0 B9R1.1 C#CC1=CC=C(C=C1)F 10155 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.1 C1=CC(=CC=C1C#N)Br 10589 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.1 C1=CC(=CC=C1C#N)Cl 5712 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.1 C1=CC(=CC=C1C#N)F 10581 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.1 C1=CC(=CC=C1C#N)F 6090 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.1 C1=CC(=CC=C1C#N)N 5665 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.1 C1=CC(=CC=C1C=O)F 6034 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.1 C1=CC(=CC=C1C=O)I 5018 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.1 C1=CC(=CC=C1C=O)O 5740 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.1 C1=CC(=CC=C1CBr)Br 10348 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.1 C1=CC(=CC=C1CCl)Cl 6806 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.1 C1=CC(=CC=C1CN)Br 8072 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.1 C1=CC(=CC=C1CN)F 5139 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.1 C1=CC(=CC=C1CN)O 8602 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.1 C1=CC(=CC=C1CS)Cl 6134 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.1 C1=CC(=CC=C1NN)Br 5240 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.1 C1=CC(=CC=C1NN)Cl 10440 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.1 C1=CC(=CC=C1NN)F 5594 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.1 C1=CC(=NC=C1Br)C=O 5008 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.1 C1=CC(=NC=C1Br)CO 8417 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.1 C1=CC(=NC=C1C#N)Cl 9222 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.1 C1=CC(=NC=C1C#N)F 8692 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.1 C1=CC(=NC=C1C#N)N 9207 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.1 C1=CC(=NC=C1C=O)Cl 5230 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.1 C1=CC(=NC=C1CCl)Cl 5674 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.1 C1=CC(=NC=C1Cl)NN 8116 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.1 C=CC1=CC=C(C=C1)N 6013 [0,0,0,0,0,0|2,0,1]=3 27 B9R1.1 CC1=CC=C(C=C1)C#N 6644 [0,0,0,0,0,0|2,0,0]=2 28 B9R1.1 CC1=CC=C(C=C1)CBr 9734 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.1 CC1=CC=C(C=C1)CN 9612 [0,0,0,0,0,0|2,0,0]=2 30 B9R1.1 CC1=CN=C(C=C1)C#N 6614 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.1 COC1=CC=C(C=C1)Br 6813 [0,0,0,0,0,0|1,0,0]=1 32 B9R1.1 COC1=CC=C(C=C1)F 5383 [0,0,0,0,0,0|1,0,0]=1 33 B9R1.1 COC1=CC=C(C=C1)N 8631 [0,0,0,0,0,0|1,0,0]=1 34 B9R1.1 COC1=CC=C(C=C1)S 8726 [0,0,0,0,0,0|1,0,0]=1 35 B9R1.1 COC1=NC=C(C=C1)Br 9358 [0,0,0,0,0,0|2,0,0]=2 36 B9R1.1 COC1=NC=C(C=C1)Br 9555 [0,0,0,0,0,0|2,0,0]=2 37 B9R1.1 COC1=NC=C(C=C1)Cl 9538 [0,0,0,0,0,0|2,0,0]=2 38 B9R1.1 COC1=NC=C(C=C1)N 9999 [0,0,0,0,0,0|2,0,0]=2 39 B9R1.1 CSC1=CC=C(C=C1)F 9086 [0,0,0,0,0,0|1,1,0]=2 40 B8R1.2 C1=CC(=CN=C1)CCl 5990 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.2 C1=CC(=CN=C1)CN 10146 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.2 C1=CC(=CN=C1)CO 8600 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.2 C1=CC=C(C=C1)NN 6820 [1,0,0,0,0,0|2,0,0]=3 44 B8R1.2 C1=CC=NC(=C1)CCl 10463 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.2 C1=CC=NC(=C1)CN 5496 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.2 C1=CN=CC=C1CCl 8451 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.2 COC1=CC=CC=N1 9619 [1,0,0,0,0,0|1,0,0]=2 48 B8R1.2 COC1=CC=NC=C1 10117 [1,0,0,0,0,0|1,0,0]=2 49 B8R1.2 c1ccnc(c1)C=O P0092 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.2 c1cnccc1C=O P0128 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.2 c1cnccc1C=O P0128 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.3 C1=CC(=CC=C1F)Br 6014 [1,0,0,0,0,0|2,0,0]=3 53 B8R1.3 C1=CC(=CC=C1F)Cl 9763 [1,0,0,0,0,0|2,0,0]=3 54 B8R1.3 C1=CC(=CC=C1F)F 10591 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.3 C1=CC(=CC=C1N)Cl 6700 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.3 C1=CC(=CC=C1N)F 5032 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.3 C1=CC(=CC=C1N)I 8418 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.3 C1=CC(=NC=C1Br)Br 5443 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.3 C1=CC(=NC=C1Br)Cl 9228 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.3 C1=CC(=NC=C1Br)I 9334 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.3 C1=CC(=NC=C1Br)N 10514 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.3 C1=CC(=NC=C1Cl)Br 6467 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.3 C1=CC(=NC=C1Cl)N 8218 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.3 C1=CC(=NC=C1F)Br 10006 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.3 C1=CC(=NC=C1F)Br 6615 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.3 C1=CC(=NC=C1F)Cl 9957 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.3 C1=CC(=NC=C1F)F 5247 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.3 C1=CC(=NC=C1F)N 10320 [1,0,0,0,0,0|3,0,0]=4 69 B8R1.3 C1=CC(=NC=C1I)Br 9940 [1,0,0,0,0,0|3,0,0]=4 70 B8R1.3 C1=CC(=NC=C1I)Cl 5225 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.3 C1=CC(=NC=C1I)N 5110 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.3 C1=CC(=NC=C1O)Br 10436 [1,0,0,0,0,0|2,0,0]=3 73 B8R1.3 C1=CC(=NC=C1O)Cl 9958 [1,0,0,0,0,0|2,0,0]=3 74 B8R1.3 C1=CC(=O)NC=C1Br 8266 [1,0,0,0,0,0|2,0,1]=4 75 B8R1.3 C1=CC(=O)NC=C1Cl 10450 [1,0,0,0,0,0|2,0,1]=4 76 B8R1.3 C1=CC(=O)NC=C1F 8617 [1,0,0,0,0,0|2,0,1]=4 77 B8R1.3 CC1=CN=C(C=C1)Br 9393 [1,0,0,0,0,0|2,0,0]=3 78 B8R1.3 CC1=CN=C(C=C1)F 5449 [1,0,0,0,0,0|2,0,0]=3 79 B8R1.3 CC1=CNC(=O)C=C1 9951 [1,0,0,0,0,0|1,0,1]=3 80 B8R1.3 CC1=NC=C(C=C1)Br 5076 [1,0,0,0,0,0|2,0,0]=3 81 B8R1.3 CC1=NC=C(C=C1)N 10240 [1,0,0,0,0,0|2,0,0]=3 82 B8R1.3 c1cc(ccc1F)Br B0238 [1,0,0,0,0,0|2,0,0]=3 83 B8R1.3 c1cc(ccc1N)F F0045 [1,0,0,0,0,0|2,0,0]=3 84 B10R1.1 C1=CC(=CC=C1CC#N)Cl 6796 [0,1,0,0,0,0|2,0,1]=4 85 B10R1.1 C1=CC(=CC=C1CC#N)F 10336 [0,1,0,0,0,0|2,0,1]=4 86 B10R1.1 C1=CC(=CC=C1CCCl)F 6441 [0,1,0,0,0,0|2,0,0]=3 87 B10R1.1 C1=CC(=CC=C1CCN)Br 8160 [0,1,0,0,0,0|2,0,0]=3 88 B10R1.1 C1=CC(=CC=C1CCN)Cl 6418 [0,1,0,0,0,0|2,0,0]=3 89 B10R1.1 C1=CC(=CC=C1CCN)F 10276 [0,1,0,0,0,0|2,0,0]=3 90 B10R1.1 C1=CC(=CC=C1CCO)F 9475 [0,1,0,0,0,0|2,0,0]=3 91 B10R1.1 C1=CC(=CC=C1CCO)O 8495 [0,1,0,0,0,0|2,0,0]=3 92 B10R1.1 CC1=CC=C(C=C1)CCN 6556 [0,1,0,0,0,0|1,0,0]=2 93 B10R1.3 C1=CC(=CC=C1C=O)C#N 5691 [0,1,0,0,0,0|2,0,1]=4 94 B10R1.3 C1=CC(=CC=C1C=O)C#N 5751 [0,1,0,0,0,0|2,0,1]=4 95 B10R1.3 C1=CC(=CC=C1CN)C#N C0297 [0,1,0,0,0,0|2,0,0]=3 96 B10R1.3 CCC1=CC=C(C=C1)C#C 10015 [0,1,0,0,0,0|1,0,1]=3 97 B10R1.3 COC1=CC=C(C=C1)C#C 9950 [0,1,0,0,0,0|0,0,1]=2 98 B10R1.3 COC1=CC=C(C=C1)C=O 8125 [0,1,0,0,0,0|0,0,1]=2 99 B10R1.3 COC1=CC=C(C=C1)CN 8511 [0,1,0,0,0,0|0,0,0]=1 100 B10R1.3 COC1=NC=C(C=C1)C#N 10024 [0,1,0,0,0,0|1,0,1]=3 101 B10R1.3 COC1=NC=C(C=C1)C=O 5473 [0,1,0,0,0,0|1,0,1]=3 102 B10R1.3 c1cc(ccc1C=O)C#N F0081 [0,1,0,0,0,0|2,0,1]=4 103 B10R1.13 B(C1=CC=C(C=C1)Br)(O)O 5360 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.13 B(C1=CC=C(C=C1)C)(O)O 5425 [0,1,0,0,0,0|2,0,0]=3 105 B10R1.13 B(C1=CC=C(C=C1)C)(O)O 9510 [0,1,0,0,0,0|2,0,0]=3 106 B10R1.13 B(C1=CC=C(C=C1)F)(O)O 6296 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.13 B(C1=CC=C(C=C1)O)(O)O 6782 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl 8212 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F 9898 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.13 C1=CC(=CC=C1C(=O)O)Cl 6827 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.13 C1=CC(=CC=C1C(=O)O)F 5362 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.13 C1=CC(=CC=C1C(=O)O)F 8250 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.13 C1=CC(=CC=C1C(=S)N)Cl 10635 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.13 C1=CC(=CC=C1C(F)F)Br 6597 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.13 C1=CC(=CC=C1C(F)F)F 10624 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])Br 10151 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])F 6117 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])[O-] 10257 [0,1,0,0,0,0|3,0,0]=4 119 B10R1.13 CC(=O)C1=CC=C(C=C1)I 9277 [0,1,0,0,0,0|2,0,0]=3 120 B10R1.13 CC(=O)C1=CC=C(C=C1)O 8298 [0,1,0,0,0,0|2,0,0]=3 121 B10R1.13 CC(=O)C1=CN=C(C=C1)Cl 9976 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.13 CC(C1=CC=C(C=C1)F)O 6019 [0,1,0,0,0,0|2,0,0]=3 123 B10R1.13 CC1=CC=C(C=C1)C(=O)O 9874 [0,1,0,0,0,0|2,0,0]=3 124 B10R1.13 CN(C)C1=CC=C(C=C1)F 10045 [0,1,0,0,0,0|2,0,0]=3 125 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] N0068 [0,1,0,0,0,0|2,0,0]=3 126 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] N0068 [0,1,0,0,0,0|2,0,0]=3 127 B10R1.13 c1cc(ccc1[N+](=O)[O-])O N0023 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.25 C1=CC(=C(C=C1Br)Cl)C#N 8523 [0,1,0,0,0,0|3,0,0]=4 129 B10R1.25 C1=CC(=C(C=C1Br)F)C#N 5335 [0,1,0,0,0,0|3,0,0]=4 130 B10R1.25 C1=CC(=C(C=C1Br)F)CBr 6181 [0,1,0,0,0,0|3,0,0]=4 131 B10R1.25 C1=CC(=C(C=C1Br)F)CN 8039 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.25 C1=CC(=C(C=C1Br)N)C#N 10495 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.25 C1=CC(=C(C=C1Br)O)C#N 8623 [0,1,0,0,0,0|3,0,0]=4 134 B10R1.25 C1=CC(=C(C=C1Cl)Br)C#N 9719 [0,1,0,0,0,0|3,0,0]=4 135 B10R1.25 C1=CC(=C(C=C1Cl)Cl)NN 9013 [0,1,0,0,0,0|3,0,0]=4 136 B10R1.25 C1=CC(=C(C=C1Cl)F)CBr 5211 [0,1,0,0,0,0|3,0,0]=4 137 B10R1.25 C1=CC(=C(C=C1Cl)F)CO 9790 [0,1,0,0,0,0|3,0,0]=4 138 B10R1.25 C1=CC(=C(C=C1Cl)F)NN 5309 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.25 C1=CC(=C(C=C1F)Br)C=O 5308 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.25 C1=CC(=C(C=C1F)Cl)C#N 8906 [0,1,0,0,0,0|3,0,0]=4 141 B10R1.25 C1=CC(=C(C=C1F)Cl)C#N 9254 [0,1,0,0,0,0|3,0,0]=4 142 B10R1.25 C1=CC(=C(C=C1F)Cl)CN 6194 [0,1,0,0,0,0|3,0,0]=4 143 B10R1.25 C1=CC(=C(C=C1F)F)C#N 5162 [0,1,0,0,0,0|3,0,0]=4 144 B10R1.25 C1=CC(=C(C=C1F)F)C=O 8215 [0,1,0,0,0,0|3,0,0]=4 145 B10R1.25 C1=CC(=C(C=C1F)F)CBr 10356 [0,1,0,0,0,0|3,0,0]=4 146 B10R1.25 C1=CC(=C(C=C1F)F)CCl 10529 [0,1,0,0,0,0|3,0,0]=4 147 B10R1.25 C1=CC(=C(C=C1F)F)CN 5064 [0,1,0,0,0,0|3,0,0]=4 148 B10R1.25 C1=CC(=C(C=C1F)F)CO 5619 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.25 C1=CC(=C(C=C1F)F)NN 5631 [0,1,0,0,0,0|3,0,0]=4 150 B10R1.25 C1=CC(=C(C=C1N)Br)C#N 10552 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.25 C1=CC(=C(C=C1N)Cl)C#N 5725 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.25 C1=CC(=C(C=C1N)F)C#N 8878 [0,1,0,0,0,0|3,0,0]=4 153 B10R1.25 C1=CC(=C(C=C1O)F)C#N 5126 [0,1,0,0,0,0|3,0,0]=4 154 B10R1.25 C1=CC(=C(C=C1O)O)C=O 10275 [0,1,0,0,0,0|3,0,0]=4 155 B10R1.25 CC1=C(C=CC(=C1)Br)C#N 9732 [0,1,0,0,0,0|3,0,0]=4 156 B10R1.25 CC1=C(C=CC(=C1)Br)C=O 9443 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.25 CC1=C(C=CC(=C1)F)C#N 8797 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.25 CC1=CC(=C(C=C1)C#N)F 6654 [0,1,0,0,0,0|2,0,0]=3 159 B10R1.25 CC1=CC(=C(C=C1)OC)I 6862 [0,1,0,0,0,0|0,0,0]=1 160 B10R1.25 COC1=C(C=C(C=C1)Br)O 6683 [0,1,0,0,0,0|1,0,0]=2 161 B10R1.25 COC1=C(C=C(C=C1)Cl)Br 6521 [0,1,0,0,0,0|1,0,0]=2 162 B10R1.25 COC1=C(C=C(C=C1)Cl)I 6532 [0,1,0,0,0,0|1,0,0]=2 163 B10R1.25 COC1=C(C=C(C=C1)F)Br 6127 [0,1,0,0,0,0|1,0,0]=2 164 B10R1.25 COC1=C(C=C(C=C1)F)Cl 9547 [0,1,0,0,0,0|1,0,0]=2 165 B10R1.25 COC1=C(C=C(C=C1)F)F 5613 [0,1,0,0,0,0|1,0,0]=2 166 B10R1.25 COC1=C(C=C(C=C1)F)O 6489 [0,1,0,0,0,0|1,0,0]=2 167 B10R1.25 COC1=C(C=C(C=C1)N)Br 9331 [0,1,0,0,0,0|1,0,0]=2 168 B10R1.25 COC1=C(C=C(C=C1)N)F 5654 [0,1,0,0,0,0|1,0,0]=2 169 B10R1.25 COC1=C(C=C(C=C1)N)I 10230 [0,1,0,0,0,0|1,0,0]=2 170 B10R1.25 COC1=C(C=C(C=N1)Br)Br 9537 [0,1,0,0,0,0|2,0,0]=3 171 B10R1.25 COC1=C(C=C(C=N1)Cl)Br 6646 [0,1,0,0,0,0|2,0,0]=3 172 B10R1.25 COC1=NC=C(C=C1N)Br 9588 [0,1,0,0,0,0|2,0,0]=3 173 B10R1.25 Cc1cc(ccc1CN)F F0029 [0,1,0,0,0,0|3,0,0]=4 174 B10R1.25 c1cc(c(cc1F)F)C=O D0156 [0,1,0,0,0,0|3,0,0]=4 175 B10R1.176 C1=CC(=C(C=C1C#N)Br)Cl 6640 [0,1,0,0,0,0|3,0,0]=4 176 B10R1.176 C1=CC(=C(C=C1C#N)Cl)Br 6661 [0,1,0,0,0,0|3,0,0]=4 177 B10R1.176 C1=CC(=C(C=C1C#N)Cl)F 6192 [0,1,0,0,0,0|3,0,0]=4 178 B10R1.176 C1=CC(=C(C=C1C#N)Cl)N 6638 [0,1,0,0,0,0|3,0,0]=4 179 B10R1.176 C1=CC(=C(C=C1C#N)F)Cl 6471 [0,1,0,0,0,0|3,0,0]=4 180 B10R1.176 C1=CC(=C(C=C1C#N)F)F 6081 [0,1,0,0,0,0|3,0,0]=4 181 B10R1.176 C1=CC(=C(C=C1C#N)F)I 9562 [0,1,0,0,0,0|3,0,0]=4 182 B10R1.176 C1=CC(=C(C=C1C#N)F)N 5472 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.176 C1=CC(=C(C=C1C#N)I)N 5523 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.176 C1=CC(=C(C=C1C#N)N)Cl 8642 [0,1,0,0,0,0|3,0,0]=4 185 B10R1.176 C1=CC(=C(C=C1C#N)N)F 10652 [0,1,0,0,0,0|3,0,0]=4 186 B10R1.176 C1=CC(=C(C=C1C=O)Br)F 5548 [0,1,0,0,0,0|3,0,0]=4 187 B10R1.176 C1=CC(=C(C=C1C=O)Cl)Br 9404 [0,1,0,0,0,0|3,0,0]=4 188 B10R1.176 C1=CC(=C(C=C1C=O)Cl)F 8322 [0,1,0,0,0,0|3,0,0]=4 189 B10R1.176 C1=CC(=C(C=C1C=O)F)Br 9383 [0,1,0,0,0,0|3,0,0]=4 190 B10R1.176 C1=CC(=C(C=C1C=O)F)F 5614 [0,1,0,0,0,0|3,0,0]=4 191 B10R1.176 C1=CC(=C(C=C1C=O)F)O 9932 [0,1,0,0,0,0|3,0,0]=4 192 B10R1.176 C1=CC(=C(C=C1C=O)O)O 6767 [0,1,0,0,0,0|3,0,0]=4 193 B10R1.176 C1=CC(=C(C=C1CBr)Cl)Cl 6739 [0,1,0,0,0,0|3,0,0]=4 194 B10R1.176 C1=CC(=C(C=C1CBr)F)Cl 6576 [0,1,0,0,0,0|3,0,0]=4 195 B10R1.176 C1=CC(=C(C=C1CCl)F)F 5398 [0,1,0,0,0,0|3,0,0]=4 196 B10R1.176 C1=CC(=C(C=C1CN)Cl)F 8697 [0,1,0,0,0,0|3,0,0]=4 197 B10R1.176 C1=CC(=C(C=C1CO)Br)O 9541 [0,1,0,0,0,0|3,0,0]=4 198 B10R1.176 C1=CC(=C(C=C1CO)Cl)F 5350 [0,1,0,0,0,0|3,0,0]=4 199 B10R1.176 C1=CC(=C(C=C1CO)F)Cl 6586 [0,1,0,0,0,0|3,0,0]=4 200 B10R1.176 C1=CC(=C(C=C1CO)F)F 5618 [0,1,0,0,0,0|3,0,0]=4 201 B10R1.176 CC1=C(C=C(C=C1)C#N)Br 6755 [0,1,0,0,0,0|2,0,0]=3 202 B10R1.176 CC1=C(C=C(C=C1)C#N)F 9664 [0,1,0,0,0,0|2,0,0]=3 203 B10R1.176 CC1=C(C=C(C=C1)C#N)N 8423 [0,1,0,0,0,0|2,0,0]=3 204 B10R1.176 CC1=C(C=C(C=C1)C=O)F 6278 [0,1,0,0,0,0|2,0,0]=3 205 B10R1.176 CC1=C(C=C(C=C1)C=O)F 6279 [0,1,0,0,0,0|2,0,0]=3 206 B10R1.176 CC1=C(C=C(C=C1)CBr)F 8915 [0,1,0,0,0,0|2,0,0]=3 207 B10R1.176 CC1=C(C=C(C=C1)CN)C 6547 [0,1,0,0,0,0|2,0,0]=3 208 B10R1.176 CC1=C(C=C(C=C1)CN)F 8324 [0,1,0,0,0,0|2,0,0]=3 209 B10R1.176 CC1=C(C=C(C=C1)CO)F 8904 [0,1,0,0,0,0|2,0,0]=3 210 B10R1.176 CC1=C(C=C(C=C1)OC)Cl 8676 [0,1,0,0,0,0|0,0,0]=1 211 B10R1.176 CC1=C(C=CC(=C1)C#N)F 6655 [0,1,0,0,0,0|3,0,0]=4 212 B10R1.176 CC1=C(C=CC(=C1)CBr)F 9893 [0,1,0,0,0,0|3,0,0]=4 213 B10R1.176 CC1=C(C=CC(=C1)CN)F 8722 [0,1,0,0,0,0|3,0,0]=4 214 B10R1.176 CC1=C(C=CC(=N1)OC)Br 5248 [0,1,0,0,0,0|2,0,0]=3 215 B10R1.176 CC1=CC(=NC=C1N)OC 5687 [0,1,0,0,0,0|2,0,0]=3 216 B10R1.176 COC1=CC(=C(C=C1)Br)F 5203 [0,1,0,0,0,0|1,0,0]=2 217 B10R1.176 COC1=CC(=C(C=C1)Cl)Br 8084 [0,1,0,0,0,0|1,0,0]=2 218 B10R1.176 COC1=CC(=C(C=C1)F)F 5159 [0,1,0,0,0,0|1,0,0]=2 219 B10R1.176 COC1=CC(=C(C=C1)O)Br 8831 [0,1,0,0,0,0|1,0,0]=2 220 B10R1.176 c1cc(c(cc1CN)F)Cl C0229 [0,1,0,0,0,0|3,0,0]=4 221 B7R1.3 C1=CC(=CN=C1)N 9511 [2,0,0,0,0,0|2,0,0]=4 222 B7R1.3 C1=CC(=CN=C1)O 6695 [2,0,0,0,0,0|1,0,0]=3 223 B7R1.3 C1=CC(=CN=C1)O 6696 [2,0,0,0,0,0|1,0,0]=3 224 B7R1.3 C1=CC=C(C=C1)F 5387 [2,0,0,0,0,0|1,0,0]=3 225 B7R1.3 C1=CC=C(C=C1)O 5847 [2,0,0,0,0,0|0,0,0]=2 226 B7R1.3 C1=CC=NC(=C1)Br 6647 [2,0,0,0,0,0|2,0,0]=4 227 B7R1.3 C1=CC=[N+](C=C1)[O-] 9065 [2,0,0,0,0,0|1,0,1]=4 228 B7R1.3 CC1=CN=CC=C1 8633 [2,0,0,0,0,0|1,0,0]=3 229 B7R1.3 c1ccc(cc1)F B0042 [2,0,0,0,0,0|1,0,0]=3 230 B7R1.3 c1ccnc(c1)Br B0025 [2,0,0,0,0,0|2,0,0]=4 231 B9R1.2 C1=CC(=CC(=C1)Br)C=O 8210 [1,1,0,0,0,0|2,0,0]=4 232 B9R1.2 C1=CC(=CC(=C1)Br)CN 9996 [1,1,0,0,0,0|2,0,0]=4 233 B9R1.2 C1=CC(=CC(=C1)Br)NN 10008 [1,1,0,0,0,0|2,0,0]=4 234 B9R1.2 C1=CC(=CC(=C1)Cl)NN 9850 [1,1,0,0,0,0|2,0,0]=4 235 B9R1.2 C1=CC(=CC(=C1)F)C#N 8577 [1,1,0,0,0,0|2,0,0]=4 236 B9R1.2 C1=CC(=CC(=C1)F)C=O 9272 [1,1,0,0,0,0|2,0,0]=4 237 B9R1.2 C1=CC(=CC(=C1)F)CO 6086 [1,1,0,0,0,0|2,0,0]=4 238 B9R1.2 C1=CC(=CC(=C1)F)NN 5986 [1,1,0,0,0,0|2,0,0]=4 239 B9R1.2 C1=CC(=CC(=C1)I)C#N 9764 [1,1,0,0,0,0|2,0,0]=4 240 B9R1.2 C1=CC(=CC(=C1)I)C=O 9442 [1,1,0,0,0,0|2,0,0]=4 241 B9R1.2 C1=CC(=CC(=C1)N)C#N 6460 [1,1,0,0,0,0|2,0,0]=4 242 B9R1.2 CC1=CC(=CC=C1)CBr 8441 [1,1,0,0,0,0|2,0,0]=4 243 B9R1.2 CC1=CC=CC(=C1)C=O 8187 [1,1,0,0,0,0|2,0,0]=4 244 B9R1.2 COC1=CC(=CC=C1)F 5384 [1,1,0,0,0,0|0,0,0]=2 245 B9R1.2 COC1=CC(=CC=C1)S 5358 [1,1,0,0,0,0|0,0,0]=2 246 B9R1.2 COC1=CC(=CN=C1)Br 10627 [1,1,0,0,0,0|1,0,0]=3 247 B9R1.2 COC1=CC(=CN=C1)Br 5648 [1,1,0,0,0,0|1,0,0]=3 248 B9R1.2 COC1=CC=CC(=C1)N 9172 [1,1,0,0,0,0|0,0,0]=2 249 B9R1.2 COC1=NC(=CC=C1)Br 6692 [1,1,0,0,0,0|1,0,0]=3 250 B9R1.2 COC1=NC(=CC=C1)Cl 8886 [1,1,0,0,0,0|1,0,0]=3 251 B9R1.2 COC1=NC(=NC=C1)Cl 8785 [1,1,0,0,0,0|2,0,0]=4 252 B9R1.2 COc1cccc(c1)Br B0420 [1,1,0,0,0,0|0,0,0]=2 253 B9R1.2 COc1cccc(c1)Cl C0028 [1,1,0,0,0,0|0,0,0]=2 254 B9R1.2 CSC1=CC(=CC=C1)Cl 5596 [1,1,0,0,0,0|0,1,0]=3 255 B9R1.2 CSC1=CC=CC(=C1)F 9504 [1,1,0,0,0,0|0,1,0]=3 256 B9R1.2 CSC1=CC=CC(=C1)N 6516 [1,1,0,0,0,0|0,1,0]=3 257 B9R1.6 C1=CC=C(C=C1)C(=O)O 9205 [1,1,0,0,0,0|2,0,0]=4 258 B9R1.6 C1=CC=C(C=C1)C(=S)N 5715 [1,1,0,0,0,0|2,0,0]=4 259 B9R1.6 C1=CC=C(C=C1)P(=O)O 5787 [1,1,0,0,0,0|2,0,0]=4 260 B9R1.6 C1=CC=C(C=C1)S(=O)O 5284 [1,1,0,0,0,0|1,1,0]=4 261 B9R1.6 CC(C1=CC=NC=C1)O 9776 [1,1,0,0,0,0|2,0,0]=4 262 B9R1.6 CN(C)C1=CC=NC=C1 5603 [1,1,0,0,0,0|2,0,0]=4 263 B9R1.6 CN(C)c1ccncc1 D0718 [1,1,0,0,0,0|2,0,0]=4 264 B9R1.8 C1=CC=C(C=C1)CCBr 10001 [1,1,0,0,0,0|1,0,0]=3 265 B9R1.8 C1=CC=C(C=C1)CCBr 6001 [1,1,0,0,0,0|1,0,0]=3 266 B9R1.8 C1=CC=C(C=C1)CON 10183 [1,1,0,0,0,0|1,0,0]=3 267 B9R1.8 C1=CC=C(C=C1)[Se]C#N 6236 [1,1,0,0,0,0|0,1,1]=4 268 B9R1.8 C1=CC=NC(=C1)CCN 5251 [1,1,0,0,0,0|2,0,0]=4 269 B9R1.8 C1=CC=NC(=C1)CCO 9142 [1,1,0,0,0,0|2,0,0]=4 270 B9R1.8 CCCC1=CC=NC=C1 8669 [1,1,0,0,0,0|2,0,0]=4 271 B9R1.8 c1cnccc1CCN A0195 [1,1,0,0,0,0|2,0,0]=4 272 B9R1.8 c1cnccc1CCN P0148 [1,1,0,0,0,0|2,0,0]=4 273 B9R1.15 C1=CC=C(C(=C1)C#N)Br 5156 [1,1,0,0,0,0|2,0,0]=4 274 B9R1.15 C1=CC=C(C(=C1)C#N)F 9273 [1,1,0,0,0,0|2,0,0]=4 275 B9R1.15 C1=CC=C(C(=C1)C#N)F 9465 [1,1,0,0,0,0|2,0,0]=4 276 B9R1.15 C1=CC=C(C(=C1)C#N)I 5184 [1,1,0,0,0,0|2,0,0]=4 277 B9R1.15 C1=CC=C(C(=C1)C#N)N 5222 [1,1,0,0,0,0|2,0,0]=4 278 B9R1.15 C1=CC=C(C(=C1)C#N)O 9517 [1,1,0,0,0,0|2,0,0]=4 279 B9R1.15 C1=CC=C(C(=C1)C=O)O 5096 [1,1,0,0,0,0|2,0,0]=4 280 B9R1.15 C1=CC=C(C(=C1)CBr)F 5007 [1,1,0,0,0,0|2,0,0]=4 281 B9R1.15 C1=CC=C(C(=C1)CBr)F 5138 [1,1,0,0,0,0|2,0,0]=4 282 B9R1.15 C1=CC=C(C(=C1)CN)Br 8860 [1,1,0,0,0,0|2,0,0]=4 283 B9R1.15 C1=CC=C(C(=C1)CN)Cl 9625 [1,1,0,0,0,0|2,0,0]=4 284 B9R1.15 C1=CC=C(C(=C1)CN)F 8921 [1,1,0,0,0,0|2,0,0]=4 285 B9R1.15 C1=CC=C(C(=C1)CO)Cl 5137 [1,1,0,0,0,0|2,0,0]=4 286 B9R1.15 C1=CC=C(C(=C1)CO)F 6299 [1,1,0,0,0,0|2,0,0]=4 287 B9R1.15 C1=CC=C(C(=C1)CO)O 10170 [1,1,0,0,0,0|2,0,0]=4 288 B9R1.15 C1=CC=C(C(=C1)CO)O 8851 [1,1,0,0,0,0|2,0,0]=4 289 B9R1.15 C1=CC=C(C(=C1)NN)F 5985 [1,1,0,0,0,0|2,0,0]=4 290 B9R1.15 CC1=CC=CC=C1CO 6723 [1,1,0,0,0,0|2,0,0]=4 291 B9R1.15 CCC1=CC=CC=C1I 6010 [1,1,0,0,0,0|1,0,0]=3 292 B9R1.15 CCC1=CC=CC=C1S 5060 [1,1,0,0,0,0|1,0,0]=3 293 B9R1.15 COC1=C(C=CC=N1)N 6512 [1,1,0,0,0,0|1,0,0]=3 294 B9R1.15 COC1=C(N=CC=C1)Cl 9004 [1,1,0,0,0,0|1,0,0]=3 295 B9R1.15 COC1=CC=CC=C1Br 6133 [1,1,0,0,0,0|0,0,0]=2 296 B9R1.15 COC1=CC=CC=C1F 6115 [1,1,0,0,0,0|0,0,0]=2 297 B9R1.15 COC1=CC=CC=C1I 9182 [1,1,0,0,0,0|0,0,0]=2 298 B9R1.15 COC1=CC=CC=C1N 6674 [1,1,0,0,0,0|0,0,0]=2 299 B9R1.15 COc1ccccc1Br B0022 [1,1,0,0,0,0|0,0,0]=2 300 B9R1.15 CSC1=CC=CC=C1Br 5058 [1,1,0,0,0,0|0,1,0]=3 301 B9R1.15 CSC1=CC=CC=C1Cl 6157 [1,1,0,0,0,0|0,1,0]=3 302 B9R1.15 CSC1=CC=CC=C1N 8226 [1,1,0,0,0,0|0,1,0]=3 303 B9R1.15 CSC1=CC=CC=C1O 8029 [1,1,0,0,0,0|0,1,0]=3 304 B9R1.15 c1ccc(c(c1)CBr)Cl 8338 [1,1,0,0,0,0|2,0,0]=4 305 B9R1.69 C1=CC(=C(C=C1Br)Br)F 6201 [1,1,0,0,0,0|2,0,0]=4 306 B9R1.69 C1=CC(=C(C=C1Br)Br)N 6160 [1,1,0,0,0,0|2,0,0]=4 307 B9R1.69 C1=CC(=C(C=C1Br)Cl)Cl 5098 [1,1,0,0,0,0|2,0,0]=4 308 B9R1.69 C1=CC(=C(C=C1Br)Cl)F 5541 [1,1,0,0,0,0|2,0,0]=4 309 B9R1.69 C1=CC(=C(C=C1Br)Cl)I 8228 [1,1,0,0,0,0|2,0,0]=4 310 B9R1.69 C1=CC(=C(C=C1Br)F)Br 5609 [1,1,0,0,0,0|2,0,0]=4 311 B9R1.69 C1=CC(=C(C=C1Br)F)Cl 5073 [1,1,0,0,0,0|2,0,0]=4 312 B9R1.69 C1=CC(=C(C=C1Br)F)Cl 6178 [1,1,0,0,0,0|2,0,0]=4 313 B9R1.69 C1=CC(=C(C=C1Br)F)F 6000 [1,1,0,0,0,0|2,0,0]=4 314 B9R1.69 C1=CC(=C(C=C1Br)F)I 5546 [1,1,0,0,0,0|2,0,0]=4 315 B9R1.69 C1=CC(=C(C=C1Br)F)N 5271 [1,1,0,0,0,0|2,0,0]=4 316 B9R1.69 C1=CC(=C(C=C1Br)F)N 5547 [1,1,0,0,0,0|2,0,0]=4 317 B9R1.69 C1=CC(=C(C=C1Br)F)O 5337 [1,1,0,0,0,0|1,0,0]=3 318 B9R1.69 C1=CC(=C(C=C1Br)N)N 5041 [1,1,0,0,0,0|2,0,0]=4 319 B9R1.69 C1=CC(=C(C=C1Br)N)O 8620 [1,1,0,0,0,0|1,0,0]=3 320 B9R1.69 C1=CC(=C(C=C1Cl)Br)F 6484 [1,1,0,0,0,0|2,0,0]=4 321 B9R1.69 C1=CC(=C(C=C1Cl)Br)N 8533 [1,1,0,0,0,0|2,0,0]=4 322 B9R1.69 C1=CC(=C(C=C1Cl)Cl)Br 6522 [1,1,0,0,0,0|2,0,0]=4 323 B9R1.69 C1=CC(=C(C=C1Cl)Cl)F 5400 [1,1,0,0,0,0|2,0,0]=4 324 B9R1.69 C1=CC(=C(C=C1Cl)Cl)S 6151 [1,1,0,0,0,0|1,1,0]=4 325 B9R1.69 C1=CC(=C(C=C1Cl)F)Br 6177 [1,1,0,0,0,0|2,0,0]=4 326 B9R1.69 C1=CC(=C(C=C1Cl)F)I 9921 [1,1,0,0,0,0|2,0,0]=4 327 B9R1.69 C1=CC(=C(C=C1Cl)F)N 5025 [1,1,0,0,0,0|2,0,0]=4 328 B9R1.69 C1=CC(=C(C=C1Cl)F)O 8240 [1,1,0,0,0,0|1,0,0]=3 329 B9R1.69 C1=CC(=C(C=C1Cl)I)N 5011 [1,1,0,0,0,0|2,0,0]=4 330 B9R1.69 C1=CC(=C(C=C1Cl)N)Br 10527 [1,1,0,0,0,0|2,0,0]=4 331 B9R1.69 C1=CC(=C(C=C1Cl)N)F 5788 [1,1,0,0,0,0|2,0,0]=4 332 B9R1.69 C1=CC(=C(C=C1Cl)N)N 10655 [1,1,0,0,0,0|2,0,0]=4 333 B9R1.69 C1=CC(=C(C=C1F)Cl)Br 9301 [1,1,0,0,0,0|2,0,0]=4 334 B9R1.69 C1=CC(=C(C=C1F)Cl)N 6049 [1,1,0,0,0,0|2,0,0]=4 335 B9R1.69 C1=CC(=C(C=C1F)Cl)S 6413 [1,1,0,0,0,0|1,1,0]=4 336 B9R1.69 C1=CC(=C(C=C1F)F)Cl 6187 [1,1,0,0,0,0|2,0,0]=4 337 B9R1.69 C1=CC(=C(C=C1F)F)I 8762 [1,1,0,0,0,0|2,0,0]=4 338 B9R1.69 C1=CC(=C(C=C1F)F)N 5063 [1,1,0,0,0,0|2,0,0]=4 339 B9R1.69 C1=CC(=C(C=C1F)F)O 10593 [1,1,0,0,0,0|1,0,0]=3 340 B9R1.69 C1=CC(=C(C=C1F)I)N 6566 [1,1,0,0,0,0|2,0,0]=4 341 B9R1.69 C1=CC(=C(C=C1F)N)Br 5466 [1,1,0,0,0,0|2,0,0]=4 342 B9R1.69 C1=CC(=C(C=C1F)N)Cl 8573 [1,1,0,0,0,0|2,0,0]=4 343 B9R1.69 C1=CC(=C(C=C1F)N)F 5391 [1,1,0,0,0,0|2,0,0]=4 344 B9R1.69 C1=CC(=C(C=C1F)N)N 8159 [1,1,0,0,0,0|2,0,0]=4 345 B9R1.69 C1=CC(=C(C=C1F)N)O 9491 [1,1,0,0,0,0|1,0,0]=3 346 B9R1.69 C1=CC(=C(C=C1F)O)Br 6182 [1,1,0,0,0,0|2,0,0]=4 347 B9R1.69 C1=CC(=C(C=C1F)O)N 5456 [1,1,0,0,0,0|2,0,0]=4 348 B9R1.69 C1=CC(=C(C=C1I)Cl)Br 9399 [1,1,0,0,0,0|2,0,0]=4 349 B9R1.69 C1=CC(=C(C=C1I)Cl)F 8917 [1,1,0,0,0,0|2,0,0]=4 350 B9R1.69 C1=CC(=C(C=C1I)Cl)N 5567 [1,1,0,0,0,0|2,0,0]=4 351 B9R1.69 C1=CC(=C(C=C1I)F)Br 6412 [1,1,0,0,0,0|2,0,0]=4 352 B9R1.69 C1=CC(=C(C=C1I)F)F 8933 [1,1,0,0,0,0|2,0,0]=4 353 B9R1.69 C1=CC(=C(C=C1I)F)I 8788 [1,1,0,0,0,0|2,0,0]=4 354 B9R1.69 C1=CC(=C(C=C1I)F)N 5568 [1,1,0,0,0,0|2,0,0]=4 355 B9R1.69 C1=CC(=C(C=C1N)Br)Cl 8804 [1,1,0,0,0,0|2,0,0]=4 356 B9R1.69 C1=CC(=C(C=C1N)Br)F 9837 [1,1,0,0,0,0|2,0,0]=4 357 B9R1.69 C1=CC(=C(C=C1N)Cl)Cl 6584 [1,1,0,0,0,0|2,0,0]=4 358 B9R1.69 C1=CC(=C(C=C1N)Cl)F 6046 [1,1,0,0,0,0|2,0,0]=4 359 B9R1.69 C1=CC(=C(C=C1N)Cl)F 9805 [1,1,0,0,0,0|2,0,0]=4 360 B9R1.69 C1=CC(=C(C=C1N)F)F 6033 [1,1,0,0,0,0|2,0,0]=4 361 B9R1.69 C1=CC(=C(C=C1N)F)O 6473 [1,1,0,0,0,0|1,0,0]=3 362 B9R1.69 C1=CC(=C(C=C1O)F)Cl 6195 [1,1,0,0,0,0|1,0,0]=3 363 B9R1.69 C1=CC(=C(C=C1O)F)F 10058 [1,1,0,0,0,0|1,0,0]=3 364 B9R1.69 C1=CC(=C(C=C1O)N)F 8132 [1,1,0,0,0,0|1,0,0]=3 365 B9R1.69 CC1=C(C=C(C=C1)Br)Br 8117 [1,1,0,0,0,0|1,0,0]=3 366 B9R1.69 CC1=C(C=C(C=C1)Br)F 5338 [1,1,0,0,0,0|1,0,0]=3 367 B9R1.69 CC1=C(C=C(C=C1)Br)O 8476 [1,1,0,0,0,0|1,0,0]=3 368 B9R1.69 CC1=C(C=C(C=C1)Cl)Br 10285 [1,1,0,0,0,0|1,0,0]=3 369 B9R1.69 CC1=C(C=C(C=C1)Cl)I 8997 [1,1,0,0,0,0|1,0,0]=3 370 B9R1.69 CC1=C(C=C(C=C1)Cl)S 9802 [1,1,0,0,0,0|1,0,0]=3 371 B9R1.69 CC1=C(C=C(C=C1)F)Br 9373 [1,1,0,0,0,0|1,0,0]=3 372 B9R1.69 CC1=C(C=C(C=C1)F)C 6113 [1,1,0,0,0,0|1,0,0]=3 373 B9R1.69 CC1=C(C=C(C=C1)F)N 6050 [1,1,0,0,0,0|1,0,0]=3 374 B9R1.69 CC1=C(C=C(C=C1)N)F 6047 [1,1,0,0,0,0|1,0,0]=3 375 B9R1.69 CC1=C(C=C(C=C1)N)O 10159 [1,1,0,0,0,0|1,0,0]=3 376 B9R1.69 CC1=C(C=CC(=C1)Br)Br 8391 [1,1,0,0,0,0|2,0,0]=4 377 B9R1.69 CC1=C(C=CC(=C1)Br)Cl 5543 [1,1,0,0,0,0|2,0,0]=4 378 B9R1.69 CC1=C(C=CC(=C1)Br)F 6043 [1,1,0,0,0,0|2,0,0]=4 379 B9R1.69 CC1=C(C=CC(=C1)Br)I 10304 [1,1,0,0,0,0|2,0,0]=4 380 B9R1.69 CC1=C(C=CC(=C1)Br)I 6526 [1,1,0,0,0,0|2,0,0]=4 381 B9R1.69 CC1=C(C=CC(=C1)Br)N 9725 [1,1,0,0,0,0|2,0,0]=4 382 B9R1.69 CC1=C(C=CC(=C1)Br)O 5111 [1,1,0,0,0,0|1,0,0]=3 383 B9R1.69 CC1=C(C=CC(=C1)Cl)Br 9792 [1,1,0,0,0,0|2,0,0]=4 384 B9R1.69 CC1=C(C=CC(=C1)Cl)I 8729 [1,1,0,0,0,0|2,0,0]=4 385 B9R1.69 CC1=C(C=CC(=C1)F)Br 5273 [1,1,0,0,0,0|2,0,0]=4 386 B9R1.69 CC1=C(C=CC(=C1)F)Br 6041 [1,1,0,0,0,0|2,0,0]=4 387 B9R1.69 CC1=C(C=CC(=C1)F)F 5294 [1,1,0,0,0,0|2,0,0]=4 388 B9R1.69 CC1=C(C=CC(=C1)F)F 8711 [1,1,0,0,0,0|2,0,0]=4 389 B9R1.69 CC1=C(C=CC(=C1)F)I 5554 [1,1,0,0,0,0|2,0,0]=4 390 B9R1.69 CC1=C(C=CC(=C1)F)N 5346 [1,1,0,0,0,0|2,0,0]=4 391 B9R1.69 CC1=C(C=CC(=C1)I)F 6231 [1,1,0,0,0,0|2,0,0]=4 392 B9R1.69 CC1=C(C=CC(=C1)I)N 5381 [1,1,0,0,0,0|2,0,0]=4 393 B9R1.69 CC1=C(C=CC(=C1)N)Br 10225 [1,1,0,0,0,0|2,0,0]=4 394 B9R1.69 CC1=C(C=CC(=C1)N)F 5275 [1,1,0,0,0,0|2,0,0]=4 395 B9R1.69 CC1=C(C=CC(=C1)O)Br 10033 [1,1,0,0,0,0|1,0,0]=3 396 B9R1.69 CC1=C(C=CC(=C1)O)F 6307 [1,1,0,0,0,0|1,0,0]=3 397 B9R1.69 CC1=C(C=CC(=C1)O)N 10166 [1,1,0,0,0,0|1,0,0]=3 398 B9R1.69 CC1=CC(=C(C=C1)Br)Cl 8156 [1,1,0,0,0,0|1,0,0]=3 399 B9R1.69 CC1=CC(=C(C=C1)Br)F 6101 [1,1,0,0,0,0|1,0,0]=3 400 B9R1.69 CC1=CC(=C(C=C1)C)Br 8829 [1,1,0,0,0,0|0,0,0]=2 401 B9R1.69 CC1=CC(=C(C=C1)C)I 8028 [1,1,0,0,0,0|0,0,0]=2 402 B9R1.69 CC1=CC(=C(C=C1)C)N 5322 [1,1,0,0,0,0|0,0,0]=2 403 B9R1.69 CC1=CC(=C(C=C1)C)O 6763 [1,1,0,0,0,0|0,0,0]=2 404 B9R1.69 CC1=CC(=C(C=C1)Cl)Br 5106 [1,1,0,0,0,0|1,0,0]=3 405 B9R1.69 CC1=CC(=C(C=C1)F)Br 6183 [1,1,0,0,0,0|1,0,0]=3 406 B9R1.69 CC1=CC(=C(C=C1)F)Cl 6423 [1,1,0,0,0,0|1,0,0]=3 407 B9R1.69 CC1=CC(=C(C=C1)F)I 6427 [1,1,0,0,0,0|1,0,0]=3 408 B9R1.69 CC1=CC(=C(C=C1)F)N 6577 [1,1,0,0,0,0|1,0,0]=3 409 B9R1.69 CC1=CC(=C(C=C1)F)O 5573 [1,1,0,0,0,0|1,0,0]=3 410 B9R1.69 CC1=CC(=C(C=C1)I)Br 5051 [1,1,0,0,0,0|1,0,0]=3 411 B9R1.69 CC1=CC(=C(C=C1)I)C 9318 [1,1,0,0,0,0|1,0,0]=3 412 B9R1.69 CC1=CC(=C(C=C1)N)F 6048 [1,1,0,0,0,0|1,0,0]=3 413 B9R1.69 CC1=CC(=C(C=C1)N)N 6659 [1,1,0,0,0,0|1,0,0]=3 414 B9R1.69 CC1=CC(=C(C=C1)O)Cl 10579 [1,1,0,0,0,0|0,0,0]=2 415 B9R1.69 CC1=CC(=C(C=C1)O)N 8098 [1,1,0,0,0,0|0,0,0]=2 416 B9R1.69 CC1=CC(=C(N=C1)Br)N 8112 [1,1,0,0,0,0|2,0,0]=4 417 B9R1.69 CC1=CC(=C(N=C1)Cl)Br 8055 [1,1,0,0,0,0|2,0,0]=4 418 B9R1.69 CC1=CC(=C(N=C1)Cl)F 10553 [1,1,0,0,0,0|2,0,0]=4 419 B9R1.69 CC1=CC(=C(N=C1)Cl)N 8400 [1,1,0,0,0,0|2,0,0]=4 420 B9R1.69 CC1=CC(=C(N=C1)F)Br 9709 [1,1,0,0,0,0|2,0,0]=4 421 B9R1.69 CC1=NC(=C(C=C1)Br)C 6834 [1,1,0,0,0,0|2,0,0]=4 422 B9R1.69 CC1=NC(=C(C=C1)N)Br 6720 [1,1,0,0,0,0|2,0,0]=4 423 B9R1.69 CC1=NC(=C(C=C1)N)Cl 8825 [1,1,0,0,0,0|2,0,0]=4 424 B9R1.69 Cc1ccc(c(c1)O)N A0481 [1,1,0,0,0,0|1,0,0]=3 425 B9R1.69 c1cc(c(cc1Cl)N)N C0263 [1,1,0,0,0,0|2,0,0]=4 426 B9R1.35 CC1=CC=C(S1)C(=O)C 10140 [0,1,0,0,1,0|2,0,0]=4 427 B11R1.1 C#CCOc1ccc(cc1)N A1659 [0,2,0,0,0,0|1,0,0]=3 428 B11R1.1 CCCCC1=CC=C(C=C1)I 10271 [0,2,0,0,0,0|2,0,0]=4 429 B11R1.20 C1=CC(=CC=C1N)OC(F)F 5637 [0,2,0,0,0,0|1,0,0]=3 430 B11R1.20 C1=CC(=CC=C1OC(F)F)Br 5636 [0,2,0,0,0,0|1,0,0]=3 431 B11R1.20 C1=CC(=CC=C1OC(F)F)Cl 6686 [0,2,0,0,0,0|1,0,0]=3 432 B11R1.20 C1=CC(=CC=C1OC(F)F)I 6213 [0,2,0,0,0,0|1,0,0]=3 433 B11R1.20 CC(=O)CC1=CC=C(C=C1)Cl 5593 [0,2,0,0,0,0|2,0,0]=4 434 B11R1.20 CC(=O)Nc1ccc(cc1)O A0029 [0,2,0,0,0,0|2,0,0]=4 435 B11R1.20 CC(C)OC1=CC=C(C=C1)Br 8626 [0,2,0,0,0,0|1,0,0]=3 436 B11R1.20 CC(C)OC1=CC=C(C=C1)N 9611 [0,2,0,0,0,0|1,0,0]=3 437 B11R1.22 C1=CC(=CC=C1C(=O)CBr)Br 5388 [0,2,0,0,0,0|2,0,0]=4 438 B11R1.22 C1=CC(=CC=C1C(=O)CBr)Cl 8413 [0,2,0,0,0,0|2,0,0]=4 439 B11R1.22 C1=CC(=CC=C1C(=O)CBr)F 5562 [0,2,0,0,0,0|2,0,0]=4 440 B11R1.22 C1=CC(=CC=C1C(=O)CBr)F 6515 [0,2,0,0,0,0|2,0,0]=4 441 B11R1.22 C1=CC(=CC=C1C(=O)CBr)O 10265 [0,2,0,0,0,0|2,0,0]=4 442 B11R1.22 COC(=O)C1=CC=C(C=C1)N 6641 [0,2,0,0,0,0|1,0,0]=3 443 B11R1.22 COC(=O)C1=CN=C(C=C1)N 5257 [0,2,0,0,0,0|2,0,0]=4 444 B11R1.22 COC(=O)C1=CN=C(C=C1)N 9348 [0,2,0,0,0,0|2,0,0]=4 445 B11R1.83 CCOC1=CC=C(C=C1)C=O 9437 [0,2,0,0,0,0|0,0,1]=3 446 B11R1.83 COC1=CC=C(C=C1)CC#N 9711 [0,2,0,0,0,0|0,0,0]=2 447 B11R1.83 CSC1=CC=C(C=C1)CC#N 9479 [0,2,0,0,0,0|0,1,0]=3 448 B11R1.83 C\C=C\C1=CC=C(C=C1)OC 5527 [0,2,0,0,0,0|0,0,0]=2 449 B11R1.192 CC1=C(C=C(C=C1)N=C=S)C 5600 [0,2,0,0,0,0|1,0,1]=4 450 B11R1.3 B(C1=CC=C(C=C1)CBr)(O)O 8393 [0,2,0,0,0,0|2,0,0]=4 451 B11R1.3 B(C1=CC=C(C=C1)CC)(O)O 5017 [0,2,0,0,0,0|2,0,0]=4 452 B11R1.3 B(C1=CC=C(C=C1)CO)(O)O 6503 [0,2,0,0,0,0|2,0,0]=4 453 B11R1.3 B(C1=CC=C(C=C1)OC)(O)O 9492 [0,2,0,0,0,0|1,0,0]=3 454 B11R1.3 B(C1=CN=C(C=C1)OC)(O)O 6457 [0,2,0,0,0,0|2,0,0]=4 455 B11R1.3 C1=CC(=CC=C1CN)C(=O)O 6756 [0,2,0,0,0,0|2,0,0]=4 456 B11R1.3 CC(=O)C1=CC=C(C=C1)C#N 6778 [0,2,0,0,0,0|1,0,1]=4 457 B11R1.3 CN(C)C1=CC=C(C=C1)CN 9794 [0,2,0,0,0,0|1,0,0]=3 458 B11R1.3 COC1=CC=C(C=C1)C(=O)O 10197 [0,2,0,0,0,0|0,0,1]=3 459 B11R1.3 COC1=NC=C(C=C1)C(=O)O 6684 [0,2,0,0,0,0|1,0,1]=4 460 B11R1.279 COC1=C(C=C(C=C1)C#N)F 8483 [0,2,0,0,0,0|0,0,1]=3 461 B11R1.279 COC1=C(C=C(C=C1)CBr)F 6494 [0,2,0,0,0,0|0,0,0]=2 462 B11R1.279 COC1=CC(=C(C=C1)C=O)F 6304 [0,2,0,0,0,0|0,0,1]=3 463 B11R1.279 COC1=CC(=C(C=C1)OC)Br 5967 [0,2,0,0,0,0|0,0,0]=2 464 B11R1.279 COC1=CC(=C(C=C1)OC)N 8812 [0,2,0,0,0,0|0,0,0]=2 465 B11R1.19 CC(C)(C)C1=CC=C(C=C1)Br 5112 [0,2,0,0,0,0|2,0,0]=4 466 B11R1.19 CC(C)(C)C1=CC=C(C=C1)O 9567 [0,2,0,0,0,0|2,0,0]=4 467 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)C 9927 [0,2,0,0,0,0|0,1,0]=3 468 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O 5499 [0,2,0,0,0,0|1,1,0]=4 469 B11R1.19 CC1=CC=C(C=C1)S(=O)(=O)O 8893 [0,2,0,0,0,0|1,1,0]=4 470 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)Br 6161 [0,2,0,0,0,0|1,1,0]=4 471 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)N 8975 [0,2,0,0,0,0|1,1,0]=4 472 B11R1.19 CS(=O)(=O)C1=CC=C(C=C1)O 5187 [0,2,0,0,0,0|1,1,0]=4 473 B11R1.21 B(C1=CC(=C(C=C1)C)F)(O)O 9368 [0,2,0,0,0,0|2,0,0]=4 474 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)Br 6438 [0,2,0,0,0,0|2,0,0]=4 475 B11R1.21 CC(=O)C1=CC(=C(C=C1)F)F 5378 [0,2,0,0,0,0|2,0,0]=4 476 B11R1.21 CC(=O)C1=CC(=C(C=C1)O)F 6468 [0,2,0,0,0,0|2,0,0]=4 477 B11R1.21 CC1=C(C=C(C=C1)C(=O)C)F 8214 [0,2,0,0,0,0|1,0,0]=3 478 B11R1.21 CC1=C(C=C(C=C1)C(=O)Cl)F 5569 [0,2,0,0,0,0|2,0,0]=4 479 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)C 10163 [0,2,0,0,0,0|2,0,0]=4 480 B11R1.21 CC1=C(C=C(C=C1)C(=O)N)F 8586 [0,2,0,0,0,0|2,0,0]=4 481 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)Cl 6856 [0,2,0,0,0,0|2,0,0]=4 482 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)F 5127 [0,2,0,0,0,0|2,0,0]=4 483 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)F 8978 [0,2,0,0,0,0|2,0,0]=4 484 B11R1.21 CC1=C(C=C(C=C1)C(=O)O)I 6495 [0,2,0,0,0,0|2,0,0]=4 485 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])Br 5341 [0,2,0,0,0,0|2,0,0]=4 486 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])F 5574 [0,2,0,0,0,0|2,0,0]=4 487 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])I 5610 [0,2,0,0,0,0|2,0,0]=4 488 B11R1.21 CC1=C(C=C(C=C1)[N+](=O)[O-])N 9544 [0,2,0,0,0,0|2,0,0]=4 489 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)F 10081 [0,2,0,0,0,0|2,0,0]=4 490 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)O 9883 [0,2,0,0,0,0|2,0,0]=4 491 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O 6607 [0,2,0,0,0,0|2,0,0]=4 492 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O 6608 [0,2,0,0,0,0|2,0,0]=4 493 B11R1.37 COC1=C(C=C(C=C1)Br)OC 6005 [0,2,0,0,0,0|1,0,0]=3 494 B11R1.37 COC1=C(C=C(C=C1)N)OC 6610 [0,2,0,0,0,0|1,0,0]=3 495 B11R1.277 COC1=CC(=C(C=C1F)Br)F 9221 [0,2,0,0,0,0|1,0,0]=3 496 B11R1.277 COC1=NC(=C(C=C1F)F)F 9345 [0,2,0,0,0,0|2,0,0]=4 497 B11R1.278 CC1=C(C(=C(C=C1)C=O)F)F 5389 [0,2,0,0,0,0|2,0,0]=4 498 B11R1.278 CC1=C(C(=C(C=C1)OC)F)F 6272 [0,2,0,0,0,0|0,0,0]=2 499 B11R1.464 CC1=CC(=C(C(=C1)C)C=O)C 9200 [0,2,0,0,0,0|2,0,0]=4 500 B11R1.464 COC1=C(C=C(C=C1Br)F)F 6485 [0,2,0,0,0,0|1,0,0]=3 501 B11R1.464 COC1=C(C=C(C=C1F)Br)F 5533 [0,2,0,0,0,0|1,0,0]=3 502 B11R1.464 COC1=C(C=C(C=C1F)F)F 8305 [0,2,0,0,0,0|1,0,0]=3 503 B11R1.280 CC1=C(C=C(C=C1)C=O)C#N 9133 [0,2,0,0,0,0|2,0,0]=4 504 B11R1.280 COC1=CC(=C(C=C1)F)C#N 8644 [0,2,0,0,0,0|1,0,0]=3 505 B11R1.280 COC1=CC(=C(C=C1)I)OC 8019 [0,2,0,0,0,0|1,0,0]=3 506 B11R1.280 COC1=CC(=C(C=C1)S)OC 10443 [0,2,0,0,0,0|1,0,0]=3 507 B9R1.3 CC1=C(C(=CC=C1)C)Br 8575 [0,0,1,1,0,0|2,0,0]=4 508 B9R1.3 CC1=C(C(=CC=C1)C)O 5710 [0,0,1,1,0,0|2,0,0]=4 509 B11R2.36 C1CNC2=C1C=C(C=C2)Cl 9578 [0,1,0,1,0,0|2,0,0]=4 510 B11R2.36 C1OC2=C(O1)C=C(C=C2)N 9966 [0,1,0,1,0,0|1,0,0]=3 511 B11R2.36 CC1=CC2=C(C=C1)C=CN2 5403 [0,1,0,1,0,0|1,0,1]=4 512 B11R2.36 CC1=CC2=C(C=C1)C=CN2 6502 [0,1,0,1,0,0|1,0,1]=4 513 B11R2.36 c1cc2c(cc1F)CCN2 F1286 [0,1,0,1,0,0|2,0,0]=4 514 B7R1.2 CC1=CC(=NN1)C 10496 [1,0,0,0,1,0|2,0,0]=4 515 B7R1.2 CC1=CC(=NO1)C 9870 [1,0,0,0,1,0|2,0,0]=4 516 B7R1.2 CC1=CC=C(S1)Br 6601 [1,0,0,0,1,0|2,0,0]=4 517 B7R1.2 CC1=CSC(=N1)C 6124 [1,0,0,0,1,0|2,0,0]=4 518 B7R1.2 Cc1cc(n[nH]1)C D0196 [1,0,0,0,1,0|2,0,0]=4 519 B7R1.2 Cc1csc(n1)C D0198 [1,0,0,0,1,0|2,0,0]=4