0 B10R1.25 C1=CC(=C(C=C1Br)Cl)C#N 8523 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.25 C1=CC(=C(C=C1Br)F)C#N 5335 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.25 C1=CC(=C(C=C1Br)F)CBr 6181 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.25 C1=CC(=C(C=C1Br)F)CN 8039 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.25 C1=CC(=C(C=C1Br)N)C#N 10495 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.25 C1=CC(=C(C=C1Br)O)C#N 8623 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.25 C1=CC(=C(C=C1Cl)Br)C#N 9719 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.25 C1=CC(=C(C=C1Cl)Cl)NN 9013 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.25 C1=CC(=C(C=C1Cl)F)CBr 5211 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.25 C1=CC(=C(C=C1Cl)F)CO 9790 [0,0,0,0,0,0|2,0,2]=4 10 B10R1.25 C1=CC(=C(C=C1Cl)F)NN 5309 [0,0,0,0,0,0|4,0,0]=4 11 B10R1.25 C1=CC(=C(C=C1F)Br)C=O 5308 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.25 C1=CC(=C(C=C1F)Cl)C#N 8906 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.25 C1=CC(=C(C=C1F)Cl)C#N 9254 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.25 C1=CC(=C(C=C1F)Cl)CN 6194 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.25 C1=CC(=C(C=C1F)F)C#N 5162 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.25 C1=CC(=C(C=C1F)F)C=O 8215 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.25 C1=CC(=C(C=C1F)F)CBr 10356 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.25 C1=CC(=C(C=C1F)F)CCl 10529 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.25 C1=CC(=C(C=C1F)F)CN 5064 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.25 C1=CC(=C(C=C1F)F)CO 5619 [0,0,0,0,0,0|2,0,2]=4 21 B10R1.25 C1=CC(=C(C=C1F)F)NN 5631 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.25 C1=CC(=C(C=C1N)Br)C#N 10552 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.25 C1=CC(=C(C=C1N)Cl)C#N 5725 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.25 C1=CC(=C(C=C1N)F)C#N 8878 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.25 C1=CC(=C(C=C1O)F)C#N 5126 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.25 C1=CC(=C(C=C1O)O)C=O 10275 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.25 C1=CC(=NC(=C1C=O)Cl)Cl 10651 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.25 CC1=C(C=CC(=C1)Br)C#N 9732 [0,0,0,0,0,0|2,0,1]=3 29 B10R1.25 CC1=C(C=CC(=C1)Br)C=O 9443 [0,0,0,0,0,0|1,0,0]=1 30 B10R1.25 CC1=C(C=CC(=C1)F)C#N 8797 [0,0,0,0,0,0|2,0,1]=3 31 B10R1.25 CC1=CC(=C(C=C1)C#N)F 6654 [0,0,0,0,0,0|2,0,1]=3 32 B10R1.25 CC1=CC(=C(C=C1)OC)I 6862 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.25 COC1=C(C=C(C=C1)Br)O 6683 [0,0,0,0,0,0|4,0,0]=4 34 B10R1.25 COC1=C(C=C(C=C1)Cl)Br 6521 [0,0,0,0,0,0|4,0,0]=4 35 B10R1.25 COC1=C(C=C(C=C1)Cl)I 6532 [0,0,0,0,0,0|4,0,0]=4 36 B10R1.25 COC1=C(C=C(C=C1)F)Br 6127 [0,0,0,0,0,0|4,0,0]=4 37 B10R1.25 COC1=C(C=C(C=C1)F)Cl 9547 [0,0,0,0,0,0|4,0,0]=4 38 B10R1.25 COC1=C(C=C(C=C1)F)F 5613 [0,0,0,0,0,0|4,0,0]=4 39 B10R1.25 COC1=C(C=C(C=C1)F)O 6489 [0,0,0,0,0,0|4,0,0]=4 40 B10R1.25 COC1=C(C=C(C=C1)N)Br 9331 [0,0,0,0,0,0|4,0,0]=4 41 B10R1.25 COC1=C(C=C(C=C1)N)F 5654 [0,0,0,0,0,0|4,0,0]=4 42 B10R1.25 COC1=C(C=C(C=C1)N)I 10230 [0,0,0,0,0,0|4,0,0]=4 43 B10R1.25 Cc1cc(ccc1CN)F F0029 [0,0,0,0,0,0|2,0,1]=3 44 B10R1.25 c1cc(c(cc1F)F)C=O D0156 [0,0,0,0,0,0|2,0,0]=2 45 B9R1.1 C#CC1=CC=C(C=C1)F 10155 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.1 C1=CC(=CC=C1C#N)Br 10589 [1,0,0,0,0,0|2,0,1]=4 47 B9R1.1 C1=CC(=CC=C1C#N)Cl 5712 [1,0,0,0,0,0|2,0,1]=4 48 B9R1.1 C1=CC(=CC=C1C#N)F 10581 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.1 C1=CC(=CC=C1C#N)F 6090 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.1 C1=CC(=CC=C1C#N)N 5665 [1,0,0,0,0,0|2,0,1]=4 51 B9R1.1 C1=CC(=CC=C1C=O)F 6034 [1,0,0,0,0,0|1,0,0]=2 52 B9R1.1 C1=CC(=CC=C1C=O)I 5018 [1,0,0,0,0,0|1,0,0]=2 53 B9R1.1 C1=CC(=CC=C1C=O)O 5740 [1,0,0,0,0,0|1,0,0]=2 54 B9R1.1 C1=CC(=CC=C1CBr)Br 10348 [1,0,0,0,0,0|2,0,1]=4 55 B9R1.1 C1=CC(=CC=C1CCl)Cl 6806 [1,0,0,0,0,0|2,0,1]=4 56 B9R1.1 C1=CC(=CC=C1CN)Br 8072 [1,0,0,0,0,0|2,0,1]=4 57 B9R1.1 C1=CC(=CC=C1CN)F 5139 [1,0,0,0,0,0|2,0,1]=4 58 B9R1.1 C1=CC(=CC=C1CN)O 8602 [1,0,0,0,0,0|2,0,1]=4 59 B9R1.1 C1=CC(=CC=C1CS)Cl 6134 [1,0,0,0,0,0|1,1,1]=4 60 B9R1.1 C1=CC(=CC=C1NN)Br 5240 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.1 C1=CC(=CC=C1NN)Cl 10440 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.1 C1=CC(=CC=C1NN)F 5594 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.1 C1=CC(=NC=C1Br)C=O 5008 [1,0,0,0,0,0|2,0,0]=3 64 B9R1.1 C1=CC(=NC=C1C=O)Cl 5230 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.1 C=CC1=CC=C(C=C1)N 6013 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.1 CC1=CC=C(C=C1)C#N 6644 [1,0,0,0,0,0|1,0,1]=3 67 B9R1.1 CC1=CC=C(C=C1)CBr 9734 [1,0,0,0,0,0|1,0,1]=3 68 B9R1.1 CC1=CC=C(C=C1)CN 9612 [1,0,0,0,0,0|1,0,1]=3 69 B9R1.1 CC1=CN=C(C=C1)C#N 6614 [1,0,0,0,0,0|2,0,1]=4 70 B9R1.1 COC1=CC=C(C=C1)Br 6813 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.1 COC1=CC=C(C=C1)F 5383 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.1 COC1=CC=C(C=C1)N 8631 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.1 COC1=CC=C(C=C1)S 8726 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.1 CSC1=CC=C(C=C1)F 9086 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.15 C1=CC(=C(N=C1)N)C=O 9322 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.15 C1=CC=C(C(=C1)C#N)Br 5156 [1,0,0,0,0,0|2,0,1]=4 77 B9R1.15 C1=CC=C(C(=C1)C#N)F 9273 [1,0,0,0,0,0|2,0,1]=4 78 B9R1.15 C1=CC=C(C(=C1)C#N)F 9465 [1,0,0,0,0,0|2,0,1]=4 79 B9R1.15 C1=CC=C(C(=C1)C#N)I 5184 [1,0,0,0,0,0|2,0,1]=4 80 B9R1.15 C1=CC=C(C(=C1)C#N)N 5222 [1,0,0,0,0,0|2,0,1]=4 81 B9R1.15 C1=CC=C(C(=C1)C#N)O 9517 [1,0,0,0,0,0|2,0,1]=4 82 B9R1.15 C1=CC=C(C(=C1)C=O)O 5096 [1,0,0,0,0,0|1,0,0]=2 83 B9R1.15 C1=CC=C(C(=C1)CBr)F 5007 [1,0,0,0,0,0|2,0,1]=4 84 B9R1.15 C1=CC=C(C(=C1)CBr)F 5138 [1,0,0,0,0,0|2,0,1]=4 85 B9R1.15 C1=CC=C(C(=C1)CN)Br 8860 [1,0,0,0,0,0|2,0,1]=4 86 B9R1.15 C1=CC=C(C(=C1)CN)Cl 9625 [1,0,0,0,0,0|2,0,1]=4 87 B9R1.15 C1=CC=C(C(=C1)CN)F 8921 [1,0,0,0,0,0|2,0,1]=4 88 B9R1.15 C1=CC=C(C(=C1)CO)Cl 5137 [1,0,0,0,0,0|1,0,2]=4 89 B9R1.15 C1=CC=C(C(=C1)CO)F 6299 [1,0,0,0,0,0|1,0,2]=4 90 B9R1.15 C1=CC=C(C(=C1)CO)O 10170 [1,0,0,0,0,0|1,0,2]=4 91 B9R1.15 C1=CC=C(C(=C1)CO)O 8851 [1,0,0,0,0,0|1,0,2]=4 92 B9R1.15 C1=CC=C(C(=C1)NN)F 5985 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.15 CC1=CC=CC=C1CO 6723 [1,0,0,0,0,0|0,0,2]=3 94 B9R1.15 CCC1=CC=CC=C1I 6010 [1,0,0,0,0,0|2,0,1]=4 95 B9R1.15 CCC1=CC=CC=C1S 5060 [1,0,0,0,0,0|2,0,1]=4 96 B9R1.15 COC1=CC=CC=C1Br 6133 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.15 COC1=CC=CC=C1F 6115 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.15 COC1=CC=CC=C1I 9182 [1,0,0,0,0,0|3,0,0]=4 99 B9R1.15 COC1=CC=CC=C1N 6674 [1,0,0,0,0,0|3,0,0]=4 100 B9R1.15 COc1ccccc1Br B0022 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.15 CSC1=CC=CC=C1Br 5058 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.15 CSC1=CC=CC=C1Cl 6157 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.15 CSC1=CC=CC=C1N 8226 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.15 CSC1=CC=CC=C1O 8029 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.15 c1ccc(c(c1)CBr)Cl 8338 [1,0,0,0,0,0|2,0,1]=4 106 B9R1.69 C1=CC(=C(C=C1Br)Br)F 6201 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.69 C1=CC(=C(C=C1Br)Br)N 6160 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.69 C1=CC(=C(C=C1Br)Cl)Cl 5098 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.69 C1=CC(=C(C=C1Br)Cl)F 5541 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.69 C1=CC(=C(C=C1Br)Cl)I 8228 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.69 C1=CC(=C(C=C1Br)F)Br 5609 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.69 C1=CC(=C(C=C1Br)F)Cl 5073 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.69 C1=CC(=C(C=C1Br)F)Cl 6178 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.69 C1=CC(=C(C=C1Br)F)F 6000 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.69 C1=CC(=C(C=C1Br)F)I 5546 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.69 C1=CC(=C(C=C1Br)F)N 5271 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.69 C1=CC(=C(C=C1Br)F)N 5547 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.69 C1=CC(=C(C=C1Br)F)O 5337 [1,0,0,0,0,0|2,0,1]=4 119 B9R1.69 C1=CC(=C(C=C1Br)N)N 5041 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.69 C1=CC(=C(C=C1Br)N)O 8620 [1,0,0,0,0,0|2,0,1]=4 121 B9R1.69 C1=CC(=C(C=C1Cl)Br)F 6484 [1,0,0,0,0,0|3,0,0]=4 122 B9R1.69 C1=CC(=C(C=C1Cl)Br)N 8533 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.69 C1=CC(=C(C=C1Cl)Cl)Br 6522 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.69 C1=CC(=C(C=C1Cl)Cl)F 5400 [1,0,0,0,0,0|3,0,0]=4 125 B9R1.69 C1=CC(=C(C=C1Cl)Cl)S 6151 [1,0,0,0,0,0|2,1,0]=4 126 B9R1.69 C1=CC(=C(C=C1Cl)F)Br 6177 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.69 C1=CC(=C(C=C1Cl)F)I 9921 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.69 C1=CC(=C(C=C1Cl)F)N 5025 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.69 C1=CC(=C(C=C1Cl)F)O 8240 [1,0,0,0,0,0|2,0,1]=4 130 B9R1.69 C1=CC(=C(C=C1Cl)I)N 5011 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.69 C1=CC(=C(C=C1Cl)N)Br 10527 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.69 C1=CC(=C(C=C1Cl)N)F 5788 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.69 C1=CC(=C(C=C1Cl)N)N 10655 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.69 C1=CC(=C(C=C1F)Cl)Br 9301 [1,0,0,0,0,0|3,0,0]=4 135 B9R1.69 C1=CC(=C(C=C1F)Cl)N 6049 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.69 C1=CC(=C(C=C1F)Cl)S 6413 [1,0,0,0,0,0|2,1,0]=4 137 B9R1.69 C1=CC(=C(C=C1F)F)Cl 6187 [1,0,0,0,0,0|3,0,0]=4 138 B9R1.69 C1=CC(=C(C=C1F)F)I 8762 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.69 C1=CC(=C(C=C1F)F)N 5063 [1,0,0,0,0,0|3,0,0]=4 140 B9R1.69 C1=CC(=C(C=C1F)F)O 10593 [1,0,0,0,0,0|2,0,1]=4 141 B9R1.69 C1=CC(=C(C=C1F)I)N 6566 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.69 C1=CC(=C(C=C1F)N)Br 5466 [1,0,0,0,0,0|3,0,0]=4 143 B9R1.69 C1=CC(=C(C=C1F)N)Cl 8573 [1,0,0,0,0,0|3,0,0]=4 144 B9R1.69 C1=CC(=C(C=C1F)N)F 5391 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.69 C1=CC(=C(C=C1F)N)N 8159 [1,0,0,0,0,0|3,0,0]=4 146 B9R1.69 C1=CC(=C(C=C1F)N)O 9491 [1,0,0,0,0,0|2,0,1]=4 147 B9R1.69 C1=CC(=C(C=C1F)O)Br 6182 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.69 C1=CC(=C(C=C1F)O)N 5456 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.69 C1=CC(=C(C=C1I)Cl)Br 9399 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.69 C1=CC(=C(C=C1I)Cl)F 8917 [1,0,0,0,0,0|3,0,0]=4 151 B9R1.69 C1=CC(=C(C=C1I)Cl)N 5567 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.69 C1=CC(=C(C=C1I)F)Br 6412 [1,0,0,0,0,0|3,0,0]=4 153 B9R1.69 C1=CC(=C(C=C1I)F)F 8933 [1,0,0,0,0,0|3,0,0]=4 154 B9R1.69 C1=CC(=C(C=C1I)F)I 8788 [1,0,0,0,0,0|3,0,0]=4 155 B9R1.69 C1=CC(=C(C=C1I)F)N 5568 [1,0,0,0,0,0|3,0,0]=4 156 B9R1.69 C1=CC(=C(C=C1N)Br)Cl 8804 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.69 C1=CC(=C(C=C1N)Br)F 9837 [1,0,0,0,0,0|3,0,0]=4 158 B9R1.69 C1=CC(=C(C=C1N)Cl)Cl 6584 [1,0,0,0,0,0|3,0,0]=4 159 B9R1.69 C1=CC(=C(C=C1N)Cl)F 6046 [1,0,0,0,0,0|3,0,0]=4 160 B9R1.69 C1=CC(=C(C=C1N)Cl)F 9805 [1,0,0,0,0,0|3,0,0]=4 161 B9R1.69 C1=CC(=C(C=C1N)F)F 6033 [1,0,0,0,0,0|3,0,0]=4 162 B9R1.69 C1=CC(=C(C=C1N)F)O 6473 [1,0,0,0,0,0|2,0,1]=4 163 B9R1.69 C1=CC(=C(C=C1O)F)Cl 6195 [1,0,0,0,0,0|3,0,0]=4 164 B9R1.69 C1=CC(=C(C=C1O)F)F 10058 [1,0,0,0,0,0|3,0,0]=4 165 B9R1.69 C1=CC(=C(C=C1O)N)F 8132 [1,0,0,0,0,0|3,0,0]=4 166 B9R1.69 CC1=C(C=C(C=C1)Br)Br 8117 [1,0,0,0,0,0|2,0,1]=4 167 B9R1.69 CC1=C(C=C(C=C1)Br)F 5338 [1,0,0,0,0,0|2,0,1]=4 168 B9R1.69 CC1=C(C=C(C=C1)Br)O 8476 [1,0,0,0,0,0|2,0,1]=4 169 B9R1.69 CC1=C(C=C(C=C1)Cl)Br 10285 [1,0,0,0,0,0|2,0,1]=4 170 B9R1.69 CC1=C(C=C(C=C1)Cl)I 8997 [1,0,0,0,0,0|2,0,1]=4 171 B9R1.69 CC1=C(C=C(C=C1)Cl)S 9802 [1,0,0,0,0,0|2,0,1]=4 172 B9R1.69 CC1=C(C=C(C=C1)F)Br 9373 [1,0,0,0,0,0|2,0,1]=4 173 B9R1.69 CC1=C(C=C(C=C1)F)C 6113 [1,0,0,0,0,0|1,0,1]=3 174 B9R1.69 CC1=C(C=C(C=C1)F)N 6050 [1,0,0,0,0,0|2,0,1]=4 175 B9R1.69 CC1=C(C=C(C=C1)N)F 6047 [1,0,0,0,0,0|2,0,1]=4 176 B9R1.69 CC1=C(C=C(C=C1)N)O 10159 [1,0,0,0,0,0|2,0,1]=4 177 B9R1.69 CC1=C(C=CC(=C1)Br)Br 8391 [1,0,0,0,0,0|2,0,0]=3 178 B9R1.69 CC1=C(C=CC(=C1)Br)Cl 5543 [1,0,0,0,0,0|2,0,0]=3 179 B9R1.69 CC1=C(C=CC(=C1)Br)F 6043 [1,0,0,0,0,0|2,0,0]=3 180 B9R1.69 CC1=C(C=CC(=C1)Br)I 10304 [1,0,0,0,0,0|2,0,0]=3 181 B9R1.69 CC1=C(C=CC(=C1)Br)I 6526 [1,0,0,0,0,0|2,0,0]=3 182 B9R1.69 CC1=C(C=CC(=C1)Br)N 9725 [1,0,0,0,0,0|2,0,0]=3 183 B9R1.69 CC1=C(C=CC(=C1)Br)O 5111 [1,0,0,0,0,0|1,0,1]=3 184 B9R1.69 CC1=C(C=CC(=C1)Cl)Br 9792 [1,0,0,0,0,0|2,0,0]=3 185 B9R1.69 CC1=C(C=CC(=C1)Cl)I 8729 [1,0,0,0,0,0|2,0,0]=3 186 B9R1.69 CC1=C(C=CC(=C1)F)Br 5273 [1,0,0,0,0,0|2,0,0]=3 187 B9R1.69 CC1=C(C=CC(=C1)F)Br 6041 [1,0,0,0,0,0|2,0,0]=3 188 B9R1.69 CC1=C(C=CC(=C1)F)F 5294 [1,0,0,0,0,0|2,0,0]=3 189 B9R1.69 CC1=C(C=CC(=C1)F)F 8711 [1,0,0,0,0,0|2,0,0]=3 190 B9R1.69 CC1=C(C=CC(=C1)F)I 5554 [1,0,0,0,0,0|2,0,0]=3 191 B9R1.69 CC1=C(C=CC(=C1)F)N 5346 [1,0,0,0,0,0|2,0,0]=3 192 B9R1.69 CC1=C(C=CC(=C1)I)F 6231 [1,0,0,0,0,0|2,0,0]=3 193 B9R1.69 CC1=C(C=CC(=C1)I)N 5381 [1,0,0,0,0,0|2,0,0]=3 194 B9R1.69 CC1=C(C=CC(=C1)N)Br 10225 [1,0,0,0,0,0|2,0,0]=3 195 B9R1.69 CC1=C(C=CC(=C1)N)F 5275 [1,0,0,0,0,0|2,0,0]=3 196 B9R1.69 CC1=C(C=CC(=C1)O)Br 10033 [1,0,0,0,0,0|2,0,0]=3 197 B9R1.69 CC1=C(C=CC(=C1)O)F 6307 [1,0,0,0,0,0|2,0,0]=3 198 B9R1.69 CC1=C(C=CC(=C1)O)N 10166 [1,0,0,0,0,0|2,0,0]=3 199 B9R1.69 CC1=C(C=CC(=N1)Br)Br 10157 [1,0,0,0,0,0|3,0,0]=4 200 B9R1.69 CC1=C(C=CC(=N1)Cl)Br 5242 [1,0,0,0,0,0|3,0,0]=4 201 B9R1.69 CC1=C(C=CC(=N1)Cl)F 5081 [1,0,0,0,0,0|3,0,0]=4 202 B9R1.69 CC1=C(C=CC(=N1)Cl)N 10002 [1,0,0,0,0,0|3,0,0]=4 203 B9R1.69 CC1=C(C=CC(=N1)F)Br 5681 [1,0,0,0,0,0|3,0,0]=4 204 B9R1.69 CC1=C(C=CC(=N1)F)N 8257 [1,0,0,0,0,0|3,0,0]=4 205 B9R1.69 CC1=C(C=CC(=N1)N)Br 5101 [1,0,0,0,0,0|3,0,0]=4 206 B9R1.69 CC1=C(C=CC(=N1)N)Cl C2896 [1,0,0,0,0,0|3,0,0]=4 207 B9R1.69 CC1=CC(=C(C=C1)Br)Cl 8156 [1,0,0,0,0,0|2,0,0]=3 208 B9R1.69 CC1=CC(=C(C=C1)Br)F 6101 [1,0,0,0,0,0|2,0,0]=3 209 B9R1.69 CC1=CC(=C(C=C1)C)Br 8829 [1,0,0,0,0,0|1,0,1]=3 210 B9R1.69 CC1=CC(=C(C=C1)C)I 8028 [1,0,0,0,0,0|1,0,1]=3 211 B9R1.69 CC1=CC(=C(C=C1)C)N 5322 [1,0,0,0,0,0|1,0,1]=3 212 B9R1.69 CC1=CC(=C(C=C1)C)O 6763 [1,0,0,0,0,0|1,0,1]=3 213 B9R1.69 CC1=CC(=C(C=C1)Cl)Br 5106 [1,0,0,0,0,0|2,0,0]=3 214 B9R1.69 CC1=CC(=C(C=C1)F)Br 6183 [1,0,0,0,0,0|2,0,0]=3 215 B9R1.69 CC1=CC(=C(C=C1)F)Cl 6423 [1,0,0,0,0,0|2,0,0]=3 216 B9R1.69 CC1=CC(=C(C=C1)F)I 6427 [1,0,0,0,0,0|2,0,0]=3 217 B9R1.69 CC1=CC(=C(C=C1)F)N 6577 [1,0,0,0,0,0|2,0,0]=3 218 B9R1.69 CC1=CC(=C(C=C1)F)O 5573 [1,0,0,0,0,0|2,0,0]=3 219 B9R1.69 CC1=CC(=C(C=C1)I)Br 5051 [1,0,0,0,0,0|2,0,0]=3 220 B9R1.69 CC1=CC(=C(C=C1)I)C 9318 [1,0,0,0,0,0|1,0,0]=2 221 B9R1.69 CC1=CC(=C(C=C1)N)F 6048 [1,0,0,0,0,0|2,0,0]=3 222 B9R1.69 CC1=CC(=C(C=C1)N)N 6659 [1,0,0,0,0,0|2,0,0]=3 223 B9R1.69 CC1=CC(=C(C=C1)O)Cl 10579 [1,0,0,0,0,0|1,0,1]=3 224 B9R1.69 CC1=CC(=C(C=C1)O)N 8098 [1,0,0,0,0,0|1,0,1]=3 225 B9R1.69 CC1=CC(=C(N=C1)Br)N 8112 [1,0,0,0,0,0|3,0,0]=4 226 B9R1.69 CC1=CC(=C(N=C1)Cl)Br 8055 [1,0,0,0,0,0|3,0,0]=4 227 B9R1.69 CC1=CC(=C(N=C1)Cl)F 10553 [1,0,0,0,0,0|3,0,0]=4 228 B9R1.69 CC1=CC(=C(N=C1)Cl)N 8400 [1,0,0,0,0,0|3,0,0]=4 229 B9R1.69 CC1=CC(=C(N=C1)F)Br 9709 [1,0,0,0,0,0|3,0,0]=4 230 B9R1.69 CC1=CC(=CN=C1Br)Br 5235 [1,0,0,0,0,0|3,0,0]=4 231 B9R1.69 CC1=CC(=CN=C1Cl)N 9387 [1,0,0,0,0,0|3,0,0]=4 232 B9R1.69 CC1=CC(=CN=C1F)Br 5236 [1,0,0,0,0,0|3,0,0]=4 233 B9R1.69 CC1=CC(=CN=C1N)Br 5024 [1,0,0,0,0,0|3,0,0]=4 234 B9R1.69 CC1=CC(=CN=C1N)I 6628 [1,0,0,0,0,0|3,0,0]=4 235 B9R1.69 CC1=CC(=NC=C1Br)Br 8455 [1,0,0,0,0,0|3,0,0]=4 236 B9R1.69 CC1=NC(=C(C=C1)Br)C 6834 [1,0,0,0,0,0|2,0,0]=3 237 B9R1.69 CC1=NC(=C(C=C1)N)Br 6720 [1,0,0,0,0,0|3,0,0]=4 238 B9R1.69 CC1=NC(=C(C=C1)N)Cl 8825 [1,0,0,0,0,0|3,0,0]=4 239 B9R1.69 Cc1ccc(c(c1)O)N A0481 [1,0,0,0,0,0|2,0,0]=3 240 B9R1.69 c1cc(c(cc1Cl)N)N C0263 [1,0,0,0,0,0|3,0,0]=4 241 B11R1.37 COC1=C(C=C(C=C1)Br)OC 6005 [0,1,0,0,0,0|3,0,0]=4 242 B11R1.37 COC1=C(C=C(C=C1)N)OC 6610 [0,1,0,0,0,0|3,0,0]=4 243 B11R1.37 COC1=C(C=CC(=C1)O)C=O 5482 [0,1,0,0,0,0|1,0,0]=2 244 B11R1.81 CC1=C(C=CC(=C1)Cl)N=C=O 9627 [0,1,0,0,0,0|1,0,1]=3 245 B11R1.166 C1=C(C(=CN=C1Cl)C(=O)O)Cl 8416 [0,1,0,0,0,0|3,0,0]=4 246 B11R1.166 C1=C(C(=NC=C1Br)C(=O)O)Cl 9803 [0,1,0,0,0,0|3,0,0]=4 247 B11R1.166 C1=C(C=NC(=C1Cl)C(=O)O)Cl 8448 [0,1,0,0,0,0|3,0,0]=4 248 B11R1.166 C1=CC(=C(C=C1Br)Br)C(=O)O 9828 [0,1,0,0,0,0|2,0,0]=3 249 B11R1.166 C1=CC(=C(C=C1Br)Cl)C(=O)O 5684 [0,1,0,0,0,0|2,0,0]=3 250 B11R1.166 C1=CC(=C(C=C1Br)F)C(=O)O 9928 [0,1,0,0,0,0|2,0,0]=3 251 B11R1.166 C1=CC(=C(C=C1Br)F)[N+](=O)[O-] 10103 [0,1,0,0,0,0|3,0,0]=4 252 B11R1.166 C1=CC(=C(C=C1Br)F)[N+](=O)[O-] 6702 [0,1,0,0,0,0|3,0,0]=4 253 B11R1.166 C1=CC(=C(C=C1Cl)Cl)C(=O)O 6787 [0,1,0,0,0,0|2,0,0]=3 254 B11R1.166 C1=CC(=C(C=C1Cl)Cl)[N+](=O)[O-] 6808 [0,1,0,0,0,0|3,0,0]=4 255 B11R1.166 C1=CC(=C(C=C1Cl)F)C(=O)O 6191 [0,1,0,0,0,0|2,0,0]=3 256 B11R1.166 C1=CC(=C(C=C1Cl)F)[N+](=O)[O-] 9293 [0,1,0,0,0,0|3,0,0]=4 257 B11R1.166 C1=CC(=C(C=C1Cl)I)C(=O)O 5553 [0,1,0,0,0,0|2,0,0]=3 258 B11R1.166 C1=CC(=C(C=C1Cl)N)[N+](=O)[O-] 6627 [0,1,0,0,0,0|3,0,0]=4 259 B11R1.166 C1=CC(=C(C=C1Cl)O)C(=O)O 5117 [0,1,0,0,0,0|2,0,0]=3 260 B11R1.166 C1=CC(=C(C=C1F)Br)C(=O)O 6240 [0,1,0,0,0,0|2,0,0]=3 261 B11R1.166 C1=CC(=C(C=C1F)Br)C(=O)O 9681 [0,1,0,0,0,0|2,0,0]=3 262 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)Cl 6193 [0,1,0,0,0,0|2,0,0]=3 263 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)O 5349 [0,1,0,0,0,0|2,0,0]=3 264 B11R1.166 C1=CC(=C(C=C1F)F)C(=O)Cl 6207 [0,1,0,0,0,0|2,0,0]=3 265 B11R1.166 C1=CC(=C(C=C1F)F)C(=O)N 9781 [0,1,0,0,0,0|2,0,0]=3 266 B11R1.166 C1=CC(=C(C=C1F)F)[N+](=O)[O-] 6031 [0,1,0,0,0,0|3,0,0]=4 267 B11R1.166 C1=CC(=C(C=C1F)N)C(=O)O 10307 [0,1,0,0,0,0|2,0,0]=3 268 B11R1.166 C1=CC(=C(C=C1F)O)[N+](=O)[O-] 5234 [0,1,0,0,0,0|3,0,0]=4 269 B11R1.166 C1=CC(=C(C=C1F)O)[N+](=O)[O-] 5557 [0,1,0,0,0,0|3,0,0]=4 270 B11R1.166 C1=CC(=C(C=C1N)Br)[N+](=O)[O-] 10139 [0,1,0,0,0,0|3,0,0]=4 271 B11R1.166 C1=CC(=C(C=C1N)F)C(=O)[O-] 6630 [0,1,0,0,0,0|2,0,0]=3 272 B11R1.166 C1=CC(=C(C=C1N)F)[N+](=O)[O-] 10543 [0,1,0,0,0,0|3,0,0]=4 273 B11R1.166 C1=CC(=C(C=C1N)N)[N+](=O)[O-] 10248 [0,1,0,0,0,0|3,0,0]=4 274 B11R1.166 C1=CC(=C(C=C1N)O)C(=O)O 6786 [0,1,0,0,0,0|2,0,0]=3 275 B11R1.166 C1=CC(=C(C=C1O)Cl)C(=O)O 8738 [0,1,0,0,0,0|2,0,0]=3 276 B11R1.166 C1=CC(=C(C=C1O)F)C(=O)O 5209 [0,1,0,0,0,0|2,0,0]=3 277 B11R1.166 C1=CC(=NC(=C1C(=O)O)Cl)Cl 5307 [0,1,0,0,0,0|3,0,0]=4 278 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)F 10081 [0,1,0,0,0,0|2,0,0]=3 279 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)O 9883 [0,1,0,0,0,0|2,0,0]=3 280 B11R1.166 CC1=C(C=CC(=C1)Br)C(=O)O 10616 [0,1,0,0,0,0|1,0,0]=2 281 B11R1.166 CC1=C(C=CC(=C1)Cl)C(=O)O 5555 [0,1,0,0,0,0|1,0,0]=2 282 B11R1.166 CC1=C(C=CC(=C1)F)[N+](=O)[O-] 6095 [0,1,0,0,0,0|2,0,0]=3 283 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)O 9034 [0,1,0,0,0,0|1,0,0]=2 284 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O 6607 [0,1,0,0,0,0|1,0,0]=2 285 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O 6608 [0,1,0,0,0,0|1,0,0]=2 286 B11R1.166 CC1=CC(=CN=C1C(=O)O)Br 8694 [0,1,0,0,0,0|2,0,0]=3 287 B11R1.166 CC1=CC(=NC=C1[N+](=O)[O-])Cl 6670 [0,1,0,0,0,0|3,0,0]=4 288 B11R1.166 CC1=CC(=NC=C1[N+](=O)[O-])Cl 8473 [0,1,0,0,0,0|3,0,0]=4 289 B11R1.166 CC1=CC(=NC=C1[N+](=O)[O-])N 5688 [0,1,0,0,0,0|3,0,0]=4 290 B11R1.166 CC1=CC(=NC=C1[N+](=O)[O-])N 9417 [0,1,0,0,0,0|3,0,0]=4 291 B11R1.166 CC1=CC(=O)C(=CN1)C(=O)O 5043 [0,1,0,0,0,0|2,0,0]=3 292 B11R1.166 CC1=NC(=C(C=C1)[N+](=O)[O-])F 10110 [0,1,0,0,0,0|3,0,0]=4 293 B11R1.166 c1cc(c(cc1F)Br)[N+](=O)[O-] B0147 [0,1,0,0,0,0|3,0,0]=4 294 B11R1.166 c1cc(c(cc1F)Br)[N+](=O)[O-] B0336 [0,1,0,0,0,0|3,0,0]=4 295 B11R1.278 CC1=C(C(=C(C=C1)C=O)F)F 5389 [0,1,0,0,0,0|1,0,0]=2 296 B11R1.278 CC1=C(C(=C(C=C1)OC)F)F 6272 [0,1,0,0,0,0|3,0,0]=4 297 B11R1.279 COC1=C(C=C(C=C1)CBr)F 6494 [0,1,0,0,0,0|3,0,0]=4 298 B11R1.279 COC1=CC(=C(C=C1)C=O)F 6304 [0,1,0,0,0,0|1,0,0]=2 299 B11R1.279 COC1=CC(=C(C=C1)OC)Br 5967 [0,1,0,0,0,0|3,0,0]=4 300 B11R1.279 COC1=CC(=C(C=C1)OC)N 8812 [0,1,0,0,0,0|3,0,0]=4 301 B11R1.464 C1=C(C=C(C(=C1F)C=O)F)Cl 8488 [0,1,0,0,0,0|2,0,0]=3 302 B11R1.464 CC1=CC(=C(C(=C1)C)C=O)C 9200 [0,1,0,0,0,0|0,0,0]=1 303 B11R1.464 CC1=CC(=CC(=C1C=O)C)O 10609 [0,1,0,0,0,0|1,0,0]=2 304 B11R2.36 C1=CC(=CC2=C1C=CN2)Br 10604 [0,0,0,1,0,0|3,0,0]=4 305 B11R2.36 C1=CC(=CC2=C1C=CN2)Br 6492 [0,0,0,1,0,0|3,0,0]=4 306 B11R2.36 C1=CC(=CC2=C1C=CN2)Cl 10638 [0,0,0,1,0,0|3,0,0]=4 307 B11R2.36 C1=CC(=CC2=C1C=CN2)F 10188 [0,0,0,1,0,0|3,0,0]=4 308 B11R2.36 C1=CC(=CC2=C1C=CN2)F 8532 [0,0,0,1,0,0|3,0,0]=4 309 B11R2.36 C1=CC2=C(C=C1Br)NN=C2 5089 [0,0,0,1,0,0|3,0,0]=4 310 B11R2.36 C1CNC2=C1C=C(C=C2)Cl 9578 [0,0,0,1,0,0|3,0,0]=4 311 B11R2.36 CC1=CC2=C(C=C1)C=CN2 5403 [0,0,0,1,0,0|2,0,0]=3 312 B11R2.36 CC1=CC2=C(C=C1)C=CN2 6502 [0,0,0,1,0,0|2,0,0]=3 313 B11R2.36 c1cc2c(cc1F)CCN2 F1286 [0,0,0,1,0,0|3,0,0]=4 314 B8R1.2 C1=CC=C(C=C1)NN 6820 [2,0,0,0,0,0|2,0,0]=4 315 B8R1.2 c1ccnc(c1)C=O P0092 [2,0,0,0,0,0|1,0,0]=3 316 B8R1.2 c1cnccc1C=O P0128 [2,0,0,0,0,0|1,0,0]=3 317 B8R1.2 c1cnccc1C=O P0128 [2,0,0,0,0,0|1,0,0]=3 318 B8R1.3 C1=CC(=CC=C1F)Br 6014 [2,0,0,0,0,0|2,0,0]=4 319 B8R1.3 C1=CC(=CC=C1F)Cl 9763 [2,0,0,0,0,0|2,0,0]=4 320 B8R1.3 C1=CC(=CC=C1F)F 10591 [2,0,0,0,0,0|2,0,0]=4 321 B8R1.3 C1=CC(=CC=C1N)Cl 6700 [2,0,0,0,0,0|2,0,0]=4 322 B8R1.3 C1=CC(=CC=C1N)F 5032 [2,0,0,0,0,0|2,0,0]=4 323 B8R1.3 C1=CC(=CC=C1N)I 8418 [2,0,0,0,0,0|2,0,0]=4 324 B8R1.3 C1=CC(=O)NC=C1Br 8266 [2,0,0,0,0,0|2,0,0]=4 325 B8R1.3 C1=CC(=O)NC=C1Cl 10450 [2,0,0,0,0,0|2,0,0]=4 326 B8R1.3 C1=CC(=O)NC=C1F 8617 [2,0,0,0,0,0|2,0,0]=4 327 B8R1.3 CC1=CN=C(C=C1)Br 9393 [2,0,0,0,0,0|2,0,0]=4 328 B8R1.3 CC1=CN=C(C=C1)F 5449 [2,0,0,0,0,0|2,0,0]=4 329 B8R1.3 CC1=CNC(=O)C=C1 9951 [2,0,0,0,0,0|1,0,0]=3 330 B8R1.3 CC1=NC=C(C=C1)Br 5076 [2,0,0,0,0,0|2,0,0]=4 331 B8R1.3 CC1=NC=C(C=C1)N 10240 [2,0,0,0,0,0|2,0,0]=4 332 B8R1.3 c1cc(ccc1F)Br B0238 [2,0,0,0,0,0|2,0,0]=4 333 B8R1.3 c1cc(ccc1N)F F0045 [2,0,0,0,0,0|2,0,0]=4 334 B8R1.5 C1=CC=C(C(=C1)Br)Br 5382 [2,0,0,0,0,0|2,0,0]=4 335 B8R1.5 C1=CC=C(C(=C1)Br)I 6003 [2,0,0,0,0,0|2,0,0]=4 336 B8R1.5 C1=CC=C(C(=C1)Cl)Br 9010 [2,0,0,0,0,0|2,0,0]=4 337 B8R1.5 C1=CC=C(C(=C1)Cl)Cl 5752 [2,0,0,0,0,0|2,0,0]=4 338 B8R1.5 C1=CC=C(C(=C1)F)Br 6002 [2,0,0,0,0,0|2,0,0]=4 339 B8R1.5 C1=CC=C(C(=C1)F)Cl 10274 [2,0,0,0,0,0|2,0,0]=4 340 B8R1.5 C1=CC=C(C(=C1)F)Cl 6006 [2,0,0,0,0,0|2,0,0]=4 341 B8R1.5 C1=CC=C(C(=C1)F)F 6007 [2,0,0,0,0,0|2,0,0]=4 342 B8R1.5 C1=CC=C(C(=C1)F)F 8369 [2,0,0,0,0,0|2,0,0]=4 343 B8R1.5 C1=CC=C(C(=C1)N)Br 5510 [2,0,0,0,0,0|2,0,0]=4 344 B8R1.5 C1=CC=C(C(=C1)N)F 6030 [2,0,0,0,0,0|2,0,0]=4 345 B8R1.5 C1=CC=C(C(=C1)N)I 9774 [2,0,0,0,0,0|2,0,0]=4 346 B8R1.5 C1=CC=C(C(=C1)O)Br 8498 [2,0,0,0,0,0|1,0,1]=4 347 B8R1.5 C1=CNC=C(C1=O)N 9533 [2,0,0,0,0,0|2,0,0]=4 348 B8R1.5 CC1=C(C=CC=N1)Br 5675 [2,0,0,0,0,0|2,0,0]=4 349 B8R1.5 CC1=C(C=CC=N1)N 10626 [2,0,0,0,0,0|2,0,0]=4 350 B8R1.5 CC1=C(C=CN=C1)Cl 9936 [2,0,0,0,0,0|2,0,0]=4 351 B8R1.5 CC1=C(C=NC=C1)Br 10003 [2,0,0,0,0,0|2,0,0]=4 352 B8R1.5 CC1=C(N=CC=C1)Br 8086 [2,0,0,0,0,0|2,0,0]=4 353 B8R1.5 CC1=CC=CC=C1Cl 5808 [2,0,0,0,0,0|1,0,0]=3 354 B8R1.5 CC1=CC=CC=C1I 5298 [2,0,0,0,0,0|1,0,0]=3 355 B8R1.5 c1ccc(c(c1)N)F F0011 [2,0,0,0,0,0|2,0,0]=4 356 B8R1.4 C1=CC(=CC(=C1)Br)Br 5153 [2,0,0,0,0,0|2,0,0]=4 357 B8R1.4 C1=CC(=CC(=C1)Br)N 8582 [2,0,0,0,0,0|2,0,0]=4 358 B8R1.4 C1=CC(=CC(=C1)Br)N 8583 [2,0,0,0,0,0|2,0,0]=4 359 B8R1.4 C1=CC(=CC(=C1)Br)S 5283 [2,0,0,0,0,0|2,0,0]=4 360 B8R1.4 C1=CC(=CC(=C1)Cl)O 10156 [2,0,0,0,0,0|2,0,0]=4 361 B8R1.4 C1=CC(=CC(=C1)F)F 6015 [2,0,0,0,0,0|2,0,0]=4 362 B8R1.4 C1=CC(=CC(=C1)I)Br 5550 [2,0,0,0,0,0|2,0,0]=4 363 B8R1.4 C1=CC(=CC(=C1)I)F 8911 [2,0,0,0,0,0|2,0,0]=4 364 B8R1.4 C1=CC(=CC(=C1)I)O 9915 [2,0,0,0,0,0|2,0,0]=4 365 B8R1.4 CC1=CC(=CC=C1)Br 9432 [2,0,0,0,0,0|1,0,0]=3 366 B8R1.4 CC1=CC(=CC=C1)I 8771 [2,0,0,0,0,0|1,0,0]=3 367 B8R1.4 CC1=CC(=CN=C1)N 8645 [2,0,0,0,0,0|2,0,0]=4 368 B8R1.4 CC1=CC(=NC=C1)Br 9012 [2,0,0,0,0,0|2,0,0]=4 369 B8R1.4 CC1=CC(=NC=C1)Cl 5069 [2,0,0,0,0,0|2,0,0]=4 370 B8R1.4 CC1=CC(=NC=C1)F 5561 [2,0,0,0,0,0|2,0,0]=4 371 B8R1.4 CC1=CC(=NC=C1)F 6308 [2,0,0,0,0,0|2,0,0]=4 372 B8R1.4 CC1=NC(=CC=C1)Br 5660 [2,0,0,0,0,0|2,0,0]=4 373 B8R1.4 CC1=NC(=CC=C1)Cl 5070 [2,0,0,0,0,0|2,0,0]=4 374 B8R1.4 CC1=NC(=CC=C1)F 9658 [2,0,0,0,0,0|2,0,0]=4 375 B8R1.4 CC1=NC=CC(=C1)N 6613 [2,0,0,0,0,0|2,0,0]=4 376 B8R1.4 c1cc(cc(c1)Br)F B0235 [2,0,0,0,0,0|2,0,0]=4 377 B10R1.1 CC1=CC=C(C=C1)CCN 6556 [1,1,0,0,0,0|1,0,1]=4 378 B10R1.3 C1=CC(=CC=C1C=O)C#N 5691 [1,1,0,0,0,0|0,0,1]=3 379 B10R1.3 C1=CC(=CC=C1C=O)C#N 5751 [1,1,0,0,0,0|0,0,1]=3 380 B10R1.3 C1=CC(=CC=C1CN)C#N C0297 [1,1,0,0,0,0|1,0,1]=4 381 B10R1.3 CCC1=CC=C(C=C1)C#C 10015 [1,1,0,0,0,0|1,0,1]=4 382 B10R1.3 COC1=CC=C(C=C1)C#C 9950 [1,1,0,0,0,0|1,0,1]=4 383 B10R1.3 COC1=CC=C(C=C1)C=O 8125 [1,1,0,0,0,0|0,0,0]=2 384 B10R1.3 COC1=CC=C(C=C1)CN 8511 [1,1,0,0,0,0|1,0,1]=4 385 B10R1.3 COC1=NC=C(C=C1)C=O 5473 [1,1,0,0,0,0|1,0,0]=3 386 B10R1.3 c1cc(ccc1C=O)C#N F0081 [1,1,0,0,0,0|0,0,1]=3 387 B10R1.13 B(C1=CC=C(C=C1)C)(O)O 5425 [1,1,0,0,0,0|1,0,1]=4 388 B10R1.13 B(C1=CC=C(C=C1)C)(O)O 9510 [1,1,0,0,0,0|1,0,1]=4 389 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl 8212 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F 9898 [1,1,0,0,0,0|1,0,0]=3 391 B10R1.13 C1=CC(=CC=C1C(=O)O)Cl 6827 [1,1,0,0,0,0|1,0,0]=3 392 B10R1.13 C1=CC(=CC=C1C(=O)O)F 5362 [1,1,0,0,0,0|1,0,0]=3 393 B10R1.13 C1=CC(=CC=C1C(=O)O)F 8250 [1,1,0,0,0,0|1,0,0]=3 394 B10R1.13 C1=CC(=CC=C1C(=S)N)Cl 10635 [1,1,0,0,0,0|1,1,0]=4 395 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])Br 10151 [1,1,0,0,0,0|2,0,0]=4 396 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])F 6117 [1,1,0,0,0,0|2,0,0]=4 397 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])[O-] 10257 [1,1,0,0,0,0|2,0,0]=4 398 B10R1.13 C1=CC(=NC=C1C(=O)O)Br 6594 [1,1,0,0,0,0|2,0,0]=4 399 B10R1.13 C1=CC(=NC=C1C(=O)O)F 8791 [1,1,0,0,0,0|2,0,0]=4 400 B10R1.13 C1=CC(=NC=C1C(=O)O)N 5220 [1,1,0,0,0,0|2,0,0]=4 401 B10R1.13 C1=CC(=NC=C1Cl)C(=O)O 9363 [1,1,0,0,0,0|2,0,0]=4 402 B10R1.13 C1=CC(=NC=C1N)C(=O)O 5702 [1,1,0,0,0,0|2,0,0]=4 403 B10R1.13 C1=CC(=O)NC=C1C(=O)O 9694 [1,1,0,0,0,0|2,0,0]=4 404 B10R1.13 C1=C[N+](=CC=C1C(=O)O)[O-] 8865 [1,1,0,0,0,0|2,0,0]=4 405 B10R1.13 CC(=O)C1=CC=C(C=C1)I 9277 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.13 CC(=O)C1=CC=C(C=C1)O 8298 [1,1,0,0,0,0|1,0,0]=3 407 B10R1.13 CC(=O)C1=CN=C(C=C1)Cl 9976 [1,1,0,0,0,0|2,0,0]=4 408 B10R1.13 CC1=CC=C(C=C1)C(=O)O 9874 [1,1,0,0,0,0|0,0,0]=2 409 B10R1.13 CC1=NC=C(N=C1)C(=O)O 9695 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] N0068 [1,1,0,0,0,0|1,0,0]=3 411 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] N0068 [1,1,0,0,0,0|1,0,0]=3 412 B10R1.13 c1cc(ccc1[N+](=O)[O-])O N0023 [1,1,0,0,0,0|2,0,0]=4 413 B10R1.176 C1=CC(=C(C=C1C=O)Br)F 5548 [1,1,0,0,0,0|1,0,0]=3 414 B10R1.176 C1=CC(=C(C=C1C=O)Cl)Br 9404 [1,1,0,0,0,0|1,0,0]=3 415 B10R1.176 C1=CC(=C(C=C1C=O)Cl)F 8322 [1,1,0,0,0,0|1,0,0]=3 416 B10R1.176 C1=CC(=C(C=C1C=O)F)Br 9383 [1,1,0,0,0,0|1,0,0]=3 417 B10R1.176 C1=CC(=C(C=C1C=O)F)F 5614 [1,1,0,0,0,0|1,0,0]=3 418 B10R1.176 C1=CC(=C(C=C1C=O)F)O 9932 [1,1,0,0,0,0|1,0,0]=3 419 B10R1.176 C1=CC(=C(C=C1C=O)O)O 6767 [1,1,0,0,0,0|1,0,0]=3 420 B10R1.176 CC1=C(C=C(C=C1)C#N)Br 6755 [1,1,0,0,0,0|1,0,1]=4 421 B10R1.176 CC1=C(C=C(C=C1)C#N)F 9664 [1,1,0,0,0,0|1,0,1]=4 422 B10R1.176 CC1=C(C=C(C=C1)C#N)N 8423 [1,1,0,0,0,0|1,0,1]=4 423 B10R1.176 CC1=C(C=C(C=C1)C=O)F 6278 [1,1,0,0,0,0|0,0,0]=2 424 B10R1.176 CC1=C(C=C(C=C1)C=O)F 6279 [1,1,0,0,0,0|0,0,0]=2 425 B10R1.176 CC1=C(C=C(C=C1)CBr)F 8915 [1,1,0,0,0,0|1,0,1]=4 426 B10R1.176 CC1=C(C=C(C=C1)CN)C 6547 [1,1,0,0,0,0|1,0,1]=4 427 B10R1.176 CC1=C(C=C(C=C1)CN)F 8324 [1,1,0,0,0,0|1,0,1]=4 428 B10R1.176 CC1=C(C=C(C=C1)CO)F 8904 [1,1,0,0,0,0|0,0,2]=4 429 B10R1.176 CC1=C(C=C(C=C1)OC)Cl 8676 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.2 C1=CC(=C(C(=C1)Cl)Cl)C=O 6819 [1,1,0,0,0,0|1,0,0]=3 431 B10R1.2 C1=CC(=C(C(=C1)Cl)F)C=O 5345 [1,1,0,0,0,0|1,0,0]=3 432 B10R1.2 C1=CC(=C(C(=C1)Cl)F)C=O 6249 [1,1,0,0,0,0|1,0,0]=3 433 B10R1.2 C1=CC(=C(C(=C1)F)F)C=O 6063 [1,1,0,0,0,0|1,0,0]=3 434 B10R1.2 CC1=C(C(=CC=C1)CN)C 6546 [1,1,0,0,0,0|1,0,1]=4 435 B10R1.2 CC1=C(C=CC=C1Br)C#N 6769 [1,1,0,0,0,0|1,0,1]=4 436 B10R1.2 CC1=C(C=CC=C1Cl)C#N 5120 [1,1,0,0,0,0|1,0,1]=4 437 B10R1.2 CC1=C(C=CC=C1Cl)CN 6533 [1,1,0,0,0,0|1,0,1]=4 438 B10R1.2 CC1=C(C=CC=C1F)C=O 9593 [1,1,0,0,0,0|0,0,0]=2 439 B10R1.2 CC1=CC=CC(=C1C)C#N 5505 [1,1,0,0,0,0|1,0,1]=4 440 B10R1.2 CC1=CC=CC(=C1C)C=O 9617 [1,1,0,0,0,0|0,0,0]=2 441 B10R1.20 C1=CC=C(C(=C1)C=O)C#N 8643 [1,1,0,0,0,0|0,0,1]=3 442 B10R1.20 CCC1=CC=CC=C1NN 10327 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.20 COC1=CC=CC=C1OC 9439 [1,1,0,0,0,0|2,0,0]=4 444 B10R1.20 COC1=CC=CC=C1SC 5663 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.30 C1=CC(=C(C=C1Cl)C=O)Br 10177 [1,1,0,0,0,0|1,0,0]=3 446 B10R1.30 C1=CC(=C(C=C1Cl)C=O)O 6718 [1,1,0,0,0,0|1,0,0]=3 447 B10R1.30 C1=CC(=C(C=C1F)C=O)O 10080 [1,1,0,0,0,0|1,0,0]=3 448 B10R1.30 C1=CC(=C(C=C1I)C=O)F 9372 [1,1,0,0,0,0|1,0,0]=3 449 B10R1.30 C1=CC(=C(C=C1O)C=O)Br 8805 [1,1,0,0,0,0|1,0,0]=3 450 B10R1.30 CC1=C(C=C(C=C1)Cl)CN 6534 [1,1,0,0,0,0|1,0,1]=4 451 B10R1.30 CC1=C(C=C(C=C1)F)CBr 8570 [1,1,0,0,0,0|1,0,1]=4 452 B10R1.30 CC1=C(C=C(C=C1)N)C#N 9614 [1,1,0,0,0,0|1,0,1]=4 453 B10R1.30 CC1=CC(=C(C=C1)C)C#N 6545 [1,1,0,0,0,0|1,0,1]=4 454 B10R1.61 B(C1=CC=CC=C1C)(O)O 5424 [1,1,0,0,0,0|1,0,1]=4 455 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)O 5226 [1,1,0,0,0,0|2,0,0]=4 456 B10R1.61 C1=CC(=C(N=C1)C(=O)O)N 10236 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)O 5074 [1,1,0,0,0,0|2,0,0]=4 458 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)O 9565 [1,1,0,0,0,0|2,0,0]=4 459 B10R1.61 C1=CC(=C(N=C1)F)C(=O)O 6239 [1,1,0,0,0,0|2,0,0]=4 460 B10R1.61 C1=CC(=C(N=C1)N)C(=O)O 8982 [1,1,0,0,0,0|2,0,0]=4 461 B10R1.61 C1=CC=C(C(=C1)C(=O)N)F 6116 [1,1,0,0,0,0|1,0,0]=3 462 B10R1.61 C1=CC=C(C(=C1)C(=O)O)F 10438 [1,1,0,0,0,0|1,0,0]=3 463 B10R1.61 C1=CC=C(C(=C1)C(=O)O)F 5361 [1,1,0,0,0,0|1,0,0]=3 464 B10R1.61 C1=CC=C(C(=C1)C(=O)O)I 10195 [1,1,0,0,0,0|1,0,0]=3 465 B10R1.61 C1=CC=C(C(=C1)C(=S)N)I 9519 [1,1,0,0,0,0|1,1,0]=4 466 B10R1.61 C1=CN=CC(=C1Br)C(=O)O 10508 [1,1,0,0,0,0|2,0,0]=4 467 B10R1.61 C1=CN=CC(=C1C(=O)O)Br 8123 [1,1,0,0,0,0|2,0,0]=4 468 B10R1.61 C1=CN=CC(=C1C(=O)O)Cl 5213 [1,1,0,0,0,0|2,0,0]=4 469 B10R1.61 C1=CN=CC(=C1C(=O)O)F 5201 [1,1,0,0,0,0|2,0,0]=4 470 B10R1.61 C1=CN=CC(=C1C(=O)O)O 10190 [1,1,0,0,0,0|2,0,0]=4 471 B10R1.61 C1=CN=CC(=C1Cl)C(=O)O 9319 [1,1,0,0,0,0|2,0,0]=4 472 B10R1.61 C1=CN=CC(=C1N)C(=O)O 9973 [1,1,0,0,0,0|2,0,0]=4 473 B10R1.61 CC(=O)C1=C(N=CC=C1)Cl 10697 [1,1,0,0,0,0|2,0,0]=4 474 B10R1.61 CC(=O)C1=CC=CC=C1Cl 6154 [1,1,0,0,0,0|1,0,0]=3 475 B10R1.61 CC(=O)C1=CC=CC=C1F 5580 [1,1,0,0,0,0|1,0,0]=3 476 B10R1.61 CC(=O)C1=CC=CC=C1F 6042 [1,1,0,0,0,0|1,0,0]=3 477 B10R1.61 CC1=C(C=CC=N1)C(=O)O 8461 [1,1,0,0,0,0|1,0,0]=3 478 B10R1.61 CC1=NC=CN=C1C(=O)C 6120 [1,1,0,0,0,0|2,0,0]=4 479 B10R1.245 C1=CC(=C(C(=C1)Br)C=O)F 8811 [1,1,0,0,0,0|1,0,0]=3 480 B10R1.245 C1=CC(=C(C(=C1)Cl)C=O)F 8182 [1,1,0,0,0,0|1,0,0]=3 481 B10R1.245 C1=CC(=C(C(=C1)F)C=O)F 5392 [1,1,0,0,0,0|1,0,0]=3 482 B10R1.245 CC1=C(C(=CC=C1)C)C=O 8504 [1,1,0,0,0,0|0,0,0]=2 483 B10R1.245 CC1=C(C(=CC=C1)C)CCl 6548 [1,1,0,0,0,0|1,0,1]=4 484 B10R1.245 CC1=C(C(=CC=C1)Cl)C=O 9501 [1,1,0,0,0,0|0,0,0]=2 485 B10R1.22 CC1=CC(=C(C(=C1)Br)N)Br 6657 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.22 CC1=CC(=C(C(=C1)C)I)C 5640 [1,1,0,0,0,0|1,0,0]=3 487 B10R1.22 CC1=CC(=C(C(=C1)O)C)C 9036 [1,1,0,0,0,0|0,0,1]=3 488 B10R1.22 CC1=CC(=CC(=C1F)C)Br 8749 [1,1,0,0,0,0|2,0,0]=4 489 B10R1.22 CC1=CC(=CC(=C1I)C)Br 6527 [1,1,0,0,0,0|2,0,0]=4 490 B10R1.22 CC1=CC(=CC(=C1N)C)Br 8071 [1,1,0,0,0,0|2,0,0]=4 491 B10R1.22 CC1=CC(=CC(=C1O)Cl)Br 10541 [1,1,0,0,0,0|1,0,1]=4 492 B10R1.118 CC1=CC(=C(C=C1Br)C)N 8537 [1,1,0,0,0,0|1,0,1]=4 493 B10R1.118 CC1=CC(=C(C=C1Cl)C)N 6620 [1,1,0,0,0,0|1,0,1]=4 494 B10R1.118 CC1=CC(=C(C=C1Cl)Cl)F 6167 [1,1,0,0,0,0|2,0,0]=4 495 B10R1.118 CC1=CC(=C(C=C1N)Cl)Br 6611 [1,1,0,0,0,0|2,0,0]=4 496 B10R1.119 CC1=C(C(=C(C=C1)Cl)O)F 6260 [1,1,0,0,0,0|2,0,0]=4 497 B10R1.119 CC1=C(C(=C(C=C1)F)O)Cl 6259 [1,1,0,0,0,0|2,0,0]=4 498 B10R1.119 CC1=C(C(=C(C=C1)F)O)F 6277 [1,1,0,0,0,0|2,0,0]=4 499 B10R1.119 CC1=C(C(=C(C=C1)O)F)F 6276 [1,1,0,0,0,0|1,0,1]=4 500 B10R1.119 CC1=C(C=CC(=C1C)O)O 10027 [1,1,0,0,0,0|1,0,1]=4 501 B10R1.59 CC1=C(SC(=N1)C)C(=O)O 8236 [0,1,0,0,1,0|2,0,0]=4 502 B10R1.194 Cc1c(cnn1C)C(=O)O D1289 [0,1,0,0,1,0|2,0,0]=4 503 B12R1.57 CC(=O)C1=C(C=C(C=C1)F)OC 9275 [0,2,0,0,0,0|1,0,0]=3 504 B12R1.57 CC1=CC(=C(C=C1)C(=O)O)OC 5304 [0,2,0,0,0,0|0,0,0]=2 505 B12R1.233 C1=CC(=C(C=C1Cl)F)CC(=O)O 10469 [0,2,0,0,0,0|2,0,0]=4 506 B12R1.233 C1=CC(=C(C=C1F)Cl)CC(=O)O 5453 [0,2,0,0,0,0|2,0,0]=4 507 B12R1.233 C1=CC(=C(C=C1F)F)CC(=O)O 6068 [0,2,0,0,0,0|2,0,0]=4 508 B12R1.1703 C1=CC(=C(C=C1Cl)Cl)C(=O)CCl 9613 [0,2,0,0,0,0|2,0,0]=4 509 B12R1.1703 C1=CC(=C(C=C1O)O)C(=O)NN 9582 [0,2,0,0,0,0|2,0,0]=4 510 B12R1.1703 CC1=C(C=CC(=C1)F)C(=O)OC 10692 [0,2,0,0,0,0|1,0,0]=3 511 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Cl)Cl 5266 [0,2,0,0,0,0|2,0,0]=4 512 B12R1.1703 COC(=O)C1=C(C=C(C=C1)F)Cl 5134 [0,2,0,0,0,0|2,0,0]=4 513 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)O 8269 [0,2,0,0,0,0|2,0,0]=4 514 B12R1.126 CC1=C(C=CC(=C1)Br)S(=O)(=O)Cl 8787 [0,2,0,0,0,0|2,0,0]=4 515 B12R1.126 CC1=C(C=CC(=C1)F)S(=O)(=O)Cl 5470 [0,2,0,0,0,0|2,0,0]=4 516 B12R1.232 C1=C(C(=CC(=C1F)Br)Cl)C(=O)O 9000 [0,2,0,0,0,0|2,0,0]=4 517 B12R1.232 C1=C(C(=CC(=C1F)Cl)F)C(=O)Cl 8566 [0,2,0,0,0,0|2,0,0]=4 518 B12R1.232 C1=C(C(=CC(=C1F)F)Cl)C(=O)O 6044 [0,2,0,0,0,0|2,0,0]=4 519 B12R1.232 C1=C(C(=CC(=C1F)F)F)C(=O)Cl 5365 [0,2,0,0,0,0|2,0,0]=4 520 B12R1.232 C1=C(C(=CC(=C1F)F)F)C(=O)Cl 8344 [0,2,0,0,0,0|2,0,0]=4 521 B12R1.232 C1=C(C(=CC(=C1F)F)F)C(=O)N 5055 [0,2,0,0,0,0|2,0,0]=4 522 B12R1.232 C1=C(C(=CC(=C1F)F)F)C(=O)O 5056 [0,2,0,0,0,0|2,0,0]=4 523 B12R1.232 C1=C(C(=CC(=C1F)F)F)C(=O)O 6045 [0,2,0,0,0,0|2,0,0]=4 524 B12R1.232 CC(=O)C1=CC(=C(C=C1Cl)Cl)F 9430 [0,2,0,0,0,0|2,0,0]=4 525 B12R1.232 CC(=O)C1=CC(=C(C=C1Cl)F)F 5454 [0,2,0,0,0,0|2,0,0]=4 526 B12R1.232 CC(=O)C1=CC(=C(C=C1F)F)F 6066 [0,2,0,0,0,0|2,0,0]=4 527 B12R1.232 CC1=C(C=C(C(=C1)C(=O)C)F)Cl 10345 [0,2,0,0,0,0|2,0,0]=4 528 B12R1.232 CC1=CC(=C(C=C1C)[N+](=O)[O-])N 9415 [0,2,0,0,0,0|2,0,0]=4 529 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)O D1689 [0,2,0,0,0,0|2,0,0]=4 530 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)F 9952 [0,2,0,0,0,0|1,0,0]=3 531 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)N 8810 [0,2,0,0,0,0|1,0,0]=3 532 B12R1.893 C1=CC(=C(C(=C1C(=O)Cl)F)Cl)F 6437 [0,2,0,0,0,0|2,0,0]=4 533 B12R1.893 C1=CC(=C(C(=C1C(=O)Cl)F)F)F 8925 [0,2,0,0,0,0|2,0,0]=4 534 B12R1.893 C1=CC(=C(C(=C1C(=O)N)F)F)F 9268 [0,2,0,0,0,0|2,0,0]=4 535 B12R1.893 C1=CC(=C(C(=C1C(=O)O)F)F)F 5142 [0,2,0,0,0,0|2,0,0]=4 536 B12R1.893 C1=CC(=C(C(=C1C(=O)O)F)F)F 6058 [0,2,0,0,0,0|2,0,0]=4 537 B12R1.893 CC1=C(C(=C(C=C1)C(=O)O)F)F 6274 [0,2,0,0,0,0|1,0,0]=3 538 B12R1.1000 C1=C(C=C(C(=C1F)C(=O)Cl)F)F 8734 [0,2,0,0,0,0|2,0,0]=4 539 B12R1.1000 C1=C(C=C(C(=C1F)C(=O)N)F)F 8183 [0,2,0,0,0,0|2,0,0]=4 540 B12R1.1000 CC(=O)C1=C(C=C(C=C1F)F)F 9240 [0,2,0,0,0,0|2,0,0]=4 541 B10R2.7 C1=CC=C2C(=C1)C=CO2 9001 [1,0,0,1,0,0|2,0,0]=4 542 B10R2.7 c1ccc2c(c1)CCC2 I009 [1,0,0,1,0,0|1,0,1]=4 543 B12R2.24 CC1=CC2=C(C=C1)N=CC=C2 8882 [0,1,0,1,0,0|1,0,1]=4 544 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)F 5113 [0,1,0,1,0,0|1,0,0]=3 545 B12R2.612 c1cc2c(cc1N)CCC2=O A2089 [0,1,0,1,0,0|1,0,0]=3 546 B12R2.612 c1cc2c(cc1N)COC2=O A0079 [0,1,0,1,0,0|1,0,0]=3 547 B12R2.606 C1=CC2=C(C=C1N)NC(=O)N2 6498 [0,1,0,1,0,0|2,0,0]=4 548 B12R2.606 C1C2=C(C=CC(=C2)Br)NC1=O 8539 [0,1,0,1,0,0|1,0,0]=3 549 B12R2.606 CC1=CC2=C(C=C1)NC(=C2)C 6591 [0,1,0,1,0,0|1,0,1]=4 550 B12R2.44 COC1=CC2=C(C=C1)C=CN2 6603 [0,1,0,1,0,0|2,0,0]=4 551 B12R2.44 COC1=CC2=C(C=C1)C=CN2 8822 [0,1,0,1,0,0|2,0,0]=4 552 B12R2.44 c1cc(cc2c1cc[nH]2)CN A4991 [0,1,0,1,0,0|2,0,0]=4 553 B8R1.1 C1=C(SC=C1Br)C=O 8987 [1,0,0,0,1,0|2,0,0]=4 554 B8R1.1 CN1C=C(C=N1)C=O 8131 [1,0,0,0,1,0|2,0,0]=4 555 B8R1.11 CC1=C(SC=N1)C=O 8622 [1,0,0,0,1,0|2,0,0]=4