B12R1.49 COC(=O)CC1=CC=C(I)C=C1 X5344 [0,1,0,0,0,1|1,0,0]=3 651 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 5559AB [0,1,0,0,0,1|1,0,1]=4 652 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 6908AB [0,1,0,0,0,1|1,0,1]=4 653 B12R1.49 N\C(CC1=CC=C(Br)C=C1)=N\O 3085AE [0,1,0,0,0,1|2,0,0]=4 654 B12R1.49 O=C(CBr)NC1=CC=C(F)C=C1 7471AD [0,1,0,0,0,1|2,0,0]=4 655 B12R1.49 O=C(CCl)NC1=CC=C(F)C=C1 1230AE [0,1,0,0,0,1|2,0,0]=4 656 B12R1.233 CC(=O)NC1=C(C)C=C(C)C=C1 6935AD [0,1,0,0,0,1|2,0,0]=4 657 B12R1.233 CC(=O)NC1=CC=C(F)C=C1C V5189 [0,1,0,0,0,1|2,0,0]=4 658 B12R1.233 CC(=O)NC1=CC=C(F)C=C1Cl X2927 [0,1,0,0,0,1|2,0,0]=4 659 B12R1.233 CC1=C(CC(=O)O)C=CC(F)=C1 5544AB [0,1,0,0,0,1|1,0,0]=3 660 B12R1.233 CC1=CC(C)=C(NC(N)=O)C=C1 9397AD [0,1,0,0,0,1|2,0,0]=4 661 B12R1.233 CC1=CC=C(CC(=O)O)C(C)=C1 X2163 [0,1,0,0,0,1|1,0,0]=3 662 B12R1.233 CC1=CC=C(CC(=O)O)C(F)=C1 7260AB [0,1,0,0,0,1|1,0,0]=3 663 B12R1.233 O=C(O)CC1=CC=C(Br)C=C1Br 1895AL [0,1,0,0,0,1|1,0,0]=3 664 B12R1.233 O=C(O)CC1=CC=C(Cl)C=C1Br W6743 [0,1,0,0,0,1|1,0,0]=3 665 B12R1.233 O=C(O)CC1=CC=C(O)C=C1F W7884 [0,1,0,0,0,1|0,0,0]=2 666 B12R1.5 CNC(=O)C1=CC=C(OC)C=C1 4042AB [0,2,0,0,0,0|1,0,0]=3 667 B12R1.5 COC(=O)C1=CC=C(C#N)N=C1 4894AC [0,2,0,0,0,0|2,0,0]=4 668 B12R1.5 COC(=O)C1=CN=C(C=O)C=C1 X8570 [0,2,0,0,0,0|1,0,1]=4 669 B12R1.5 COC(=O)C1=CN=C(CO)C=C1 W6988 [0,2,0,0,0,0|1,0,0]=3 670 B12R1.5 COC(=O)C1=NC=C(C=O)C=C1 Y9466 [0,2,0,0,0,0|1,0,1]=4 671 B12R1.5 COC(=O)C1=NC=C(OC)N=C1 Z3257 [0,2,0,0,0,0|2,0,0]=4 672 B12R1.5 COC1=CC=C(\C(Cl)=N\O)C=C1 2157AE [0,2,0,0,0,0|1,0,0]=3 673 B12R1.5 CSC1=CC=C(C(=O)CBr)C=C1 5495AH [0,2,0,0,0,0|1,1,0]=4 674 B12R1.5 CSC1=CC=C(C(=O)NN)C=C1 0024AF [0,2,0,0,0,0|1,1,0]=4 675 B12R1.5 N#CC1=CC=C(C(=O)NN)C=C1 W6257 [0,2,0,0,0,0|2,0,0]=4 676 B12R1.6 COC1=CC=C(P(=O)(O)O)C=C1 7410AD [0,2,0,0,0,0|1,0,0]=3 677 B12R1.6 COC1=CC=C(S(=O)(=O)F)C=C1 0499AQ [0,2,0,0,0,0|1,0,1]=4 678 B12R1.6 COC1=CC=C(S(C)(=O)=O)C=C1 V5418 [0,2,0,0,0,0|1,0,1]=4 679 B12R1.48 CC1=CC(B(O)O)=CC=C1CO X1737 [0,2,0,0,0,0|1,0,1]=4 680 B12R1.48 CNC1=CC=C(C(C)=O)C=C1N Y8046 [0,2,0,0,0,0|2,0,0]=4 681 B12R1.48 COC1=C(Br)N=C(C(=O)O)C=C1 Z3030 [0,2,0,0,0,0|1,0,0]=3 682 B12R1.48 COC1=CC=C(B(O)O)C=C1Cl N290 [0,2,0,0,0,0|1,0,1]=4 683 B12R1.48 COC1=CC=C(C(=O)O)C=C1I V7285 [0,2,0,0,0,0|0,0,0]=2 684 B12R1.48 COC1=CC=C(C(C)=O)C=C1Br X8264 [0,2,0,0,0,0|1,0,0]=3 685 B12R1.48 COC1=CC=C(C(C)=O)C=C1Cl 1930AE [0,2,0,0,0,0|1,0,0]=3 686 B12R1.48 COC1=CC=C(C(C)=O)C=C1O W7333 [0,2,0,0,0,0|1,0,0]=3 687 B12R1.48 COC1=CC=C(C(N)=O)C=C1N I273 [0,2,0,0,0,0|1,0,0]=3 688 B12R1.48 COC1=CC=C([N+](=O)[O-])C=C1N X4415 [0,2,0,0,0,0|1,0,1]=4 689 B12R1.48 COC1=NC=C(C(=O)O)C=C1Cl W9071 [0,2,0,0,0,0|1,0,0]=3 690 B12R1.48 COC1=NC=C(C(=O)O)C=C1F Z5403 [0,2,0,0,0,0|1,0,0]=3 691 B12R1.48 NC1=CC([N+](=O)[O-])=CC=C1CO W8448 [0,2,0,0,0,0|1,0,1]=4 692 B12R1.48 O=[N+]([O-])C1=CC(O)=C(CO)C=C1 1809AL [0,2,0,0,0,0|1,0,1]=4 693 B12R1.48 O=[N+]([O-])C1=CC=C(CO)C(Cl)=C1 W6712 [0,2,0,0,0,0|1,0,1]=4 694 B12R1.48 OCC1=CC=C(B(O)O)C=C1F Y3638 [0,2,0,0,0,0|1,0,1]=4 695 B12R1.113 CC(=O)C1=CC=C(N=C=O)C=C1 4273AE [0,2,0,0,0,0|1,0,1]=4 696 B12R1.113 CCNC1=CC=C(C(=O)O)C=C1 Y9966 [0,2,0,0,0,0|1,0,0]=3 697 B12R1.113 CCOC1=CC=C(C(N)=O)C=C1 U346 [0,2,0,0,0,0|1,0,0]=3 698 B12R1.113 N#CCC1=CC=C(C(=O)O)C=C1 Y6260 [0,2,0,0,0,0|1,0,0]=3 699 B12R1.113 O=C(O)C1=CC=C(N=C=S)C=C1 7236AD [0,2,0,0,0,0|0,1,0]=3 700 B12R1.113 O=COC1=CC=C([N+](=O)[O-])C=C1 9513AJ [0,2,0,0,0,0|1,0,1]=4 701 B12R1.113 OCCC1=CC=C(B(O)O)C=C1 X0518 [0,2,0,0,0,0|1,0,1]=4 702 B12R1.256 CC(=O)C1=CC=C(C(C)=O)C=C1 B629 [0,2,0,0,0,0|1,0,1]=4 703 B12R1.256 CN(C)C1=CC=C(C(N)=O)C=C1 W7322 [0,2,0,0,0,0|2,0,0]=4 704 B12R1.256 CN(C)C1=NC=C(C(=O)O)C=C1 2805AC [0,2,0,0,0,0|2,0,0]=4 705 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 9179AH [0,2,0,0,0,0|1,0,0]=3 706 B12R1.256 NC(=O)C1=CC=C(C(=O)O)C=C1 Y9594 [0,2,0,0,0,0|0,0,1]=3 707 B12R1.256 O=C(O)C1=CC=C(B(O)O)C=N1 Y4672 [0,2,0,0,0,0|1,0,0]=3 708 B12R1.256 O=C(O)C1=CN=C(C(=O)O)C=N1 3141AH [0,2,0,0,0,0|2,0,0]=4 709 B12R1.256 O=C(O)C1=CN=C([N+](=O)[O-])C=C1 W5494 [0,2,0,0,0,0|1,0,1]=4 710 B12R1.256 O=C([O-])C1=CC=C([N+](=O)[O-])C=C1 6634AL [0,2,0,0,0,0|0,0,2]=4 711 B12R1.452 COC1=CC=C(C(=O)O)C(Cl)=N1 Y9249 [0,2,0,0,0,0|1,0,0]=3 712 B12R1.452 COC1=CC=C(C(=O)[O-])C(O)=C1 7643AA [0,2,0,0,0,0|0,0,1]=3 713 B12R1.452 COC1=CC=C(C(N)=O)C(N)=C1 4987AB [0,2,0,0,0,0|1,0,0]=3 714 B12R1.452 COC1=CC=C(C(N)=O)C(O)=C1 V1237 [0,2,0,0,0,0|1,0,0]=3 715 B12R1.452 COC1=CC=C([N+](=O)[O-])C(Br)=C1 V9911 [0,2,0,0,0,0|1,0,1]=4 716 B12R1.452 N#CC1=CC=C(C(=O)O)C(Cl)=C1 5509AJ [0,2,0,0,0,0|1,0,0]=3 717 B12R1.452 O=C(O)C1=CC=C(CO)C=C1F Y8250 [0,2,0,0,0,0|0,0,0]=2 718 B12R1.452 OCC1=CC=C(B(O)O)C(F)=C1 Z9693 [0,2,0,0,0,0|1,0,1]=4 719 B12R1.9 CC1=CC=C(S(=O)(=O)NO)C=C1 V3581 [0,2,0,0,0,0|2,0,0]=4 720 B12R1.23 CS(=O)(=O)C1=CC=C(O)C(F)=C1 5247AB [0,2,0,0,0,0|1,0,1]=4 721 B12R1.23 CS(=O)(=O)C1=CC=C(O)C(N)=C1 V9906 [0,2,0,0,0,0|1,0,1]=4 722 B12R1.23 NC1=C(O)C=CC(S(=O)(=O)O)=C1 7675AF [0,2,0,0,0,0|1,0,0]=3 723 B12R1.56 CC(=O)C1=CC(C#N)=C(F)C=C1 2869AB [0,2,0,0,0,0|2,0,0]=4 724 B12R1.56 CCC1=CC(C(=O)O)=CC=C1N Z1755 [0,2,0,0,0,0|1,0,0]=3 725 B12R1.56 COC1=C(Br)C=CC(C(C)=O)=C1 X3797 [0,2,0,0,0,0|2,0,0]=4 726 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=N1 X9489 [0,2,0,0,0,0|2,0,0]=4 727 B12R1.56 COC1=C(Cl)N=CC(C(=O)O)=C1 Y4682 [0,2,0,0,0,0|2,0,0]=4 728 B12R1.56 COC1=C(I)C=CC(C(=O)O)=C1 9083AD [0,2,0,0,0,0|1,0,0]=3 729 B12R1.56 COC1=C(O)C=CC(C(=O)[O-])=C1 8979AL [0,2,0,0,0,0|0,0,1]=3 730 B12R1.56 COC1=C(O)C=CC(C(C)O)=C1 1912AB [0,2,0,0,0,0|1,0,1]=4 731 B12R1.56 COC1=CC(B(O)O)=CC=C1O V3926 [0,2,0,0,0,0|1,0,1]=4 732 B12R1.56 COC1=CC(C(=O)O)=CN=C1O Z7814 [0,2,0,0,0,0|1,0,0]=3 733 B12R1.56 COC1=CC(C(C)=O)=CC=C1F W7603 [0,2,0,0,0,0|2,0,0]=4 734 B12R1.56 COC1=NC(C(=O)O)=CC=C1Br 3836AA [0,2,0,0,0,0|2,0,0]=4 735 B12R1.56 N#CC1=CC(C(=O)O)=CC=C1Br Y4565 [0,2,0,0,0,0|1,0,0]=3 736 B12R1.56 N#CC1=CC(C(=O)O)=CC=C1O Y9883 [0,2,0,0,0,0|0,0,0]=2 737 B12R1.56 O=C(O)C1=CC=C(Br)C(CO)=C1 2357AC [0,2,0,0,0,0|1,0,0]=3 738 B12R1.56 O=CC1=C(O)C=CC(B(O)O)=C1 Y2579 [0,2,0,0,0,0|1,0,1]=4 739 B12R1.56 O=CC1=CC(C(=O)O)=CC=C1F W8735 [0,2,0,0,0,0|1,0,0]=3 740 B12R1.56 O=[N+]([O-])C1=CC(CO)=C(O)C=C1 2380AE [0,2,0,0,0,0|1,0,1]=4 741 B12R1.232 CC(=O)C1=C(O)C=C(C)C(Br)=C1 5801AH [0,2,0,0,0,0|2,0,0]=4 742 B12R1.232 CC(=O)C1=CC(C)=C(Cl)C=C1F 9302AA [0,2,0,0,0,0|2,0,0]=4 743 B12R1.232 CC(=O)C1=CC(F)=C(F)C=C1Cl X4554 [0,2,0,0,0,0|2,0,0]=4 744 B12R1.232 CC1=C(Br)C=C(C(=O)O)C(N)=C1 1515AJ [0,2,0,0,0,0|1,0,0]=3 745 B12R1.232 CC1=C(C)N=C(Cl)C(C(=O)O)=C1 Y7227 [0,2,0,0,0,0|2,0,0]=4 746 B12R1.232 CC1=C(F)C=C(Br)C(C(=O)O)=C1 X4311 [0,2,0,0,0,0|1,0,0]=3 747 B12R1.232 CC1=C(F)C=C(C(=O)O)C(Br)=C1 X4313 [0,2,0,0,0,0|1,0,0]=3 748 B12R1.232 CC1=C(F)C=C(F)C(C(=O)O)=C1 W5791 [0,2,0,0,0,0|1,0,0]=3 749 B12R1.232 CC1=CC(F)=C(C(=O)O)C=C1Cl 3182AJ [0,2,0,0,0,0|1,0,0]=3 750 B12R1.232 CC1=CC(F)=C(F)C=C1C(=O)O 9597AA [0,2,0,0,0,0|1,0,0]=3 751 B12R1.232 CC1=CC([N+](=O)[O-])=C(C)C=C1O X8239 [0,2,0,0,0,0|1,0,1]=4 752 B12R1.232 NC(=O)C1=C(Cl)C=C(Cl)C(F)=C1 6380AA [0,2,0,0,0,0|2,0,0]=4 753 B12R1.232 NC(=O)C1=CC(F)=C(F)C=C1F 4609AF [0,2,0,0,0,0|2,0,0]=4 754 B12R1.232 NC1=C(Cl)C=C(F)C(C(=O)O)=C1 V9791 [0,2,0,0,0,0|1,0,0]=3 755 B12R1.232 NC1=C(F)C=C(C(=O)O)C(F)=C1 W8388 [0,2,0,0,0,0|1,0,0]=3 756 B12R1.232 NC1=CC(Br)=C(Br)C=C1C(=O)O W8255 [0,2,0,0,0,0|1,0,0]=3 757 B12R1.232 NC1=CC(Cl)=C(Br)C=C1C(=O)O V6257 [0,2,0,0,0,0|1,0,0]=3 758 B12R1.232 NC1=CC(Cl)=C(F)C=C1C(=O)O Z3871 [0,2,0,0,0,0|1,0,0]=3 759 B12R1.232 NC1=CC(F)=C(Br)C=C1C(=O)O 1979AL [0,2,0,0,0,0|1,0,0]=3 760 B12R1.232 NC1=CC(F)=C(Cl)C=C1C(=O)O 1518AJ [0,2,0,0,0,0|1,0,0]=3 761 B12R1.232 O=C(O)C1=C(F)C=C(Br)C(Cl)=C1 2708AJ [0,2,0,0,0,0|1,0,0]=3 762 B12R1.232 O=C(O)C1=C(O)C=C(O)C(Br)=C1 7831AF [0,2,0,0,0,0|0,0,0]=2 763 B12R1.232 O=C(O)C1=CC(Br)=C(Cl)C=C1O V3173 [0,2,0,0,0,0|1,0,0]=3 764 B12R1.232 O=C(O)C1=CC(Cl)=C(Br)C=C1Cl W9114 [0,2,0,0,0,0|1,0,0]=3 765 B12R1.232 O=C(O)C1=CC(Cl)=C(Cl)C=C1F X2807 [0,2,0,0,0,0|1,0,0]=3 766 B12R1.232 O=C(O)C1=CC(F)=C(Br)C=C1Cl X4309 [0,2,0,0,0,0|1,0,0]=3 767 B12R1.232 O=C(O)C1=NC(Cl)=C(Cl)C=C1Cl W6083 [0,2,0,0,0,0|2,0,0]=4 768 B12R1.232 O=[N+]([O-])C1=C(F)C=C(O)C(F)=C1 1915AL [0,2,0,0,0,0|1,0,1]=4 769 B12R1.367 CC1=CC(C(=O)CBr)=CC=C1Cl W4314 [0,2,0,0,0,0|2,0,0]=4 770 B12R1.367 CC1=CC=C(C(=O)NN)C=C1Cl 8698AE [0,2,0,0,0,0|2,0,0]=4 771 B12R1.367 CCC(=O)C1=CC(Cl)=C(Cl)C=C1 F174 [0,2,0,0,0,0|2,0,0]=4 772 B12R1.367 CCC(=O)C1=CC=C(F)C(F)=C1 N641 [0,2,0,0,0,0|2,0,0]=4 773 B12R1.367 CNC(=O)C1=CC=C(F)C(Br)=C1 V5273 [0,2,0,0,0,0|2,0,0]=4 774 B12R1.367 COC(=O)C1=CC(Br)=C(O)N=C1 Y8935 [0,2,0,0,0,0|1,0,0]=3 775 B12R1.367 COC(=O)C1=CC(C)=C(C)C=C1 4972AB [0,2,0,0,0,0|1,0,0]=3 776 B12R1.367 COC(=O)C1=CC(C)=C(F)N=C1 Z0374 [0,2,0,0,0,0|2,0,0]=4 777 B12R1.367 COC(=O)C1=CC(Cl)=C(Cl)N=C1 Y9471 [0,2,0,0,0,0|2,0,0]=4 778 B12R1.367 COC(=O)C1=CC(I)=C(Cl)N=C1 1702AE [0,2,0,0,0,0|2,0,0]=4 779 B12R1.367 COC(=O)C1=CC(I)=C(N)N=C1 7184AD [0,2,0,0,0,0|2,0,0]=4 780 B12R1.367 COC(=O)C1=CC=C(Br)C(=O)N1 9374AA [0,2,0,0,0,0|2,0,0]=4 781 B12R1.367 COC(=O)C1=CC=C(Br)C(Br)=N1 3877AA [0,2,0,0,0,0|2,0,0]=4 782 B12R1.367 COC(=O)C1=CC=C(Cl)C(Br)=C1 Z7196 [0,2,0,0,0,0|1,0,0]=3 783 B12R1.367 COC(=O)C1=CC=C(Cl)C(F)=C1 W4339 [0,2,0,0,0,0|1,0,0]=3 784 B12R1.367 COC(=O)C1=CC=C(F)C(Br)=C1 V7890 [0,2,0,0,0,0|1,0,0]=3 785 B12R1.367 COC(=O)C1=CC=C(F)C(N)=C1 W5803 [0,2,0,0,0,0|1,0,0]=3 786 B12R1.367 COC(=O)C1=CC=C(F)C(O)=C1 Z0379 [0,2,0,0,0,0|1,0,0]=3 787 B12R1.367 COC(=O)C1=CC=C(I)C(Br)=C1 1936AB [0,2,0,0,0,0|1,0,0]=3 788 B12R1.367 COC(=O)C1=CC=C(I)C(Cl)=C1 X5398 [0,2,0,0,0,0|1,0,0]=3 789 B12R1.367 COC(=O)C1=CC=C(I)C(O)=C1 W3431 [0,2,0,0,0,0|1,0,0]=3 790 B12R1.367 COC(=O)C1=CC=C(N)C(F)=C1 W4014 [0,2,0,0,0,0|1,0,0]=3 791 B12R1.367 COC(=O)C1=CC=C(O)C(I)=C1 W3304 [0,2,0,0,0,0|0,0,0]=2 792 B12R1.367 COC(=O)C1=CN=C(Br)C(F)=C1 3841AA [0,2,0,0,0,0|2,0,0]=4 793 B12R1.367 COC(=O)C1=CNC(=O)C(I)=C1 1872AF [0,2,0,0,0,0|1,0,1]=4 794 B12R1.367 COC(=O)C1=COC(=O)C(Br)=C1 5933AB [0,2,0,0,0,0|1,0,1]=4 795 B12R1.367 COC(=O)C1=NC(C)=C(F)C=C1 4637AA [0,2,0,0,0,0|2,0,0]=4 796 B12R1.367 COC(=O)C1=NC(Cl)=C(Br)C=C1 Z3991 [0,2,0,0,0,0|2,0,0]=4 797 B12R1.367 COC(=O)C1=NC(Cl)=C(C)C=C1 W3889 [0,2,0,0,0,0|2,0,0]=4 798 B12R1.367 COC(=O)C1=NC(N)=C(Br)C=C1 W3895 [0,2,0,0,0,0|2,0,0]=4 799 B12R1.367 C\C(=N\O)C1=CC=C(Cl)C(Cl)=C1 Y9895 [0,2,0,0,0,0|2,0,0]=4 800 B12R1.367 NNC(=O)C1=CC(Cl)=C(Br)C=C1 4587AD [0,2,0,0,0,0|2,0,0]=4 801 B12R1.367 NNC(=O)C1=CC(F)=C(F)C=C1 7829AD [0,2,0,0,0,0|2,0,0]=4 802 B12R1.367 NNC(=O)C1=CC=C(N)C(N)=C1 X6956 [0,2,0,0,0,0|2,0,0]=4 803 B12R1.367 O=C(CBr)C1=CC=C(F)C(Cl)=C1 V7033 [0,2,0,0,0,0|2,0,0]=4 804 B12R1.367 O=C(CCl)C1=CC=C(Cl)C(Cl)=C1 5944AB [0,2,0,0,0,0|2,0,0]=4 805 B12R1.367 O=C(NO)C1=CC(O)=C(O)C=C1 1716AH [0,2,0,0,0,0|0,0,0]=2 806 B12R1.367 O=CC(=O)C1=CC(Cl)=C(Cl)C=C1 W8839 [0,2,0,0,0,0|1,0,1]=4 807 B12R1.367 O=CC(=O)C1=CC(F)=C(F)C=C1 W8512 [0,2,0,0,0,0|1,0,1]=4 808 B12R1.893 CC(=O)C1=C(F)C(Br)=C(F)C=C1 3684AA [0,2,0,0,0,0|2,0,0]=4 809 B12R1.893 CC(=O)C1=CC=C(O)C(C)=C1O H183 [0,2,0,0,0,0|1,0,0]=3 810 B12R1.893 CC1=C(C)C(O)=C(C(=O)O)C=C1 6015AE [0,2,0,0,0,0|1,0,0]=3 811 B12R1.893 CC1=C(Cl)C(C(=O)O)=CC=C1Cl 2854AC [0,2,0,0,0,0|1,0,0]=3 812 B12R1.893 CC1=C(F)C(C(=O)O)=CC=C1F X9035 [0,2,0,0,0,0|1,0,0]=3 813 B12R1.893 NC(=O)C1=CC=C(F)C(F)=C1F 7072AD [0,2,0,0,0,0|2,0,0]=4 814 B12R1.893 NC1=C(C(=O)O)C=CC(Br)=C1F Y1761 [0,2,0,0,0,0|1,0,0]=3 815 B12R1.893 NC1=C(F)C(F)=CC=C1C(=O)O 7958AA [0,2,0,0,0,0|1,0,0]=3 816 B12R1.893 O=C(O)C1=CC=C(Br)C(Cl)=C1F 6567AD [0,2,0,0,0,0|1,0,0]=3 817 B12R1.893 O=C(O)C1=CC=C(Cl)C(Br)=C1Cl V9566 [0,2,0,0,0,0|1,0,0]=3 818 B12R1.893 O=C(O)C1=CC=C(F)C(Cl)=C1Cl W3361 [0,2,0,0,0,0|1,0,0]=3 819 B12R1.893 O=C(O)C1=CC=C(F)C(F)=C1Br Z1778 [0,2,0,0,0,0|1,0,0]=3 820 B12R1.893 O=C(O)C1=CC=C(F)C(F)=C1Cl V3443 [0,2,0,0,0,0|1,0,0]=3 821 B12R1.893 O=C(O)C1=CC=C(F)C(O)=C1F X4333 [0,2,0,0,0,0|1,0,0]=3 822 B12R1.893 OB(O)C1=CC=C(O)C(F)=C1F Y3986 [0,2,0,0,0,0|1,0,1]=4 823 B12R1.1005 CC(=O)C1=CC(Br)=C(O)C(Br)=C1 2302AL [0,2,0,0,0,0|1,0,0]=3 824 B12R1.1005 CC1=C(F)C=C(C(=O)O)C=C1I 3470AC [0,2,0,0,0,0|1,0,0]=3 825 B12R1.1005 NC(=O)C1=CC(F)=C(F)C(F)=C1 9705AE [0,2,0,0,0,0|2,0,0]=4 826 B12R1.1005 NC1=C(Br)C=C(C(=O)O)C=C1Br W6170 [0,2,0,0,0,0|1,0,0]=3 827 B12R1.1005 NC1=C(Cl)C=C(C(=O)O)C=C1Br 1248AF [0,2,0,0,0,0|1,0,0]=3 828 B12R1.1005 NC1=C(F)C=C(C(=O)O)C=C1Br Z3815 [0,2,0,0,0,0|1,0,0]=3 829 B12R1.1005 NC1=C(F)C=C(C(=O)O)C=C1F X6997 [0,2,0,0,0,0|1,0,0]=3 830 B12R1.1005 O=C(O)C1=CC(Cl)=C(Cl)C(Cl)=C1 W6631 [0,2,0,0,0,0|1,0,0]=3 831 B12R1.1005 O=C(O)C1=CC(F)=C(Br)C(F)=C1 9961AB [0,2,0,0,0,0|1,0,0]=3 832 B12R1.1005 OB(O)C1=CC(F)=C(O)C(F)=C1 Y3696 [0,2,0,0,0,0|1,0,1]=4 833 B12R1.16 CCCC(=O)C1=CC=C(Br)C=C1 V6195 [0,2,0,0,0,0|2,0,0]=4 834 B12R1.16 CCCC(=O)C1=CC=C(C)C=C1 5727AB [0,2,0,0,0,0|2,0,0]=4 835 B12R1.16 CCCC(=O)C1=CC=C(Cl)C=C1 V1725 [0,2,0,0,0,0|2,0,0]=4 836 B12R1.16 CCCC(=O)C1=CC=C(N)C=C1 8631AA [0,2,0,0,0,0|2,0,0]=4 837 B12R1.16 CCNC(=O)C1=CC=C(Br)C=C1 V5867 [0,2,0,0,0,0|2,0,0]=4 838 B12R1.16 CCNC(=O)C1=CC=C(F)C=C1 V7708 [0,2,0,0,0,0|2,0,0]=4 839 B12R1.16 CCOC(=O)C1=CC=C(C)N=C1 1026AB [0,2,0,0,0,0|2,0,0]=4 840 B12R1.16 CCOC(=O)C1=CC=C(N)C=N1 3426AA [0,2,0,0,0,0|2,0,0]=4 841 B12R1.16 CCOC(=O)C1=NC=C(Br)C=C1 W8383 [0,2,0,0,0,0|2,0,0]=4 842 B12R1.16 CCOC(=O)C1=NN=C(O)C=C1 W7504 [0,2,0,0,0,0|2,0,0]=4 843 B12R1.16 N#CCC(=O)C1=CC=C(Br)C=C1 V6040 [0,2,0,0,0,0|2,0,0]=4 844 B12R1.1703 CCC(=O)C1=C(O)C=C(Br)C=C1 5935AD [0,2,0,0,0,0|2,0,0]=4 845 B12R1.1703 CCC(=O)C1=C(O)C=C(O)C=C1 Y1973 [0,2,0,0,0,0|1,0,0]=3 846 B12R1.1703 CCC(=O)C1=CC=C(Br)C=C1F V4736 [0,2,0,0,0,0|2,0,0]=4 847 B12R1.1703 CNC(=O)C1=CC=C(F)C=C1Br Y5123 [0,2,0,0,0,0|2,0,0]=4 848 B12R1.1703 COC(=O)C1=C(C)C=C(Cl)C=C1 4274AJ [0,2,0,0,0,0|1,0,0]=3 849 B12R1.1703 COC(=O)C1=C(Cl)C=C(Cl)C=N1 7851AB [0,2,0,0,0,0|2,0,0]=4 850 B12R1.1703 COC(=O)C1=C(Cl)N=C(C)C=C1 7556AB [0,2,0,0,0,0|2,0,0]=4 851 B12R1.1703 COC(=O)C1=C(F)C=C(Br)C=N1 1067AD [0,2,0,0,0,0|2,0,0]=4 852 B12R1.1703 COC(=O)C1=C(N)C=C(Cl)N=C1 4828AA [0,2,0,0,0,0|2,0,0]=4 853 B12R1.1703 COC(=O)C1=CC=C(Br)C=C1Br 7827AB [0,2,0,0,0,0|1,0,0]=3 854 B12R1.1703 COC(=O)C1=CC=C(Br)C=C1Cl Z1776 [0,2,0,0,0,0|1,0,0]=3 855 B12R1.1703 COC(=O)C1=CC=C(Br)C=C1O W4640 [0,2,0,0,0,0|1,0,0]=3 856 B12R1.1703 COC(=O)C1=CC=C(C)C=C1N W4018 [0,2,0,0,0,0|1,0,0]=3 857 B12R1.1703 COC(=O)C1=CC=C(C)N=C1Br Y4513 [0,2,0,0,0,0|2,0,0]=4 858 B12R1.1703 COC(=O)C1=CC=C(Cl)N=C1N 0625AF [0,2,0,0,0,0|2,0,0]=4 859 B12R1.1703 COC(=O)C1=CC=C(F)C=C1C X2849 [0,2,0,0,0,0|1,0,0]=3 860 B12R1.1703 COC(=O)C1=CC=C(F)C=C1O X3093 [0,2,0,0,0,0|1,0,0]=3 861 B12R1.1703 COC(=O)C1=CC=C(F)N=C1F Y3752 [0,2,0,0,0,0|2,0,0]=4 862 B12R1.1703 COC(=O)C1=CC=C(I)C=C1O V3917 [0,2,0,0,0,0|1,0,0]=3 863 B12R1.1703 COC(=O)C1=CC=C(N)C=C1Br V9914 [0,2,0,0,0,0|1,0,0]=3 864 B12R1.1703 COC(=O)C1=CC=C(O)C=C1Cl Z3835 [0,2,0,0,0,0|0,0,0]=2 865 B12R1.1703 COC(=O)C1=CC=C(O)C=C1F X2848 [0,2,0,0,0,0|0,0,0]=2 866 B12R1.1703 COC(=O)C1=CC=C(O)C=C1N 3520AL [0,2,0,0,0,0|0,0,0]=2 867 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1C W4441 [0,2,0,0,0,0|2,0,0]=4 868 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1N Z6925 [0,2,0,0,0,0|2,0,0]=4 869 B12R1.1703 COC(=O)C1=NN=C(O)C=C1O 4746AB [0,2,0,0,0,0|2,0,0]=4 870 B12R1.1703 N=C(NO)C1=CC=C(O)C=C1F Z5246 [0,2,0,0,0,0|1,0,0]=3 871 B12R1.1703 NNC(=O)C1=C(Br)C=C(Cl)C=C1 7625AC [0,2,0,0,0,0|2,0,0]=4 872 B12R1.1703 NNC(=O)C1=C(Cl)C=C(Cl)C=C1 6016AE [0,2,0,0,0,0|2,0,0]=4 873 B12R1.1703 NNC(=O)C1=CC=C(F)C=C1F 0658AD [0,2,0,0,0,0|2,0,0]=4 874 B12R1.1703 NNC(=O)C1=CC=C(N)C=C1O V2125 [0,2,0,0,0,0|2,0,0]=4 875 B12R1.1703 O=C(CBr)C1=CC=C(Cl)C=C1Cl D466 [0,2,0,0,0,0|2,0,0]=4 876 B12R1.1703 O=CC(=O)C1=C(F)C=C(F)C=C1 W8513 [0,2,0,0,0,0|1,0,1]=4 877 B12R1.1703 O\N=C(/Cl)C1=C(Cl)C=C(Cl)C=C1 9265AD [0,2,0,0,0,0|2,0,0]=4 878 B12R1.57 COC1=CC(Br)=CC=C1C(=O)O X2798 [0,2,0,0,0,0|1,0,0]=3 879 B12R1.57 COC1=CC(Br)=CN=C1C(=O)O X2983 [0,2,0,0,0,0|2,0,0]=4 880 B12R1.57 COC1=CC(O)=CC=C1[N+](=O)[O-] W3553 [0,2,0,0,0,0|1,0,1]=4 881 B12R1.57 COC1=NC(Cl)=CC=C1C(=O)O 0043AC [0,2,0,0,0,0|2,0,0]=4 882 B12R1.57 N#CC1=CC(Br)=CC=C1C(=O)O Y1248 [0,2,0,0,0,0|1,0,0]=3 883 B12R1.1000 CC1=C(C(=O)O)C(Br)=CC(F)=C1 X4312 [0,2,0,0,0,0|1,0,0]=3 884 B12R1.1000 CC1=C(C(=O)O)C(F)=CC(Br)=C1 Z1785 [0,2,0,0,0,0|1,0,0]=3 885 B12R1.1000 CC1=CC(Br)=CC(C)=C1C(=O)O W8208 [0,2,0,0,0,0|1,0,0]=3 886 B12R1.1000 CC1=CC(C)=NC(Cl)=C1C(=O)O X5573 [0,2,0,0,0,0|2,0,0]=4 887 B12R1.1000 CC1=CC(Cl)=C(C(=O)O)C(C)=N1 V2465 [0,2,0,0,0,0|2,0,0]=4 888 B12R1.1000 CC1=CC(Cl)=C(C(=O)O)C(Cl)=N1 8184AB [0,2,0,0,0,0|2,0,0]=4 889 B12R1.1000 CC1=CC(F)=C(C(=O)O)C(F)=C1 Z3965 [0,2,0,0,0,0|1,0,0]=3 890 B12R1.1000 CC1=CC(O)=C(C(=O)O)C(C)=C1 5059AH [0,2,0,0,0,0|1,0,0]=3 891 B12R1.1000 CC1=CC(O)=C(C(=O)O)C(O)=C1 6588AB [0,2,0,0,0,0|1,0,0]=3 892 B12R1.1000 NC(=O)C1=C(F)C=C(F)C=C1F 0139AF [0,2,0,0,0,0|2,0,0]=4 893 B12R1.1000 NC1=CC(Br)=CC(Br)=C1C(=O)O Z5150 [0,2,0,0,0,0|1,0,0]=3 894 B12R1.1000 NC1=CC(F)=CC(F)=C1C(=O)O X9675 [0,2,0,0,0,0|1,0,0]=3 895 B12R1.1000 O=C(O)C1=C(Br)C=C(Br)C=C1Br Z0745 [0,2,0,0,0,0|1,0,0]=3 896 B12R1.1000 O=C(O)C1=C(Cl)C=C(Cl)N=C1Cl 0721AC [0,2,0,0,0,0|2,0,0]=4 897 B12R1.1000 O=C(O)C1=C(F)C=C(Cl)C=C1Cl Z1802 [0,2,0,0,0,0|1,0,0]=3 898 B12R1.1000 O=[N+]([O-])C1=C(O)C=C(O)C=C1O 8440AA [0,2,0,0,0,0|1,0,1]=4 899 B12R1.1000 OB(O)C1=C(F)C=C(O)C=C1F Z1187 [0,2,0,0,0,0|1,0,1]=4 900 B10R2.320 BrC1=CC2=CC=CC=C12 K940 [1,0,0,1,0,0|2,0,0]=4 901 B12R2.606 CC1=CC2=C(C=C(O)C=C2)N1 7904AB [0,0,0,1,0,1|2,0,0]=4 902 B12R2.606 CC1=CC2=C(C=C1)CC(=O)N2 W7006 [0,0,0,1,0,1|2,0,0]=4 903 B12R2.606 CC1=CC2=C(C=C1)NC(=O)C2 W5647 [0,0,0,1,0,1|2,0,0]=4 904 B12R2.606 CC1=CC2=C(C=CC(O)=C2)N1 Z4093 [0,0,0,1,0,1|2,0,0]=4 905 B12R2.606 CC1=CC=C2NC(=O)OC2=C1 7799AD [0,0,0,1,0,1|1,0,0]=3 906 B12R2.606 CC1=CC=C2OC(=O)NC2=C1 V4530 [0,0,0,1,0,1|2,0,0]=4 907 B12R2.606 CC1=NC2=C(C=C(Cl)C=C2)O1 9767AB [0,0,0,1,0,1|2,0,0]=4 908 B12R2.606 CC1=NC2=C(C=C(O)C=C2)N1 5686AB [0,0,0,1,0,1|2,0,0]=4 909 B12R2.606 CC1=NC2=C(C=CC(O)=C2)S1 8162AE [0,0,0,1,0,1|2,0,0]=4 910 B12R2.606 CC1=NC2=CC(O)=CC=C2O1 X5142 [0,0,0,1,0,1|2,0,0]=4 911 B12R2.606 CC1=NC2=CC=C(Br)C=C2O1 Z4197 [0,0,0,1,0,1|2,0,0]=4 912 B12R2.606 CC1=NC2=CC=C(N)C=C2O1 Y9498 [0,0,0,1,0,1|2,0,0]=4 913 B12R2.606 FC1=CC2=C(C=C1)NC(=S)O2 Y2874 [0,0,0,1,0,1|1,1,0]=4 914 B12R2.606 FC1=CC=C2N=C(Cl)OC2=C1 W3342 [0,0,0,1,0,1|2,0,0]=4 915 B12R2.606 NC1=CC2=C(C=C1)CC(=O)N2 Z4195 [0,0,0,1,0,1|2,0,0]=4 916 B12R2.606 NC1=CC2=C(C=C1)OC(=O)N2 7323AA [0,0,0,1,0,1|2,0,0]=4 917 B12R2.606 NC1=NC2=CC(O)=CC=C2S1 Y5222 [0,0,0,1,0,1|2,0,0]=4 918 B12R2.606 NC1=NC2=CC=C(Cl)C=C2O1 V6371 [0,0,0,1,0,1|2,0,0]=4 919 B12R2.606 NC1=NC2=CC=C(F)C=C2O1 3455AA [0,0,0,1,0,1|2,0,0]=4 920 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)C1 3183AJ [0,0,0,1,0,1|2,0,0]=4 921 B12R2.606 O=C1CC2=C(C=C(O)C=C2)N1 Y9822 [0,0,0,1,0,1|1,0,0]=3 922 B12R2.606 O=C1CC2=CC(I)=CC=C2N1 3344AH [0,0,0,1,0,1|2,0,0]=4 923 B12R2.606 O=C1CC2=CC(O)=CC=C2O1 X6654 [0,0,0,1,0,1|1,0,0]=3 924 B12R2.606 O=C1NC2=C(C=C(Br)C=C2)O1 0249AB [0,0,0,1,0,1|1,0,0]=3 925 B12R2.606 O=C1NC2=C(C=C(Cl)C=C2)S1 9368AB [0,0,0,1,0,1|1,1,0]=4 926 B12R2.606 O=C1NC2=C(C=C(Cl)C=N2)O1 4439AB [0,0,0,1,0,1|2,0,0]=4 927 B12R2.606 O=C1NC2=CC(Br)=CC=C2S1 Z4373 [0,0,0,1,0,1|2,0,0]=4 928 B12R2.606 O=C1NC2=CC(Cl)=CC=C2S1 U770 [0,0,0,1,0,1|2,0,0]=4 929 B12R2.606 O=C1NC2=CC(F)=CC=C2O1 Z9761 [0,0,0,1,0,1|2,0,0]=4 930 B12R2.606 O=C1NC2=CC=C(Br)C=C2N1 W5984 [0,0,0,1,0,1|2,0,0]=4 931 B12R2.606 O=C1NC2=CC=C(Cl)C=C2N1 Z4388 [0,0,0,1,0,1|2,0,0]=4 932 B12R2.606 O=C1NC2=CC=C(F)C=C2N1 W3366 [0,0,0,1,0,1|2,0,0]=4 933 B12R2.606 O=C1NC2=CC=C(F)C=C2S1 Z4983 [0,0,0,1,0,1|1,1,0]=4 934 B12R2.606 OC1=NC2=CC=C(Cl)C=C2O1 Y8146 [0,0,0,1,0,1|1,0,1]=4 935 B12R2.606 S=C1NC2=C(C=C(Cl)C=C2)O1 1435AB [0,0,0,1,0,1|1,1,0]=4 936 B12R2.612 CC1=CC=C2C(=O)NOC2=C1 Z5011 [0,1,0,1,0,0|1,0,0]=3 937 B12R2.612 CC1=NOC2=C1C=CC(Br)=C2 0136AC [0,1,0,1,0,0|2,0,0]=4 938 B12R2.612 CC1=NOC2=C1C=CC(O)=C2 W7711 [0,1,0,1,0,0|1,0,0]=3 939 B12R2.612 ClC1=CC=C2C(=C1)ON=C2Cl Z4246 [0,1,0,1,0,0|2,0,0]=4 940 B12R2.612 FC1=CC=C2C(=C1)ON=C2Cl W5831 [0,1,0,1,0,0|2,0,0]=4 941 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 W5631 [0,1,0,1,0,0|2,0,0]=4 942 B12R2.612 NC1=CC2=C(C=C1)C(=O)NC2 W4579 [0,1,0,1,0,0|2,0,0]=4 943 B12R2.612 NC1=NOC2=CC(F)=CC=C21 W3884 [0,1,0,1,0,0|2,0,0]=4 944 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 Y5457 [0,1,0,1,0,0|2,0,0]=4 945 B12R2.612 O=C1COC2=CC(Br)=CC=C12 Z4382 [0,1,0,1,0,0|1,0,0]=3 946 B12R2.612 O=C1COC2=CC(Cl)=CC=C12 W5440 [0,1,0,1,0,0|1,0,0]=3 947 B12R2.612 O=C1NCC2=C1C=CC(Cl)=C2 W8219 [0,1,0,1,0,0|2,0,0]=4 948 B12R2.612 O=C1NCC2=C1C=CC(F)=C2 4957AA [0,1,0,1,0,0|2,0,0]=4 949 B12R2.612 O=C1NOC2=C1C=CC(Br)=C2 0076AC [0,1,0,1,0,0|1,0,0]=3 950 B12R2.612 O=C1NOC2=C1C=CC(Cl)=C2 9303AB [0,1,0,1,0,0|1,0,0]=3 951 B12R2.612 O=C1NOC2=CC(F)=CC=C12 Z5429 [0,1,0,1,0,0|1,0,0]=3 952 B12R2.612 O=C1OCC2=C1C=CC(Cl)=C2 2906AL [0,1,0,1,0,0|1,0,0]=3 953 B12R2.612 O=C1OCC2=C1C=CC(F)=C2 V7370 [0,1,0,1,0,0|1,0,0]=3 954 B12R2.612 OC1=NNC2=C1C=CC(Br)=C2 W9111 [0,1,0,1,0,0|2,0,0]=4 955 B8R1.1 CC1=CSC(C=O)=C1 Y9589 [1,0,0,0,1,0|2,0,0]=4 956 B8R1.1 O=CC1=CC(I)=CN1 Y8757 [1,0,0,0,1,0|2,0,0]=4 957 B8R1.1 O=CC1=CC(I)=CS1 9807AA [1,0,0,0,1,0|2,0,0]=4 958 B8R1.1 O=CC1=CC=C(Br)N1 5759AC [1,0,0,0,1,0|2,0,0]=4 959 B8R1.1 O=CC1=CC=C(Cl)O1 9756AL [1,0,0,0,1,0|2,0,0]=4 960 B8R1.1 O=CC1=CC=C(I)O1 F087 [1,0,0,0,1,0|2,0,0]=4 961 B8R1.1 O=CC1=CSC(Br)=C1 9797AA [1,0,0,0,1,0|2,0,0]=4 962 B8R1.1 O=CC1=CSC(Cl)=C1 4568AB [1,0,0,0,1,0|2,0,0]=4 963 B8R1.7 CC(C)=C1C=CC=C1 1050AB [1,0,0,0,1,0|2,0,0]=4 964 B8R1.7 NC(=O)C1=CC=CS1 X6987 [1,0,0,0,1,0|2,0,0]=4 965 B8R1.7 O=C(O)C1=CC=CN1 Q622 [1,0,0,0,1,0|1,0,0]=3 966 B8R1.7 O=C(O)C1=CC=NS1 0659AA [1,0,0,0,1,0|2,0,0]=4 967 B8R1.7 O=C(O)C1=CN=CO1 X4661 [1,0,0,0,1,0|2,0,0]=4 968 B8R1.7 O=C(O)C1=CSN=C1 Z5157 [1,0,0,0,1,0|2,0,0]=4 969 B8R1.7 O=C([O-])C1=CC=CS1 Z2610 [1,0,0,0,1,0|1,0,1]=4 970 B10R1.18 CC(=O)CC1=CC=NC=C1 4765AJ [1,0,0,0,0,1|2,0,0]=4 971 B10R1.18 CC(=O)CC1=NC=CC=C1 W7508 [1,0,0,0,0,1|2,0,0]=4 972 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 4736AL [1,0,0,0,0,1|2,0,0]=4 973 B10R1.18 CC(=O)NC1=CC=NC=C1 7350AB [1,0,0,0,0,1|2,0,0]=4 974 B10R1.18 CC(=O)NC1=CN=CC=C1 6108AE [1,0,0,0,0,1|2,0,0]=4 975 B10R1.18 CC(=O)NC1=NC=CC=C1 Y5038 [1,0,0,0,0,1|2,0,0]=4 976 B10R1.18 CC(=O)SC1=CC=CC=C1 9002AL [1,0,0,0,0,1|1,0,0]=3 977 B10R1.18 NC(=O)CC1=CC=CN=C1 4754AB [1,0,0,0,0,1|2,0,0]=4 978 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 4299AL [1,0,0,0,0,1|2,0,0]=4 979 B10R1.18 NC(=O)OC1=CC=CC=C1 7861AF [1,0,0,0,0,1|1,0,0]=3 980 B12R1.21 CC(=O)CSC1=CC=C(C)C=C1 0827AD [0,0,0,0,0,2|2,0,0]=4 981 B12R1.21 CC(=O)OCC1=CC=C(C)C=C1 5686AF [0,0,0,0,0,2|2,0,0]=4 982 B12R1.21 CC(=O)\C=C\C1=CC=C(Br)C=C1 2061AE [0,0,0,0,0,2|2,0,0]=4 983 B12R1.21 CC(=O)\C=C\C1=CC=C(Cl)C=C1 5603AH [0,0,0,0,0,2|2,0,0]=4 984 B12R1.21 NC1=CC=C(CCC(=O)O)C=N1 W6341 [0,0,0,0,0,2|2,0,0]=4 985 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=C1 X5220 [0,0,0,0,0,2|1,0,0]=3 986 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=N1 W3656 [0,0,0,0,0,2|2,0,0]=4 987 B12R1.21 O=C(O)CNC1=CC=C(Cl)C=C1 1940AL [0,0,0,0,0,2|1,0,0]=3 988 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 4354AB [0,0,0,0,0,2|1,0,0]=3 989 B12R1.21 O=C(O)CSC1=CC=C(Br)C=C1 V5299 [0,0,0,0,0,2|1,0,0]=3 990 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 Y8748 [0,0,0,0,0,2|1,0,0]=3 991 B12R1.21 O=C(O)\C=C\C1=CN=C(Br)C=C1 0838AA [0,0,0,0,0,2|2,0,0]=4