0 B9R1.15 C1=CC(=C(N=C1)C#N)F 5084 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.15 C1=CC(=C(N=C1)Cl)C#N 5375 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.15 C1=CC(=C(N=C1)Cl)CO 6736 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.15 C1=CC(=C(N=C1)F)C#N 5238 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.15 C1=CC(=C(N=C1)N)C=O 9322 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.15 C1=CC=C(C(=C1)C#N)Br 5156 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.15 C1=CC=C(C(=C1)C#N)F 9273 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.15 C1=CC=C(C(=C1)C#N)F 9465 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.15 C1=CC=C(C(=C1)C#N)I 5184 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.15 C1=CC=C(C(=C1)C#N)N 5222 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.15 C1=CC=C(C(=C1)C#N)O 9517 [0,0,0,0,0,0|2,1,0]=3 11 B9R1.15 C1=CC=C(C(=C1)C=O)O 5096 [0,0,0,0,0,0|2,1,0]=3 12 B9R1.15 C1=CC=C(C(=C1)CBr)F 5007 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.15 C1=CC=C(C(=C1)CBr)F 5138 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.15 C1=CC=C(C(=C1)CN)Br 8860 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.15 C1=CC=C(C(=C1)CN)Cl 9625 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.15 C1=CC=C(C(=C1)CN)F 8921 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.15 C1=CC=C(C(=C1)CO)Cl 5137 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.15 C1=CC=C(C(=C1)CO)F 6299 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.15 C1=CC=C(C(=C1)CO)O 10170 [0,0,0,0,0,0|2,1,0]=3 20 B9R1.15 C1=CC=C(C(=C1)CO)O 8851 [0,0,0,0,0,0|2,1,0]=3 21 B9R1.15 C1=CC=C(C(=C1)NN)F 5985 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.15 CC1=CC=CC=C1CO 6723 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.15 CCC1=CC=CC=C1I 6010 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.15 CCC1=CC=CC=C1S 5060 [0,0,0,0,0,0|1,0,0]=1 25 B9R1.15 COC1=C(C=CC=N1)N 6512 [0,0,0,0,0,0|2,0,0]=2 26 B9R1.15 COC1=C(N=CC=C1)Cl 9004 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.15 COC1=CC=CC=C1Br 6133 [0,0,0,0,0,0|1,0,0]=1 28 B9R1.15 COC1=CC=CC=C1F 6115 [0,0,0,0,0,0|1,0,0]=1 29 B9R1.15 COC1=CC=CC=C1I 9182 [0,0,0,0,0,0|1,0,0]=1 30 B9R1.15 COC1=CC=CC=C1N 6674 [0,0,0,0,0,0|1,0,0]=1 31 B9R1.15 COc1ccccc1Br B0022 [0,0,0,0,0,0|1,0,0]=1 32 B9R1.15 CSC1=CC=CC=C1Br 5058 [0,0,0,0,0,0|1,1,0]=2 33 B9R1.15 CSC1=CC=CC=C1Cl 6157 [0,0,0,0,0,0|1,1,0]=2 34 B9R1.15 CSC1=CC=CC=C1N 8226 [0,0,0,0,0,0|1,1,0]=2 35 B9R1.15 CSC1=CC=CC=C1O 8029 [0,0,0,0,0,0|0,2,0]=2 36 B9R1.15 c1ccc(c(c1)CBr)Cl 8338 [0,0,0,0,0,0|3,0,0]=3 37 B8R1.2 C1=CC(=CN=C1)CCl 5990 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.2 C1=CC(=CN=C1)CN 10146 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.2 C1=CC(=CN=C1)CO 8600 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.2 C1=CC=C(C=C1)NN 6820 [1,0,0,0,0,0|2,0,0]=3 41 B8R1.2 C1=CC=NC(=C1)CCl 10463 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.2 C1=CC=NC(=C1)CN 5496 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.2 C1=CN=CC=C1CCl 8451 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.2 COC1=CC=CC=N1 9619 [1,0,0,0,0,0|1,0,0]=2 45 B8R1.2 COC1=CC=NC=C1 10117 [1,0,0,0,0,0|1,0,0]=2 46 B8R1.2 c1ccnc(c1)C=O P0092 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.2 c1cnccc1C=O P0128 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.2 c1cnccc1C=O P0128 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.5 C1=CC(=C(N=C1)Br)Br 9457 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.5 C1=CC(=C(N=C1)Cl)Br 9039 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.5 C1=CC(=C(N=C1)Cl)Cl 5463 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.5 C1=CC(=C(N=C1)Cl)Cl 6656 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.5 C1=CC(=C(N=C1)Cl)F 5206 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.5 C1=CC(=C(N=C1)Cl)I 8613 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.5 C1=CC(=C(N=C1)Cl)N 6694 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.5 C1=CC(=C(N=C1)Cl)O 6690 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.5 C1=CC(=C(N=C1)F)Cl 8500 [1,0,0,0,0,0|3,0,0]=4 58 B8R1.5 C1=CC(=C(N=C1)F)F 5471 [1,0,0,0,0,0|3,0,0]=4 59 B8R1.5 C1=CC(=C(N=C1)N)Br 6715 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.5 C1=CC(=C(N=C1)N)Cl 10389 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.5 C1=CC(=C(N=C1)N)F 10619 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.5 C1=CC(=C(N=C1)N)N 9712 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.5 C1=CC=C(C(=C1)Br)Br 5382 [1,0,0,0,0,0|2,0,0]=3 64 B8R1.5 C1=CC=C(C(=C1)Br)I 6003 [1,0,0,0,0,0|2,0,0]=3 65 B8R1.5 C1=CC=C(C(=C1)Cl)Br 9010 [1,0,0,0,0,0|2,0,0]=3 66 B8R1.5 C1=CC=C(C(=C1)Cl)Cl 5752 [1,0,0,0,0,0|2,0,0]=3 67 B8R1.5 C1=CC=C(C(=C1)F)Br 6002 [1,0,0,0,0,0|2,0,0]=3 68 B8R1.5 C1=CC=C(C(=C1)F)Cl 10274 [1,0,0,0,0,0|2,0,0]=3 69 B8R1.5 C1=CC=C(C(=C1)F)Cl 6006 [1,0,0,0,0,0|2,0,0]=3 70 B8R1.5 C1=CC=C(C(=C1)F)F 6007 [1,0,0,0,0,0|2,0,0]=3 71 B8R1.5 C1=CC=C(C(=C1)F)F 8369 [1,0,0,0,0,0|2,0,0]=3 72 B8R1.5 C1=CC=C(C(=C1)N)Br 5510 [1,0,0,0,0,0|2,0,0]=3 73 B8R1.5 C1=CC=C(C(=C1)N)F 6030 [1,0,0,0,0,0|2,0,0]=3 74 B8R1.5 C1=CC=C(C(=C1)N)I 9774 [1,0,0,0,0,0|2,0,0]=3 75 B8R1.5 C1=CC=C(C(=C1)O)Br 8498 [1,0,0,0,0,0|1,0,0]=2 76 B8R1.5 C1=CN=CC(=C1Br)Cl 6714 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.5 C1=CN=CC(=C1Cl)Cl 6626 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.5 C1=CN=CC(=C1Cl)F 6867 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.5 C1=CN=CC(=C1I)F 8281 [1,0,0,0,0,0|3,0,0]=4 80 B8R1.5 C1=CN=CC(=C1N)Br 9751 [1,0,0,0,0,0|3,0,0]=4 81 B8R1.5 C1=CN=CC(=C1N)N 9425 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.5 C1=CNC=C(C1=O)N 9533 [1,0,0,0,0,0|2,0,1]=4 83 B8R1.5 CC1=C(C=CC=N1)Br 5675 [1,0,0,0,0,0|2,0,0]=3 84 B8R1.5 CC1=C(C=CC=N1)N 10626 [1,0,0,0,0,0|2,0,0]=3 85 B8R1.5 CC1=C(C=CN=C1)Cl 9936 [1,0,0,0,0,0|2,0,0]=3 86 B8R1.5 CC1=C(C=NC=C1)Br 10003 [1,0,0,0,0,0|2,0,0]=3 87 B8R1.5 CC1=C(N=CC=C1)Br 8086 [1,0,0,0,0,0|2,0,0]=3 88 B8R1.5 CC1=CC=CC=C1Cl 5808 [1,0,0,0,0,0|1,0,0]=2 89 B8R1.5 CC1=CC=CC=C1I 5298 [1,0,0,0,0,0|1,0,0]=2 90 B8R1.5 CC1=NC=CN=C1C 10470 [1,0,0,0,0,0|3,0,0]=4 91 B8R1.5 c1ccc(c(c1)N)F F0011 [1,0,0,0,0,0|2,0,0]=3 92 B10R1.2 C1=CC(=C(C(=C1)Br)F)C#N 10090 [0,1,0,0,0,0|3,0,0]=4 93 B10R1.2 C1=CC(=C(C(=C1)Cl)Cl)C=O 6819 [0,1,0,0,0,0|3,0,0]=4 94 B10R1.2 C1=CC(=C(C(=C1)Cl)F)C#N 10487 [0,1,0,0,0,0|3,0,0]=4 95 B10R1.2 C1=CC(=C(C(=C1)Cl)F)C=O 5345 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.2 C1=CC(=C(C(=C1)Cl)F)C=O 6249 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.2 C1=CC(=C(C(=C1)Cl)F)CN 6252 [0,1,0,0,0,0|3,0,0]=4 98 B10R1.2 C1=CC(=C(C(=C1)F)Cl)C#N 6689 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.2 C1=CC(=C(C(=C1)F)F)C#N 6064 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.2 C1=CC(=C(C(=C1)F)F)C=O 6063 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.2 C1=CC(=C(C(=C1)F)F)CBr 9909 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.2 CC1=C(C(=CC=C1)CN)C 6546 [0,1,0,0,0,0|3,0,0]=4 103 B10R1.2 CC1=C(C=CC=C1Br)C#N 6769 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.2 CC1=C(C=CC=C1Cl)C#N 5120 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.2 CC1=C(C=CC=C1Cl)CN 6533 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.2 CC1=C(C=CC=C1F)C=O 9593 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.2 CC1=CC=CC(=C1C)C#N 5505 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.2 CC1=CC=CC(=C1C)C=O 9617 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.2 CC1=CC=CC(=C1F)C#N 9385 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.2 COC1=C(C(=CC=C1)Cl)F 9762 [0,1,0,0,0,0|1,0,0]=2 111 B10R1.2 COC1=C(C(=CC=C1)F)Br 9813 [0,1,0,0,0,0|1,0,0]=2 112 B10R1.2 COC1=C(C(=CC=C1)F)F 5984 [0,1,0,0,0,0|1,0,0]=2 113 B10R1.4 C1=CC=C(C(=C1)CC#N)F 5147 [0,1,0,0,0,0|2,0,1]=4 114 B10R1.4 C1=CC=C(C(=C1)CCN)Cl 6417 [0,1,0,0,0,0|2,0,0]=3 115 B10R1.4 C1=CC=C(C(=C1)CCO)F 5371 [0,1,0,0,0,0|2,0,0]=3 116 B10R1.4 C1=CC=C(C(=C1)N=C=S)F 8346 [0,1,0,0,0,0|2,0,1]=4 117 B10R1.4 CCOC1=CC=CC=C1F 5372 [0,1,0,0,0,0|1,0,0]=2 118 B10R1.20 C1=CC=C(C(=C1)C=O)C#N 8643 [0,1,0,0,0,0|2,1,0]=4 119 B10R1.20 CCC1=CC=CC=C1NN 10327 [0,1,0,0,0,0|2,0,0]=3 120 B10R1.20 CCC1=NC=CN=C1OC 5339 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.20 COC1=CC=CC=C1OC 9439 [0,1,0,0,0,0|0,1,0]=2 122 B10R1.20 COC1=CC=CC=C1SC 5663 [0,1,0,0,0,0|0,0,0]=1 123 B10R1.25 C1=CC(=C(C=C1Br)Cl)C#N 8523 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.25 C1=CC(=C(C=C1Br)F)C#N 5335 [0,1,0,0,0,0|3,0,0]=4 125 B10R1.25 C1=CC(=C(C=C1Br)F)CBr 6181 [0,1,0,0,0,0|3,0,0]=4 126 B10R1.25 C1=CC(=C(C=C1Br)F)CN 8039 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.25 C1=CC(=C(C=C1Br)N)C#N 10495 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.25 C1=CC(=C(C=C1Br)O)C#N 8623 [0,1,0,0,0,0|2,1,0]=4 129 B10R1.25 C1=CC(=C(C=C1Cl)Br)C#N 9719 [0,1,0,0,0,0|3,0,0]=4 130 B10R1.25 C1=CC(=C(C=C1Cl)Cl)NN 9013 [0,1,0,0,0,0|3,0,0]=4 131 B10R1.25 C1=CC(=C(C=C1Cl)F)CBr 5211 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.25 C1=CC(=C(C=C1Cl)F)CO 9790 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.25 C1=CC(=C(C=C1Cl)F)NN 5309 [0,1,0,0,0,0|3,0,0]=4 134 B10R1.25 C1=CC(=C(C=C1F)Br)C=O 5308 [0,1,0,0,0,0|3,0,0]=4 135 B10R1.25 C1=CC(=C(C=C1F)Cl)C#N 8906 [0,1,0,0,0,0|3,0,0]=4 136 B10R1.25 C1=CC(=C(C=C1F)Cl)C#N 9254 [0,1,0,0,0,0|3,0,0]=4 137 B10R1.25 C1=CC(=C(C=C1F)Cl)CN 6194 [0,1,0,0,0,0|3,0,0]=4 138 B10R1.25 C1=CC(=C(C=C1F)F)C#N 5162 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.25 C1=CC(=C(C=C1F)F)C=O 8215 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.25 C1=CC(=C(C=C1F)F)CBr 10356 [0,1,0,0,0,0|3,0,0]=4 141 B10R1.25 C1=CC(=C(C=C1F)F)CCl 10529 [0,1,0,0,0,0|3,0,0]=4 142 B10R1.25 C1=CC(=C(C=C1F)F)CN 5064 [0,1,0,0,0,0|3,0,0]=4 143 B10R1.25 C1=CC(=C(C=C1F)F)CO 5619 [0,1,0,0,0,0|3,0,0]=4 144 B10R1.25 C1=CC(=C(C=C1F)F)NN 5631 [0,1,0,0,0,0|3,0,0]=4 145 B10R1.25 C1=CC(=C(C=C1N)Br)C#N 10552 [0,1,0,0,0,0|3,0,0]=4 146 B10R1.25 C1=CC(=C(C=C1N)Cl)C#N 5725 [0,1,0,0,0,0|3,0,0]=4 147 B10R1.25 C1=CC(=C(C=C1N)F)C#N 8878 [0,1,0,0,0,0|3,0,0]=4 148 B10R1.25 C1=CC(=C(C=C1O)F)C#N 5126 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.25 C1=CC(=C(C=C1O)O)C=O 10275 [0,1,0,0,0,0|2,1,0]=4 150 B10R1.25 CC1=C(C=CC(=C1)Br)C#N 9732 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.25 CC1=C(C=CC(=C1)Br)C=O 9443 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.25 CC1=C(C=CC(=C1)F)C#N 8797 [0,1,0,0,0,0|3,0,0]=4 153 B10R1.25 CC1=CC(=C(C=C1)C#N)F 6654 [0,1,0,0,0,0|3,0,0]=4 154 B10R1.25 CC1=CC(=C(C=C1)OC)I 6862 [0,1,0,0,0,0|1,0,0]=2 155 B10R1.25 COC1=C(C=C(C=C1)Br)O 6683 [0,1,0,0,0,0|0,1,0]=2 156 B10R1.25 COC1=C(C=C(C=C1)Cl)Br 6521 [0,1,0,0,0,0|1,0,0]=2 157 B10R1.25 COC1=C(C=C(C=C1)Cl)I 6532 [0,1,0,0,0,0|1,0,0]=2 158 B10R1.25 COC1=C(C=C(C=C1)F)Br 6127 [0,1,0,0,0,0|1,0,0]=2 159 B10R1.25 COC1=C(C=C(C=C1)F)Cl 9547 [0,1,0,0,0,0|1,0,0]=2 160 B10R1.25 COC1=C(C=C(C=C1)F)F 5613 [0,1,0,0,0,0|1,0,0]=2 161 B10R1.25 COC1=C(C=C(C=C1)F)O 6489 [0,1,0,0,0,0|0,1,0]=2 162 B10R1.25 COC1=C(C=C(C=C1)N)Br 9331 [0,1,0,0,0,0|1,0,0]=2 163 B10R1.25 COC1=C(C=C(C=C1)N)F 5654 [0,1,0,0,0,0|1,0,0]=2 164 B10R1.25 COC1=C(C=C(C=C1)N)I 10230 [0,1,0,0,0,0|1,0,0]=2 165 B10R1.25 COC1=C(C=C(C=N1)Br)Br 9537 [0,1,0,0,0,0|2,0,0]=3 166 B10R1.25 COC1=C(C=C(C=N1)Cl)Br 6646 [0,1,0,0,0,0|2,0,0]=3 167 B10R1.25 COC1=NC=C(C=C1N)Br 9588 [0,1,0,0,0,0|2,0,0]=3 168 B10R1.25 Cc1cc(ccc1CN)F F0029 [0,1,0,0,0,0|3,0,0]=4 169 B10R1.25 c1cc(c(cc1F)F)C=O D0156 [0,1,0,0,0,0|3,0,0]=4 170 B10R1.30 C1=CC(=C(C=C1Br)C#N)Cl 8108 [0,1,0,0,0,0|3,0,0]=4 171 B10R1.30 C1=CC(=C(C=C1Br)C#N)N 5314 [0,1,0,0,0,0|3,0,0]=4 172 B10R1.30 C1=CC(=C(C=C1Cl)C#N)Br 5321 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.30 C1=CC(=C(C=C1Cl)C#N)F 6250 [0,1,0,0,0,0|3,0,0]=4 174 B10R1.30 C1=CC(=C(C=C1Cl)C=O)Br 10177 [0,1,0,0,0,0|3,0,0]=4 175 B10R1.30 C1=CC(=C(C=C1Cl)C=O)O 6718 [0,1,0,0,0,0|2,1,0]=4 176 B10R1.30 C1=CC(=C(C=C1Cl)CN)F 9760 [0,1,0,0,0,0|3,0,0]=4 177 B10R1.30 C1=CC(=C(C=C1F)C#N)Br 6487 [0,1,0,0,0,0|3,0,0]=4 178 B10R1.30 C1=CC(=C(C=C1F)C#N)F 9298 [0,1,0,0,0,0|3,0,0]=4 179 B10R1.30 C1=CC(=C(C=C1F)C=O)O 10080 [0,1,0,0,0,0|2,1,0]=4 180 B10R1.30 C1=CC(=C(C=C1F)CBr)Br 9632 [0,1,0,0,0,0|3,0,0]=4 181 B10R1.30 C1=CC(=C(C=C1F)CBr)F 8216 [0,1,0,0,0,0|3,0,0]=4 182 B10R1.30 C1=CC(=C(C=C1F)CCl)F 9199 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.30 C1=CC(=C(C=C1F)CN)F 6209 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.30 C1=CC(=C(C=C1F)CO)Br 8036 [0,1,0,0,0,0|3,0,0]=4 185 B10R1.30 C1=CC(=C(C=C1F)CO)F 6070 [0,1,0,0,0,0|3,0,0]=4 186 B10R1.30 C1=CC(=C(C=C1I)C=O)F 9372 [0,1,0,0,0,0|3,0,0]=4 187 B10R1.30 C1=CC(=C(C=C1N)C#N)F 5450 [0,1,0,0,0,0|3,0,0]=4 188 B10R1.30 C1=CC(=C(C=C1O)C=O)Br 8805 [0,1,0,0,0,0|3,0,0]=4 189 B10R1.30 CC1=C(C=C(C=C1)Cl)CN 6534 [0,1,0,0,0,0|3,0,0]=4 190 B10R1.30 CC1=C(C=C(C=C1)F)CBr 8570 [0,1,0,0,0,0|3,0,0]=4 191 B10R1.30 CC1=C(C=C(C=C1)N)C#N 9614 [0,1,0,0,0,0|3,0,0]=4 192 B10R1.30 CC1=CC(=C(C=C1)C)C#N 6545 [0,1,0,0,0,0|3,0,0]=4 193 B10R1.30 CC1=CC(=C(C=C1)F)C#N 6447 [0,1,0,0,0,0|3,0,0]=4 194 B10R1.30 COC1=C(C=CC(=C1)Br)Cl 9742 [0,1,0,0,0,0|1,0,0]=2 195 B10R1.30 COC1=C(C=CC(=C1)Br)F 5237 [0,1,0,0,0,0|1,0,0]=2 196 B10R1.30 COC1=C(C=CC(=C1)Br)N 5264 [0,1,0,0,0,0|1,0,0]=2 197 B10R1.30 COC1=C(C=CC(=C1)Br)O 6868 [0,1,0,0,0,0|0,1,0]=2 198 B10R1.30 COC1=C(C=CC(=C1)F)F 8359 [0,1,0,0,0,0|1,0,0]=2 199 B10R1.30 c1cc(c(cc1F)CBr)Cl C0029 [0,1,0,0,0,0|3,0,0]=4 200 B10R1.61 B(C1=CC=CC=C1Br)(O)O 10442 [0,1,0,0,0,0|3,0,0]=4 201 B10R1.61 B(C1=CC=CC=C1C)(O)O 5424 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.61 B(C1=CC=CC=C1Cl)(O)O 6452 [0,1,0,0,0,0|3,0,0]=4 203 B10R1.61 B(C1=CC=CC=C1F)(O)O 6401 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.61 B(C1=CC=CC=C1F)(O)O 9224 [0,1,0,0,0,0|3,0,0]=4 205 B10R1.61 C1=CC=C(C(=C1)C(=O)N)F 6116 [0,1,0,0,0,0|3,0,0]=4 206 B10R1.61 C1=CC=C(C(=C1)C(=O)O)F 10438 [0,1,0,0,0,0|3,0,0]=4 207 B10R1.61 C1=CC=C(C(=C1)C(=O)O)F 5361 [0,1,0,0,0,0|3,0,0]=4 208 B10R1.61 C1=CC=C(C(=C1)C(=O)O)I 10195 [0,1,0,0,0,0|3,0,0]=4 209 B10R1.61 C1=CC=C(C(=C1)C(=S)N)I 9519 [0,1,0,0,0,0|3,0,0]=4 210 B10R1.61 C1=CC=C(C(=C1)C(F)F)Br 6596 [0,1,0,0,0,0|3,0,0]=4 211 B10R1.61 CC(=O)C1=C(N=CC=C1)Cl 10697 [0,1,0,0,0,0|3,0,0]=4 212 B10R1.61 CC(=O)C1=CC=CC=C1Cl 6154 [0,1,0,0,0,0|2,0,0]=3 213 B10R1.61 CC(=O)C1=CC=CC=C1F 5580 [0,1,0,0,0,0|2,0,0]=3 214 B10R1.61 CC(=O)C1=CC=CC=C1F 6042 [0,1,0,0,0,0|2,0,0]=3 215 B10R1.61 CC(C)C1=CC=CC=C1I 8589 [0,1,0,0,0,0|2,0,0]=3 216 B10R1.61 CC(C)C1=CC=CC=C1N 10439 [0,1,0,0,0,0|2,0,0]=3 217 B10R1.61 CC(c1ccccc1N)O A1015 [0,1,0,0,0,0|2,0,0]=3 218 B10R1.245 C1=CC(=C(C(=C1)Br)C#N)N 10485 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.245 C1=CC(=C(C(=C1)Br)C=O)F 8811 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.245 C1=CC(=C(C(=C1)Cl)C#N)Cl 8090 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.245 C1=CC(=C(C(=C1)Cl)C#N)F 6235 [0,1,0,0,0,0|3,0,0]=4 222 B10R1.245 C1=CC(=C(C(=C1)Cl)C=O)F 8182 [0,1,0,0,0,0|3,0,0]=4 223 B10R1.245 C1=CC(=C(C(=C1)Cl)CBr)F 5354 [0,1,0,0,0,0|3,0,0]=4 224 B10R1.245 C1=CC(=C(C(=C1)Cl)CCl)F 5130 [0,1,0,0,0,0|3,0,0]=4 225 B10R1.245 C1=CC(=C(C(=C1)Cl)CN)F 8913 [0,1,0,0,0,0|3,0,0]=4 226 B10R1.245 C1=CC(=C(C(=C1)F)C#N)F 6071 [0,1,0,0,0,0|3,0,0]=4 227 B10R1.245 C1=CC(=C(C(=C1)F)C#N)N 6171 [0,1,0,0,0,0|3,0,0]=4 228 B10R1.245 C1=CC(=C(C(=C1)F)C#N)O 5655 [0,1,0,0,0,0|2,1,0]=4 229 B10R1.245 C1=CC(=C(C(=C1)F)C=O)F 5392 [0,1,0,0,0,0|3,0,0]=4 230 B10R1.245 C1=CC(=C(C(=C1)F)CBr)F 5163 [0,1,0,0,0,0|3,0,0]=4 231 B10R1.245 C1=CC(=C(C(=C1)F)CN)F 5399 [0,1,0,0,0,0|3,0,0]=4 232 B10R1.245 C1=CC(=C(C(=C1)F)CN)N 10115 [0,1,0,0,0,0|3,0,0]=4 233 B10R1.245 C1=CC(=C(C(=C1)F)CO)F 6072 [0,1,0,0,0,0|3,0,0]=4 234 B10R1.245 C1=CC(=C(C(=C1)I)C#N)F 6301 [0,1,0,0,0,0|3,0,0]=4 235 B10R1.245 CC1=C(C(=CC=C1)C)C=O 8504 [0,1,0,0,0,0|3,0,0]=4 236 B10R1.245 CC1=C(C(=CC=C1)C)CCl 6548 [0,1,0,0,0,0|3,0,0]=4 237 B10R1.245 CC1=C(C(=CC=C1)Cl)C=O 9501 [0,1,0,0,0,0|3,0,0]=4 238 B10R1.245 COC1=C(C=CC=C1Cl)F 5577 [0,1,0,0,0,0|1,0,0]=2 239 B10R1.245 COC1=C(C=CC=C1F)F 10315 [0,1,0,0,0,0|1,0,0]=2 240 B10R2.7 C1=CC=C2C(=C1)C=CO2 9001 [0,0,0,1,0,0|1,0,1]=3 241 B10R2.7 c1ccc2c(c1)CCC2 I009 [0,0,0,1,0,0|2,0,0]=3 242 B10R2.7 c1ccc2c(c1)OCO2 B0143 [0,0,0,1,0,0|0,1,0]=2 243 B7R1.3 C1=CC(=CN=C1)N 9511 [2,0,0,0,0,0|2,0,0]=4 244 B7R1.3 C1=CC(=CN=C1)O 6695 [2,0,0,0,0,0|1,0,0]=3 245 B7R1.3 C1=CC(=CN=C1)O 6696 [2,0,0,0,0,0|1,0,0]=3 246 B7R1.3 C1=CC=C(C=C1)F 5387 [2,0,0,0,0,0|1,0,0]=3 247 B7R1.3 C1=CC=C(C=C1)O 5847 [2,0,0,0,0,0|0,0,0]=2 248 B7R1.3 C1=CC=NC(=C1)Br 6647 [2,0,0,0,0,0|2,0,0]=4 249 B7R1.3 C1=CC=[N+](C=C1)[O-] 9065 [2,0,0,0,0,0|1,0,1]=4 250 B7R1.3 CC1=CN=CC=C1 8633 [2,0,0,0,0,0|1,0,0]=3 251 B7R1.3 c1ccc(cc1)F B0042 [2,0,0,0,0,0|1,0,0]=3 252 B7R1.3 c1ccnc(c1)Br B0025 [2,0,0,0,0,0|2,0,0]=4 253 B9R1.1 C#CC1=CC=C(C=C1)F 10155 [1,1,0,0,0,0|1,0,1]=4 254 B9R1.1 C1=CC(=CC=C1C#N)Br 10589 [1,1,0,0,0,0|2,0,0]=4 255 B9R1.1 C1=CC(=CC=C1C#N)Cl 5712 [1,1,0,0,0,0|2,0,0]=4 256 B9R1.1 C1=CC(=CC=C1C#N)F 10581 [1,1,0,0,0,0|2,0,0]=4 257 B9R1.1 C1=CC(=CC=C1C#N)F 6090 [1,1,0,0,0,0|2,0,0]=4 258 B9R1.1 C1=CC(=CC=C1C#N)N 5665 [1,1,0,0,0,0|2,0,0]=4 259 B9R1.1 C1=CC(=CC=C1C=O)F 6034 [1,1,0,0,0,0|2,0,0]=4 260 B9R1.1 C1=CC(=CC=C1C=O)I 5018 [1,1,0,0,0,0|2,0,0]=4 261 B9R1.1 C1=CC(=CC=C1C=O)O 5740 [1,1,0,0,0,0|2,0,0]=4 262 B9R1.1 C1=CC(=CC=C1CBr)Br 10348 [1,1,0,0,0,0|2,0,0]=4 263 B9R1.1 C1=CC(=CC=C1CCl)Cl 6806 [1,1,0,0,0,0|2,0,0]=4 264 B9R1.1 C1=CC(=CC=C1CN)Br 8072 [1,1,0,0,0,0|2,0,0]=4 265 B9R1.1 C1=CC(=CC=C1CN)F 5139 [1,1,0,0,0,0|2,0,0]=4 266 B9R1.1 C1=CC(=CC=C1CN)O 8602 [1,1,0,0,0,0|2,0,0]=4 267 B9R1.1 C1=CC(=CC=C1CS)Cl 6134 [1,1,0,0,0,0|2,0,0]=4 268 B9R1.1 C1=CC(=CC=C1NN)Br 5240 [1,1,0,0,0,0|2,0,0]=4 269 B9R1.1 C1=CC(=CC=C1NN)Cl 10440 [1,1,0,0,0,0|2,0,0]=4 270 B9R1.1 C1=CC(=CC=C1NN)F 5594 [1,1,0,0,0,0|2,0,0]=4 271 B9R1.1 C=CC1=CC=C(C=C1)N 6013 [1,1,0,0,0,0|1,0,1]=4 272 B9R1.1 CC1=CC=C(C=C1)C#N 6644 [1,1,0,0,0,0|2,0,0]=4 273 B9R1.1 CC1=CC=C(C=C1)CBr 9734 [1,1,0,0,0,0|2,0,0]=4 274 B9R1.1 CC1=CC=C(C=C1)CN 9612 [1,1,0,0,0,0|2,0,0]=4 275 B9R1.1 COC1=CC=C(C=C1)Br 6813 [1,1,0,0,0,0|0,0,0]=2 276 B9R1.1 COC1=CC=C(C=C1)F 5383 [1,1,0,0,0,0|0,0,0]=2 277 B9R1.1 COC1=CC=C(C=C1)N 8631 [1,1,0,0,0,0|0,0,0]=2 278 B9R1.1 COC1=CC=C(C=C1)S 8726 [1,1,0,0,0,0|0,0,0]=2 279 B9R1.1 COC1=NC=C(C=C1)Br 9358 [1,1,0,0,0,0|1,0,0]=3 280 B9R1.1 COC1=NC=C(C=C1)Br 9555 [1,1,0,0,0,0|1,0,0]=3 281 B9R1.1 COC1=NC=C(C=C1)Cl 9538 [1,1,0,0,0,0|1,0,0]=3 282 B9R1.1 COC1=NC=C(C=C1)N 9999 [1,1,0,0,0,0|1,0,0]=3 283 B9R1.1 CSC1=CC=C(C=C1)F 9086 [1,1,0,0,0,0|0,1,0]=3 284 B9R1.2 C1=CC(=CC(=C1)Br)C=O 8210 [1,1,0,0,0,0|2,0,0]=4 285 B9R1.2 C1=CC(=CC(=C1)Br)CN 9996 [1,1,0,0,0,0|2,0,0]=4 286 B9R1.2 C1=CC(=CC(=C1)Br)NN 10008 [1,1,0,0,0,0|2,0,0]=4 287 B9R1.2 C1=CC(=CC(=C1)Cl)NN 9850 [1,1,0,0,0,0|2,0,0]=4 288 B9R1.2 C1=CC(=CC(=C1)F)C#N 8577 [1,1,0,0,0,0|2,0,0]=4 289 B9R1.2 C1=CC(=CC(=C1)F)C=O 9272 [1,1,0,0,0,0|2,0,0]=4 290 B9R1.2 C1=CC(=CC(=C1)F)CO 6086 [1,1,0,0,0,0|2,0,0]=4 291 B9R1.2 C1=CC(=CC(=C1)F)NN 5986 [1,1,0,0,0,0|2,0,0]=4 292 B9R1.2 C1=CC(=CC(=C1)I)C#N 9764 [1,1,0,0,0,0|2,0,0]=4 293 B9R1.2 C1=CC(=CC(=C1)I)C=O 9442 [1,1,0,0,0,0|2,0,0]=4 294 B9R1.2 C1=CC(=CC(=C1)N)C#N 6460 [1,1,0,0,0,0|2,0,0]=4 295 B9R1.2 CC1=CC(=CC=C1)CBr 8441 [1,1,0,0,0,0|2,0,0]=4 296 B9R1.2 CC1=CC=CC(=C1)C=O 8187 [1,1,0,0,0,0|2,0,0]=4 297 B9R1.2 COC1=CC(=CC=C1)F 5384 [1,1,0,0,0,0|0,0,0]=2 298 B9R1.2 COC1=CC(=CC=C1)S 5358 [1,1,0,0,0,0|0,0,0]=2 299 B9R1.2 COC1=CC(=CN=C1)Br 10627 [1,1,0,0,0,0|1,0,0]=3 300 B9R1.2 COC1=CC(=CN=C1)Br 5648 [1,1,0,0,0,0|1,0,0]=3 301 B9R1.2 COC1=CC=CC(=C1)N 9172 [1,1,0,0,0,0|0,0,0]=2 302 B9R1.2 COC1=NC(=CC=C1)Br 6692 [1,1,0,0,0,0|1,0,0]=3 303 B9R1.2 COC1=NC(=CC=C1)Cl 8886 [1,1,0,0,0,0|1,0,0]=3 304 B9R1.2 COC1=NC(=NC=C1)Cl 8785 [1,1,0,0,0,0|2,0,0]=4 305 B9R1.2 COc1cccc(c1)Br B0420 [1,1,0,0,0,0|0,0,0]=2 306 B9R1.2 COc1cccc(c1)Cl C0028 [1,1,0,0,0,0|0,0,0]=2 307 B9R1.2 CSC1=CC(=CC=C1)Cl 5596 [1,1,0,0,0,0|0,1,0]=3 308 B9R1.2 CSC1=CC=CC(=C1)F 9504 [1,1,0,0,0,0|0,1,0]=3 309 B9R1.2 CSC1=CC=CC(=C1)N 6516 [1,1,0,0,0,0|0,1,0]=3 310 B9R1.6 C1=CC=C(C=C1)C(=O)O 9205 [1,1,0,0,0,0|2,0,0]=4 311 B9R1.6 C1=CC=C(C=C1)C(=S)N 5715 [1,1,0,0,0,0|2,0,0]=4 312 B9R1.6 C1=CC=C(C=C1)P(=O)O 5787 [1,1,0,0,0,0|2,0,0]=4 313 B9R1.6 C1=CC=C(C=C1)S(=O)O 5284 [1,1,0,0,0,0|1,1,0]=4 314 B9R1.6 CC(C1=CC=NC=C1)O 9776 [1,1,0,0,0,0|2,0,0]=4 315 B9R1.6 CN(C)C1=CC=NC=C1 5603 [1,1,0,0,0,0|2,0,0]=4 316 B9R1.6 CN(C)c1ccncc1 D0718 [1,1,0,0,0,0|2,0,0]=4 317 B9R1.8 C1=CC=C(C=C1)CCBr 10001 [1,1,0,0,0,0|1,0,0]=3 318 B9R1.8 C1=CC=C(C=C1)CCBr 6001 [1,1,0,0,0,0|1,0,0]=3 319 B9R1.8 C1=CC=C(C=C1)CON 10183 [1,1,0,0,0,0|1,0,0]=3 320 B9R1.8 C1=CC=C(C=C1)[Se]C#N 6236 [1,1,0,0,0,0|0,1,1]=4 321 B9R1.8 C1=CC=NC(=C1)CCN 5251 [1,1,0,0,0,0|2,0,0]=4 322 B9R1.8 C1=CC=NC(=C1)CCO 9142 [1,1,0,0,0,0|2,0,0]=4 323 B9R1.8 CCCC1=CC=NC=C1 8669 [1,1,0,0,0,0|2,0,0]=4 324 B9R1.8 c1cnccc1CCN A0195 [1,1,0,0,0,0|2,0,0]=4 325 B9R1.8 c1cnccc1CCN P0148 [1,1,0,0,0,0|2,0,0]=4 326 B9R1.3 C1=CC(=C(C(=C1)Br)Cl)F 5658 [1,1,0,0,0,0|2,0,0]=4 327 B9R1.3 C1=CC(=C(C(=C1)Br)F)Cl 5208 [1,1,0,0,0,0|2,0,0]=4 328 B9R1.3 C1=CC(=C(C(=C1)Br)F)F 5097 [1,1,0,0,0,0|2,0,0]=4 329 B9R1.3 C1=CC(=C(C(=C1)Br)I)Cl B0109 [1,1,0,0,0,0|2,0,0]=4 330 B9R1.3 C1=CC(=C(C(=C1)Br)N)F 8782 [1,1,0,0,0,0|2,0,0]=4 331 B9R1.3 C1=CC(=C(C(=C1)Cl)Cl)F 8207 [1,1,0,0,0,0|2,0,0]=4 332 B9R1.3 C1=CC(=C(C(=C1)Cl)Cl)S 5293 [1,1,0,0,0,0|1,0,0]=3 333 B9R1.3 C1=CC(=C(C(=C1)Cl)F)Cl 6165 [1,1,0,0,0,0|2,0,0]=4 334 B9R1.3 C1=CC(=C(C(=C1)Cl)F)N 5333 [1,1,0,0,0,0|2,0,0]=4 335 B9R1.3 C1=CC(=C(C(=C1)Cl)F)N 6188 [1,1,0,0,0,0|2,0,0]=4 336 B9R1.3 C1=CC(=C(C(=C1)Cl)F)O 5115 [1,1,0,0,0,0|1,0,0]=3 337 B9R1.3 C1=CC(=C(C(=C1)Cl)N)Cl 5390 [1,1,0,0,0,0|2,0,0]=4 338 B9R1.3 C1=CC(=C(C(=C1)Cl)O)F 5578 [1,1,0,0,0,0|1,0,0]=3 339 B9R1.3 C1=CC(=C(C(=C1)F)Br)F 5329 [1,1,0,0,0,0|2,0,0]=4 340 B9R1.3 C1=CC(=C(C(=C1)F)F)F 9474 [1,1,0,0,0,0|2,0,0]=4 341 B9R1.3 C1=CC(=C(C(=C1)F)F)N 6062 [1,1,0,0,0,0|2,0,0]=4 342 B9R1.3 C1=CC(=C(C(=C1)F)I)F 9527 [1,1,0,0,0,0|2,0,0]=4 343 B9R1.3 C1=CC(=C(C(=C1)F)O)F 5418 [1,1,0,0,0,0|1,0,0]=3 344 B9R1.3 C1=CC(=C(C(=C1)F)O)O 6478 [1,1,0,0,0,0|0,1,0]=3 345 B9R1.3 C1=CC(=C(C(=C1)O)O)O 6821 [1,1,0,0,0,0|0,1,0]=3 346 B9R1.3 CC1=C(C(=CC=C1)Br)F 8654 [1,1,0,0,0,0|1,0,0]=3 347 B9R1.3 CC1=C(C(=CC=C1)C)Br 8575 [1,1,0,0,0,0|1,0,0]=3 348 B9R1.3 CC1=C(C(=CC=C1)C)O 5710 [1,1,0,0,0,0|0,1,0]=3 349 B9R1.3 CC1=C(C(=CC=C1)F)Br 10618 [1,1,0,0,0,0|1,0,0]=3 350 B9R1.3 CC1=C(C(=CC=C1)F)C 6112 [1,1,0,0,0,0|1,0,0]=3 351 B9R1.3 CC1=C(C(=CC=C1)F)F 9232 [1,1,0,0,0,0|1,0,0]=3 352 B9R1.3 CC1=C(C(=CC=C1)N)F 5245 [1,1,0,0,0,0|1,0,0]=3 353 B9R1.3 CC1=C(C(=NC=C1)Cl)N 5231 [1,1,0,0,0,0|2,0,0]=4 354 B9R1.3 CC1=C(C(=O)C=CO1)O 5716 [1,1,0,0,0,0|1,1,0]=4 355 B9R1.3 CC1=C(C=CC=C1Br)Cl 5544 [1,1,0,0,0,0|1,0,0]=3 356 B9R1.3 CC1=C(C=CC=C1Br)F 6229 [1,1,0,0,0,0|1,0,0]=3 357 B9R1.3 CC1=C(C=CC=C1Cl)O 8169 [1,1,0,0,0,0|0,1,0]=3 358 B9R1.3 CC1=C(C=CC=C1F)N 10395 [1,1,0,0,0,0|1,0,0]=3 359 B9R1.3 CC1=C(C=CC=C1F)O 9587 [1,1,0,0,0,0|0,1,0]=3 360 B9R1.3 CC1=C(C=CC=C1I)Cl 8102 [1,1,0,0,0,0|1,0,0]=3 361 B9R1.3 c1cc(c(c(c1)Cl)I)F C0095 [1,1,0,0,0,0|2,0,0]=4 362 B9R1.69 C1=CC(=C(C=C1Br)Br)F 6201 [1,1,0,0,0,0|2,0,0]=4 363 B9R1.69 C1=CC(=C(C=C1Br)Br)N 6160 [1,1,0,0,0,0|2,0,0]=4 364 B9R1.69 C1=CC(=C(C=C1Br)Cl)Cl 5098 [1,1,0,0,0,0|2,0,0]=4 365 B9R1.69 C1=CC(=C(C=C1Br)Cl)F 5541 [1,1,0,0,0,0|2,0,0]=4 366 B9R1.69 C1=CC(=C(C=C1Br)Cl)I 8228 [1,1,0,0,0,0|2,0,0]=4 367 B9R1.69 C1=CC(=C(C=C1Br)F)Br 5609 [1,1,0,0,0,0|2,0,0]=4 368 B9R1.69 C1=CC(=C(C=C1Br)F)Cl 5073 [1,1,0,0,0,0|2,0,0]=4 369 B9R1.69 C1=CC(=C(C=C1Br)F)Cl 6178 [1,1,0,0,0,0|2,0,0]=4 370 B9R1.69 C1=CC(=C(C=C1Br)F)F 6000 [1,1,0,0,0,0|2,0,0]=4 371 B9R1.69 C1=CC(=C(C=C1Br)F)I 5546 [1,1,0,0,0,0|2,0,0]=4 372 B9R1.69 C1=CC(=C(C=C1Br)F)N 5271 [1,1,0,0,0,0|2,0,0]=4 373 B9R1.69 C1=CC(=C(C=C1Br)F)N 5547 [1,1,0,0,0,0|2,0,0]=4 374 B9R1.69 C1=CC(=C(C=C1Br)F)O 5337 [1,1,0,0,0,0|1,0,0]=3 375 B9R1.69 C1=CC(=C(C=C1Br)N)N 5041 [1,1,0,0,0,0|2,0,0]=4 376 B9R1.69 C1=CC(=C(C=C1Br)N)O 8620 [1,1,0,0,0,0|1,0,0]=3 377 B9R1.69 C1=CC(=C(C=C1Cl)Br)F 6484 [1,1,0,0,0,0|2,0,0]=4 378 B9R1.69 C1=CC(=C(C=C1Cl)Br)N 8533 [1,1,0,0,0,0|2,0,0]=4 379 B9R1.69 C1=CC(=C(C=C1Cl)Cl)Br 6522 [1,1,0,0,0,0|2,0,0]=4 380 B9R1.69 C1=CC(=C(C=C1Cl)Cl)F 5400 [1,1,0,0,0,0|2,0,0]=4 381 B9R1.69 C1=CC(=C(C=C1Cl)Cl)S 6151 [1,1,0,0,0,0|1,0,0]=3 382 B9R1.69 C1=CC(=C(C=C1Cl)F)Br 6177 [1,1,0,0,0,0|2,0,0]=4 383 B9R1.69 C1=CC(=C(C=C1Cl)F)I 9921 [1,1,0,0,0,0|2,0,0]=4 384 B9R1.69 C1=CC(=C(C=C1Cl)F)N 5025 [1,1,0,0,0,0|2,0,0]=4 385 B9R1.69 C1=CC(=C(C=C1Cl)F)O 8240 [1,1,0,0,0,0|1,0,0]=3 386 B9R1.69 C1=CC(=C(C=C1Cl)I)N 5011 [1,1,0,0,0,0|2,0,0]=4 387 B9R1.69 C1=CC(=C(C=C1Cl)N)Br 10527 [1,1,0,0,0,0|2,0,0]=4 388 B9R1.69 C1=CC(=C(C=C1Cl)N)F 5788 [1,1,0,0,0,0|2,0,0]=4 389 B9R1.69 C1=CC(=C(C=C1Cl)N)N 10655 [1,1,0,0,0,0|2,0,0]=4 390 B9R1.69 C1=CC(=C(C=C1F)Cl)Br 9301 [1,1,0,0,0,0|2,0,0]=4 391 B9R1.69 C1=CC(=C(C=C1F)Cl)N 6049 [1,1,0,0,0,0|2,0,0]=4 392 B9R1.69 C1=CC(=C(C=C1F)Cl)S 6413 [1,1,0,0,0,0|1,0,0]=3 393 B9R1.69 C1=CC(=C(C=C1F)F)Cl 6187 [1,1,0,0,0,0|2,0,0]=4 394 B9R1.69 C1=CC(=C(C=C1F)F)I 8762 [1,1,0,0,0,0|2,0,0]=4 395 B9R1.69 C1=CC(=C(C=C1F)F)N 5063 [1,1,0,0,0,0|2,0,0]=4 396 B9R1.69 C1=CC(=C(C=C1F)F)O 10593 [1,1,0,0,0,0|1,0,0]=3 397 B9R1.69 C1=CC(=C(C=C1F)I)N 6566 [1,1,0,0,0,0|2,0,0]=4 398 B9R1.69 C1=CC(=C(C=C1F)N)Br 5466 [1,1,0,0,0,0|2,0,0]=4 399 B9R1.69 C1=CC(=C(C=C1F)N)Cl 8573 [1,1,0,0,0,0|2,0,0]=4 400 B9R1.69 C1=CC(=C(C=C1F)N)F 5391 [1,1,0,0,0,0|2,0,0]=4 401 B9R1.69 C1=CC(=C(C=C1F)N)N 8159 [1,1,0,0,0,0|2,0,0]=4 402 B9R1.69 C1=CC(=C(C=C1F)N)O 9491 [1,1,0,0,0,0|1,0,0]=3 403 B9R1.69 C1=CC(=C(C=C1F)O)Br 6182 [1,1,0,0,0,0|1,0,0]=3 404 B9R1.69 C1=CC(=C(C=C1F)O)N 5456 [1,1,0,0,0,0|1,0,0]=3 405 B9R1.69 C1=CC(=C(C=C1I)Cl)Br 9399 [1,1,0,0,0,0|2,0,0]=4 406 B9R1.69 C1=CC(=C(C=C1I)Cl)F 8917 [1,1,0,0,0,0|2,0,0]=4 407 B9R1.69 C1=CC(=C(C=C1I)Cl)N 5567 [1,1,0,0,0,0|2,0,0]=4 408 B9R1.69 C1=CC(=C(C=C1I)F)Br 6412 [1,1,0,0,0,0|2,0,0]=4 409 B9R1.69 C1=CC(=C(C=C1I)F)F 8933 [1,1,0,0,0,0|2,0,0]=4 410 B9R1.69 C1=CC(=C(C=C1I)F)I 8788 [1,1,0,0,0,0|2,0,0]=4 411 B9R1.69 C1=CC(=C(C=C1I)F)N 5568 [1,1,0,0,0,0|2,0,0]=4 412 B9R1.69 C1=CC(=C(C=C1N)Br)Cl 8804 [1,1,0,0,0,0|2,0,0]=4 413 B9R1.69 C1=CC(=C(C=C1N)Br)F 9837 [1,1,0,0,0,0|2,0,0]=4 414 B9R1.69 C1=CC(=C(C=C1N)Cl)Cl 6584 [1,1,0,0,0,0|2,0,0]=4 415 B9R1.69 C1=CC(=C(C=C1N)Cl)F 6046 [1,1,0,0,0,0|2,0,0]=4 416 B9R1.69 C1=CC(=C(C=C1N)Cl)F 9805 [1,1,0,0,0,0|2,0,0]=4 417 B9R1.69 C1=CC(=C(C=C1N)F)F 6033 [1,1,0,0,0,0|2,0,0]=4 418 B9R1.69 C1=CC(=C(C=C1N)F)O 6473 [1,1,0,0,0,0|1,0,0]=3 419 B9R1.69 C1=CC(=C(C=C1O)F)Cl 6195 [1,1,0,0,0,0|2,0,0]=4 420 B9R1.69 C1=CC(=C(C=C1O)F)F 10058 [1,1,0,0,0,0|2,0,0]=4 421 B9R1.69 C1=CC(=C(C=C1O)N)F 8132 [1,1,0,0,0,0|2,0,0]=4 422 B9R1.69 CC1=C(C=C(C=C1)Br)Br 8117 [1,1,0,0,0,0|1,0,0]=3 423 B9R1.69 CC1=C(C=C(C=C1)Br)F 5338 [1,1,0,0,0,0|1,0,0]=3 424 B9R1.69 CC1=C(C=C(C=C1)Br)O 8476 [1,1,0,0,0,0|0,1,0]=3 425 B9R1.69 CC1=C(C=C(C=C1)Cl)Br 10285 [1,1,0,0,0,0|1,0,0]=3 426 B9R1.69 CC1=C(C=C(C=C1)Cl)I 8997 [1,1,0,0,0,0|1,0,0]=3 427 B9R1.69 CC1=C(C=C(C=C1)Cl)S 9802 [1,1,0,0,0,0|0,0,0]=2 428 B9R1.69 CC1=C(C=C(C=C1)F)Br 9373 [1,1,0,0,0,0|1,0,0]=3 429 B9R1.69 CC1=C(C=C(C=C1)F)C 6113 [1,1,0,0,0,0|1,0,0]=3 430 B9R1.69 CC1=C(C=C(C=C1)F)N 6050 [1,1,0,0,0,0|1,0,0]=3 431 B9R1.69 CC1=C(C=C(C=C1)N)F 6047 [1,1,0,0,0,0|1,0,0]=3 432 B9R1.69 CC1=C(C=C(C=C1)N)O 10159 [1,1,0,0,0,0|0,1,0]=3 433 B9R1.69 CC1=C(C=CC(=C1)Br)Br 8391 [1,1,0,0,0,0|1,0,0]=3 434 B9R1.69 CC1=C(C=CC(=C1)Br)Cl 5543 [1,1,0,0,0,0|1,0,0]=3 435 B9R1.69 CC1=C(C=CC(=C1)Br)F 6043 [1,1,0,0,0,0|1,0,0]=3 436 B9R1.69 CC1=C(C=CC(=C1)Br)I 10304 [1,1,0,0,0,0|1,0,0]=3 437 B9R1.69 CC1=C(C=CC(=C1)Br)I 6526 [1,1,0,0,0,0|1,0,0]=3 438 B9R1.69 CC1=C(C=CC(=C1)Br)N 9725 [1,1,0,0,0,0|1,0,0]=3 439 B9R1.69 CC1=C(C=CC(=C1)Br)O 5111 [1,1,0,0,0,0|0,1,0]=3 440 B9R1.69 CC1=C(C=CC(=C1)Cl)Br 9792 [1,1,0,0,0,0|1,0,0]=3 441 B9R1.69 CC1=C(C=CC(=C1)Cl)I 8729 [1,1,0,0,0,0|1,0,0]=3 442 B9R1.69 CC1=C(C=CC(=C1)F)Br 5273 [1,1,0,0,0,0|1,0,0]=3 443 B9R1.69 CC1=C(C=CC(=C1)F)Br 6041 [1,1,0,0,0,0|1,0,0]=3 444 B9R1.69 CC1=C(C=CC(=C1)F)F 5294 [1,1,0,0,0,0|1,0,0]=3 445 B9R1.69 CC1=C(C=CC(=C1)F)F 8711 [1,1,0,0,0,0|1,0,0]=3 446 B9R1.69 CC1=C(C=CC(=C1)F)I 5554 [1,1,0,0,0,0|1,0,0]=3 447 B9R1.69 CC1=C(C=CC(=C1)F)N 5346 [1,1,0,0,0,0|1,0,0]=3 448 B9R1.69 CC1=C(C=CC(=C1)I)F 6231 [1,1,0,0,0,0|1,0,0]=3 449 B9R1.69 CC1=C(C=CC(=C1)I)N 5381 [1,1,0,0,0,0|1,0,0]=3 450 B9R1.69 CC1=C(C=CC(=C1)N)Br 10225 [1,1,0,0,0,0|1,0,0]=3 451 B9R1.69 CC1=C(C=CC(=C1)N)F 5275 [1,1,0,0,0,0|1,0,0]=3 452 B9R1.69 CC1=C(C=CC(=C1)O)Br 10033 [1,1,0,0,0,0|1,0,0]=3 453 B9R1.69 CC1=C(C=CC(=C1)O)F 6307 [1,1,0,0,0,0|1,0,0]=3 454 B9R1.69 CC1=C(C=CC(=C1)O)N 10166 [1,1,0,0,0,0|1,0,0]=3 455 B9R1.69 CC1=C(C=CC(=N1)Br)Br 10157 [1,1,0,0,0,0|2,0,0]=4 456 B9R1.69 CC1=C(C=CC(=N1)Cl)Br 5242 [1,1,0,0,0,0|2,0,0]=4 457 B9R1.69 CC1=C(C=CC(=N1)Cl)F 5081 [1,1,0,0,0,0|2,0,0]=4 458 B9R1.69 CC1=C(C=CC(=N1)Cl)N 10002 [1,1,0,0,0,0|2,0,0]=4 459 B9R1.69 CC1=C(C=CC(=N1)F)Br 5681 [1,1,0,0,0,0|2,0,0]=4 460 B9R1.69 CC1=C(C=CC(=N1)F)N 8257 [1,1,0,0,0,0|2,0,0]=4 461 B9R1.69 CC1=C(C=CC(=N1)N)Br 5101 [1,1,0,0,0,0|2,0,0]=4 462 B9R1.69 CC1=C(C=CC(=N1)N)Cl C2896 [1,1,0,0,0,0|2,0,0]=4 463 B9R1.69 CC1=CC(=C(C=C1)Br)Cl 8156 [1,1,0,0,0,0|2,0,0]=4 464 B9R1.69 CC1=CC(=C(C=C1)Br)F 6101 [1,1,0,0,0,0|2,0,0]=4 465 B9R1.69 CC1=CC(=C(C=C1)C)Br 8829 [1,1,0,0,0,0|1,0,0]=3 466 B9R1.69 CC1=CC(=C(C=C1)C)I 8028 [1,1,0,0,0,0|1,0,0]=3 467 B9R1.69 CC1=CC(=C(C=C1)C)N 5322 [1,1,0,0,0,0|1,0,0]=3 468 B9R1.69 CC1=CC(=C(C=C1)C)O 6763 [1,1,0,0,0,0|0,1,0]=3 469 B9R1.69 CC1=CC(=C(C=C1)Cl)Br 5106 [1,1,0,0,0,0|2,0,0]=4 470 B9R1.69 CC1=CC(=C(C=C1)F)Br 6183 [1,1,0,0,0,0|2,0,0]=4 471 B9R1.69 CC1=CC(=C(C=C1)F)Cl 6423 [1,1,0,0,0,0|2,0,0]=4 472 B9R1.69 CC1=CC(=C(C=C1)F)I 6427 [1,1,0,0,0,0|2,0,0]=4 473 B9R1.69 CC1=CC(=C(C=C1)F)N 6577 [1,1,0,0,0,0|2,0,0]=4 474 B9R1.69 CC1=CC(=C(C=C1)F)O 5573 [1,1,0,0,0,0|1,0,0]=3 475 B9R1.69 CC1=CC(=C(C=C1)I)Br 5051 [1,1,0,0,0,0|2,0,0]=4 476 B9R1.69 CC1=CC(=C(C=C1)I)C 9318 [1,1,0,0,0,0|1,0,0]=3 477 B9R1.69 CC1=CC(=C(C=C1)N)F 6048 [1,1,0,0,0,0|2,0,0]=4 478 B9R1.69 CC1=CC(=C(C=C1)N)N 6659 [1,1,0,0,0,0|2,0,0]=4 479 B9R1.69 CC1=CC(=C(C=C1)O)Cl 10579 [1,1,0,0,0,0|1,0,0]=3 480 B9R1.69 CC1=CC(=C(C=C1)O)N 8098 [1,1,0,0,0,0|1,0,0]=3 481 B9R1.69 CC1=CC(=CN=C1Br)Br 5235 [1,1,0,0,0,0|2,0,0]=4 482 B9R1.69 CC1=CC(=CN=C1Cl)N 9387 [1,1,0,0,0,0|2,0,0]=4 483 B9R1.69 CC1=CC(=CN=C1F)Br 5236 [1,1,0,0,0,0|2,0,0]=4 484 B9R1.69 CC1=CC(=CN=C1N)Br 5024 [1,1,0,0,0,0|2,0,0]=4 485 B9R1.69 CC1=CC(=CN=C1N)I 6628 [1,1,0,0,0,0|2,0,0]=4 486 B9R1.69 CC1=CC(=NC=C1Br)Br 8455 [1,1,0,0,0,0|2,0,0]=4 487 B9R1.69 CC1=NC(=C(C=C1)Br)C 6834 [1,1,0,0,0,0|2,0,0]=4 488 B9R1.69 Cc1ccc(c(c1)O)N A0481 [1,1,0,0,0,0|1,0,0]=3 489 B9R1.69 c1cc(c(cc1Cl)N)N C0263 [1,1,0,0,0,0|2,0,0]=4 490 B11R1.72 CC1=C(C(=C(C=C1)F)OC)Cl 8179 [0,2,0,0,0,0|1,0,0]=3 491 B11R1.159 CC(=O)C1=C(C(=CC=C1)F)F 9780 [0,2,0,0,0,0|2,0,0]=4 492 B11R1.159 CC(=O)C1=C(C(=CC=C1)N)O 6667 [0,2,0,0,0,0|1,1,0]=4 493 B11R1.265 COC1=C(C(=CC=C1)F)C#N 6305 [0,2,0,0,0,0|1,0,0]=3 494 B11R1.265 COC1=C(C(=CC=C1)F)C=O 9347 [0,2,0,0,0,0|0,1,0]=3 495 B11R1.278 CC1=C(C(=C(C=C1)OC)F)F 6272 [0,2,0,0,0,0|1,0,0]=3 496 B11R1.17 C1=CC=C(C(=C1)OCC#N)Cl 10416 [0,2,0,0,0,0|1,0,0]=3 497 B11R1.41 CCOC1=CC=CC=C1C#N 6552 [0,2,0,0,0,0|1,0,0]=3 498 B11R1.86 C1=CC=C(C(=C1)OC(F)F)Br 6212 [0,2,0,0,0,0|1,0,0]=3 499 B11R1.222 C1=CC=C(C(=C1)C(=O)CBr)F 8148 [0,2,0,0,0,0|2,0,0]=4 500 B11R1.222 CNC(=O)C1=CC=CC=C1N 8920 [0,2,0,0,0,0|2,0,0]=4 501 B11R1.222 COC(=O)C1=C(C=CN=C1)N 10408 [0,2,0,0,0,0|2,0,0]=4 502 B11R1.222 COC(=O)C1=C(C=NC=C1)Br 10681 [0,2,0,0,0,0|2,0,0]=4 503 B11R1.222 COC(=O)C1=C(N=CC=C1)Cl 6783 [0,2,0,0,0,0|2,0,0]=4 504 B11R1.222 COC(=O)C1=CC=CC=C1F 6341 [0,2,0,0,0,0|1,0,0]=3 505 B11R1.605 C1=CC(=C(C(=C1)Cl)CCN)Cl 9888 [0,2,0,0,0,0|2,0,0]=4 506 B11R1.37 COC1=C(C=C(C=C1)Br)OC 6005 [0,2,0,0,0,0|0,1,0]=3 507 B11R1.37 COC1=C(C=C(C=C1)N)OC 6610 [0,2,0,0,0,0|0,1,0]=3 508 B11R1.37 COC1=C(C=CC(=C1)O)C=O 5482 [0,2,0,0,0,0|0,1,0]=3 509 B11R1.53 CC(C1=CC=CC=C1OC)O 9994 [0,2,0,0,0,0|0,1,0]=3 510 B11R1.53 COC1=C(N=CC=C1)[N+](=O)[O-] 10550 [0,2,0,0,0,0|1,1,0]=4 511 B11R1.53 CSC1=CC=CC=C1C(=O)O 9495 [0,2,0,0,0,0|0,2,0]=4 512 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)F 10081 [0,2,0,0,0,0|2,0,0]=4 513 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)O 9883 [0,2,0,0,0,0|1,1,0]=4 514 B11R1.277 COC1=CC(=C(C=C1F)Br)F 9221 [0,2,0,0,0,0|1,0,0]=3 515 B11R1.277 COC1=NC(=C(C=C1F)F)F 9345 [0,2,0,0,0,0|2,0,0]=4 516 B11R1.279 COC1=C(C=C(C=C1)C#N)F 8483 [0,2,0,0,0,0|1,0,0]=3 517 B11R1.279 COC1=C(C=C(C=C1)CBr)F 6494 [0,2,0,0,0,0|1,0,0]=3 518 B11R1.279 COC1=CC(=C(C=C1)OC)Br 5967 [0,2,0,0,0,0|1,0,0]=3 519 B11R1.279 COC1=CC(=C(C=C1)OC)N 8812 [0,2,0,0,0,0|1,0,0]=3 520 B11R1.464 COC1=C(C=C(C=C1Br)F)F 6485 [0,2,0,0,0,0|1,0,0]=3 521 B11R1.464 COC1=C(C=C(C=C1F)Br)F 5533 [0,2,0,0,0,0|1,0,0]=3 522 B11R1.464 COC1=C(C=C(C=C1F)F)F 8305 [0,2,0,0,0,0|1,0,0]=3 523 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)F 10631 [0,2,0,0,0,0|2,0,0]=4 524 B11R1.167 CC(=O)C1=C(C=CC(=C1)Cl)Cl 8109 [0,2,0,0,0,0|2,0,0]=4 525 B11R1.167 CC(=O)C1=C(C=CC(=C1)F)Cl 9377 [0,2,0,0,0,0|2,0,0]=4 526 B11R1.167 CC(=O)C1=C(C=CC(=C1)F)F 5604 [0,2,0,0,0,0|2,0,0]=4 527 B11R1.167 CC(=O)C1=C(C=CC(=C1)O)O 10507 [0,2,0,0,0,0|1,1,0]=4 528 B11R1.280 COC1=C(C=CC(=C1)C#N)F 5125 [0,2,0,0,0,0|1,0,0]=3 529 B11R1.280 COC1=C(C=CC(=C1)C=O)F 6470 [0,2,0,0,0,0|1,0,0]=3 530 B11R1.280 COC1=CC(=C(C=C1)I)OC 8019 [0,2,0,0,0,0|1,0,0]=3 531 B11R1.280 COC1=CC(=C(C=C1)S)OC 10443 [0,2,0,0,0,0|0,0,0]=2 532 B11R1.87 C1=CC=C(C(=C1)C(F)(F)F)S 6374 [0,2,0,0,0,0|2,0,0]=4 533 B11R1.156 CC(=O)C1=C(C=CC=C1Cl)F 5981 [0,2,0,0,0,0|2,0,0]=4 534 B11R1.156 CC(=O)C1=C(C=CC=C1F)F 5605 [0,2,0,0,0,0|2,0,0]=4 535 B11R1.156 CC(=O)C1=C(C=CC=C1O)O 6860 [0,2,0,0,0,0|1,1,0]=4 536 B9R1.11 CCC(=O)C1=CC=CS1 10053 [0,0,1,1,0,0|2,0,0]=4 537 B11R2.10 C1=CC=C2C(=C1)NC(=O)O2 9606 [0,1,0,1,0,0|1,0,1]=4 538 B11R2.10 C1=CC=C2C(=C1)NC(=O)S2 8011 [0,1,0,1,0,0|1,0,1]=4 539 B11R2.10 CC1=CC2=CC=CC=C2N1 6155 [0,1,0,1,0,0|2,0,0]=4 540 B11R2.20 C1CCC2=CC=CC=C2C1 5836 [0,1,0,1,0,0|2,0,0]=4 541 B11R2.20 C1CNCC2=CC=CC=C21 8407 [0,1,0,1,0,0|2,0,0]=4 542 B11R2.36 C1CNC2=C1C=C(C=C2)Cl 9578 [0,1,0,1,0,0|2,0,0]=4 543 B11R2.36 C1OC2=C(O1)C=C(C=C2)N 9966 [0,1,0,1,0,0|0,1,0]=3 544 B11R2.36 c1cc2c(cc1F)CCN2 F1286 [0,1,0,1,0,0|2,0,0]=4 545 B7R1.4 CC1=C(SC=C1)Br 5664 [1,0,0,0,1,0|2,0,0]=4