0 B8R1.3 C1=C(C=NC(=N1)Cl)Br 5202 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.3 C1=C(C=NC(=N1)Cl)Br 9321 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.3 C1=C(C=NC(=N1)Cl)F 6642 [0,0,0,0,0,0|4,0,0]=4 3 B8R1.3 C1=C(C=NC(=N1)I)Br 10468 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.3 C1=C(C=NC(=N1)N)Br 10687 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.3 C1=C(C=NC(=N1)N)Cl 5105 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.3 C1=C(C=NC(=O)N1)Br 10164 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.3 C1=C(N=CC(=N1)Br)Br 6735 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.3 C1=CC(=CC=C1F)Br 6014 [0,0,0,0,0,0|2,0,0]=2 9 B8R1.3 C1=CC(=CC=C1F)Cl 9763 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.3 C1=CC(=CC=C1F)F 10591 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.3 C1=CC(=CC=C1N)Cl 6700 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.3 C1=CC(=CC=C1N)F 5032 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.3 C1=CC(=CC=C1N)I 8418 [0,0,0,0,0,0|2,0,0]=2 14 B8R1.3 C1=CC(=NC=C1Br)Br 5443 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.3 C1=CC(=NC=C1Br)Cl 9228 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.3 C1=CC(=NC=C1Br)I 9334 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.3 C1=CC(=NC=C1Br)N 10514 [0,0,0,0,0,0|3,0,0]=3 18 B8R1.3 C1=CC(=NC=C1Cl)Br 6467 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.3 C1=CC(=NC=C1Cl)N 8218 [0,0,0,0,0,0|3,0,0]=3 20 B8R1.3 C1=CC(=NC=C1F)Br 10006 [0,0,0,0,0,0|3,0,0]=3 21 B8R1.3 C1=CC(=NC=C1F)Br 6615 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.3 C1=CC(=NC=C1F)Cl 9957 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.3 C1=CC(=NC=C1F)F 5247 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.3 C1=CC(=NC=C1F)N 10320 [0,0,0,0,0,0|3,0,0]=3 25 B8R1.3 C1=CC(=NC=C1I)Br 9940 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.3 C1=CC(=NC=C1I)Cl 5225 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.3 C1=CC(=NC=C1I)N 5110 [0,0,0,0,0,0|3,0,0]=3 28 B8R1.3 C1=CC(=NC=C1O)Br 10436 [0,0,0,0,0,0|2,0,0]=2 29 B8R1.3 C1=CC(=NC=C1O)Cl 9958 [0,0,0,0,0,0|2,0,0]=2 30 B8R1.3 C1=CC(=NN=C1Cl)Cl 5485 [0,0,0,0,0,0|4,0,0]=4 31 B8R1.3 C1=CC(=NN=C1N)Cl 10039 [0,0,0,0,0,0|4,0,0]=4 32 B8R1.3 C1=CC(=O)NC=C1Br 8266 [0,0,0,0,0,0|2,0,1]=3 33 B8R1.3 C1=CC(=O)NC=C1Cl 10450 [0,0,0,0,0,0|2,0,1]=3 34 B8R1.3 C1=CC(=O)NC=C1F 8617 [0,0,0,0,0,0|2,0,1]=3 35 B8R1.3 CC1=CN=C(C=C1)Br 9393 [0,0,0,0,0,0|2,0,0]=2 36 B8R1.3 CC1=CN=C(C=C1)F 5449 [0,0,0,0,0,0|2,0,0]=2 37 B8R1.3 CC1=CNC(=O)C=C1 9951 [0,0,0,0,0,0|1,0,1]=2 38 B8R1.3 CC1=NC=C(C=C1)Br 5076 [0,0,0,0,0,0|2,0,0]=2 39 B8R1.3 CC1=NC=C(C=C1)N 10240 [0,0,0,0,0,0|2,0,0]=2 40 B8R1.3 c1c(cnc(n1)F)Br B1994 [0,0,0,0,0,0|4,0,0]=4 41 B8R1.3 c1c(cnc(n1)N)Br A0051 [0,0,0,0,0,0|4,0,0]=4 42 B8R1.3 c1cc(ccc1F)Br B0238 [0,0,0,0,0,0|2,0,0]=2 43 B8R1.3 c1cc(ccc1N)F F0045 [0,0,0,0,0,0|2,0,0]=2 44 B8R1.3 c1cc(nnc1N)Cl C2401 [0,0,0,0,0,0|4,0,0]=4 45 B7R1.3 C1=C(C=NC=N1)Br 5441 [1,0,0,0,0,0|3,0,0]=4 46 B7R1.3 C1=C(C=NC=N1)N 10659 [1,0,0,0,0,0|3,0,0]=4 47 B7R1.3 C1=CC(=CN=C1)N 9511 [1,0,0,0,0,0|2,0,0]=3 48 B7R1.3 C1=CC(=CN=C1)O 6695 [1,0,0,0,0,0|1,0,0]=2 49 B7R1.3 C1=CC(=CN=C1)O 6696 [1,0,0,0,0,0|1,0,0]=2 50 B7R1.3 C1=CC=C(C=C1)F 5387 [1,0,0,0,0,0|1,0,0]=2 51 B7R1.3 C1=CC=C(C=C1)O 5847 [1,0,0,0,0,0|0,0,0]=1 52 B7R1.3 C1=CC=NC(=C1)Br 6647 [1,0,0,0,0,0|2,0,0]=3 53 B7R1.3 C1=CC=[N+](C=C1)[O-] 9065 [1,0,0,0,0,0|1,0,1]=3 54 B7R1.3 C1=CN=C(C=N1)Cl 5278 [1,0,0,0,0,0|3,0,0]=4 55 B7R1.3 C1=CN=C(C=N1)N 6677 [1,0,0,0,0,0|3,0,0]=4 56 B7R1.3 C1=CN=CN=C1N 6491 [1,0,0,0,0,0|3,0,0]=4 57 B7R1.3 CC1=CN=CC=C1 8633 [1,0,0,0,0,0|1,0,0]=2 58 B7R1.3 c1c(cncn1)Br B0314 [1,0,0,0,0,0|3,0,0]=4 59 B7R1.3 c1ccc(cc1)F B0042 [1,0,0,0,0,0|1,0,0]=2 60 B7R1.3 c1ccnc(c1)Br B0025 [1,0,0,0,0,0|2,0,0]=3 61 B7R1.3 c1cnc(nc1)N A0006 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.1 C#CC1=CC=C(C=C1)F 10155 [0,1,0,0,0,0|1,0,1]=3 63 B9R1.1 C1=CC(=CC=C1C#N)Br 10589 [0,1,0,0,0,0|1,0,1]=3 64 B9R1.1 C1=CC(=CC=C1C#N)Cl 5712 [0,1,0,0,0,0|1,0,1]=3 65 B9R1.1 C1=CC(=CC=C1C#N)F 10581 [0,1,0,0,0,0|1,0,1]=3 66 B9R1.1 C1=CC(=CC=C1C#N)F 6090 [0,1,0,0,0,0|1,0,1]=3 67 B9R1.1 C1=CC(=CC=C1C#N)N 5665 [0,1,0,0,0,0|1,0,1]=3 68 B9R1.1 C1=CC(=CC=C1C=O)F 6034 [0,1,0,0,0,0|1,0,1]=3 69 B9R1.1 C1=CC(=CC=C1C=O)I 5018 [0,1,0,0,0,0|1,0,1]=3 70 B9R1.1 C1=CC(=CC=C1C=O)O 5740 [0,1,0,0,0,0|0,0,1]=2 71 B9R1.1 C1=CC(=CC=C1CBr)Br 10348 [0,1,0,0,0,0|1,0,0]=2 72 B9R1.1 C1=CC(=CC=C1CCl)Cl 6806 [0,1,0,0,0,0|1,0,0]=2 73 B9R1.1 C1=CC(=CC=C1CN)Br 8072 [0,1,0,0,0,0|1,0,0]=2 74 B9R1.1 C1=CC(=CC=C1CN)F 5139 [0,1,0,0,0,0|1,0,0]=2 75 B9R1.1 C1=CC(=CC=C1CN)O 8602 [0,1,0,0,0,0|0,0,0]=1 76 B9R1.1 C1=CC(=CC=C1CS)Cl 6134 [0,1,0,0,0,0|1,0,0]=2 77 B9R1.1 C1=CC(=CC=C1NN)Br 5240 [0,1,0,0,0,0|2,0,0]=3 78 B9R1.1 C1=CC(=CC=C1NN)Cl 10440 [0,1,0,0,0,0|2,0,0]=3 79 B9R1.1 C1=CC(=CC=C1NN)F 5594 [0,1,0,0,0,0|2,0,0]=3 80 B9R1.1 C1=CC(=NC=C1Br)C=O 5008 [0,1,0,0,0,0|2,0,1]=4 81 B9R1.1 C1=CC(=NC=C1Br)CO 8417 [0,1,0,0,0,0|2,0,0]=3 82 B9R1.1 C1=CC(=NC=C1C#N)Cl 9222 [0,1,0,0,0,0|2,0,1]=4 83 B9R1.1 C1=CC(=NC=C1C#N)F 8692 [0,1,0,0,0,0|2,0,1]=4 84 B9R1.1 C1=CC(=NC=C1C#N)N 9207 [0,1,0,0,0,0|2,0,1]=4 85 B9R1.1 C1=CC(=NC=C1C=O)Cl 5230 [0,1,0,0,0,0|2,0,1]=4 86 B9R1.1 C1=CC(=NC=C1CCl)Cl 5674 [0,1,0,0,0,0|2,0,0]=3 87 B9R1.1 C1=CC(=NC=C1Cl)NN 8116 [0,1,0,0,0,0|3,0,0]=4 88 B9R1.1 C=CC1=CC=C(C=C1)N 6013 [0,1,0,0,0,0|1,0,1]=3 89 B9R1.1 CC1=CC=C(C=C1)C#N 6644 [0,1,0,0,0,0|1,0,0]=2 90 B9R1.1 CC1=CC=C(C=C1)CBr 9734 [0,1,0,0,0,0|1,0,0]=2 91 B9R1.1 CC1=CC=C(C=C1)CN 9612 [0,1,0,0,0,0|1,0,0]=2 92 B9R1.1 CC1=CN=C(C=C1)C#N 6614 [0,1,0,0,0,0|2,0,0]=3 93 B9R1.1 COC1=CC=C(C=C1)Br 6813 [0,1,0,0,0,0|1,0,0]=2 94 B9R1.1 COC1=CC=C(C=C1)F 5383 [0,1,0,0,0,0|1,0,0]=2 95 B9R1.1 COC1=CC=C(C=C1)N 8631 [0,1,0,0,0,0|1,0,0]=2 96 B9R1.1 COC1=CC=C(C=C1)S 8726 [0,1,0,0,0,0|0,1,0]=2 97 B9R1.1 COC1=NC=C(C=C1)Br 9358 [0,1,0,0,0,0|2,0,0]=3 98 B9R1.1 COC1=NC=C(C=C1)Br 9555 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.1 COC1=NC=C(C=C1)Cl 9538 [0,1,0,0,0,0|2,0,0]=3 100 B9R1.1 COC1=NC=C(C=C1)N 9999 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.1 CSC1=CC=C(C=C1)F 9086 [0,1,0,0,0,0|1,0,0]=2 102 B9R1.69 C1=C(C(=NC=C1Br)Cl)Cl 8489 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.69 C1=C(C(=NC=C1Br)Cl)F 6501 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.69 C1=C(C(=NC=C1Br)Cl)N 9545 [0,1,0,0,0,0|3,0,0]=4 105 B9R1.69 C1=C(C(=NC=C1Br)F)F 8605 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.69 C1=C(C(=NC=C1Cl)Cl)N 9721 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.69 C1=C(C(=NC=C1Cl)F)F 5021 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.69 C1=C(C=NC(=C1Br)Cl)Br 10691 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.69 C1=C(C=NC(=C1Br)Cl)Cl 6691 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.69 C1=C(C=NC(=C1Br)N)Cl 6631 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.69 C1=C(C=NC(=C1Cl)Br)Cl 10512 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.69 C1=C(C=NC(=C1Cl)F)Cl 10235 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.69 C1=C(C=NC(=C1Cl)N)Cl 8490 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.69 C1=C(C=NC(=C1F)N)F 6681 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.69 C1=C(C=NC(=C1I)N)Br 9030 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.69 C1=CC(=C(C=C1Br)Br)F 6201 [0,1,0,0,0,0|2,0,0]=3 117 B9R1.69 C1=CC(=C(C=C1Br)Br)N 6160 [0,1,0,0,0,0|2,0,0]=3 118 B9R1.69 C1=CC(=C(C=C1Br)Cl)Cl 5098 [0,1,0,0,0,0|2,0,0]=3 119 B9R1.69 C1=CC(=C(C=C1Br)Cl)F 5541 [0,1,0,0,0,0|2,0,0]=3 120 B9R1.69 C1=CC(=C(C=C1Br)Cl)I 8228 [0,1,0,0,0,0|2,0,0]=3 121 B9R1.69 C1=CC(=C(C=C1Br)F)Br 5609 [0,1,0,0,0,0|2,0,0]=3 122 B9R1.69 C1=CC(=C(C=C1Br)F)Cl 5073 [0,1,0,0,0,0|2,0,0]=3 123 B9R1.69 C1=CC(=C(C=C1Br)F)Cl 6178 [0,1,0,0,0,0|2,0,0]=3 124 B9R1.69 C1=CC(=C(C=C1Br)F)F 6000 [0,1,0,0,0,0|2,0,0]=3 125 B9R1.69 C1=CC(=C(C=C1Br)F)I 5546 [0,1,0,0,0,0|2,0,0]=3 126 B9R1.69 C1=CC(=C(C=C1Br)F)N 5271 [0,1,0,0,0,0|2,0,0]=3 127 B9R1.69 C1=CC(=C(C=C1Br)F)N 5547 [0,1,0,0,0,0|2,0,0]=3 128 B9R1.69 C1=CC(=C(C=C1Br)F)O 5337 [0,1,0,0,0,0|1,0,0]=2 129 B9R1.69 C1=CC(=C(C=C1Br)N)N 5041 [0,1,0,0,0,0|2,0,0]=3 130 B9R1.69 C1=CC(=C(C=C1Br)N)O 8620 [0,1,0,0,0,0|1,0,0]=2 131 B9R1.69 C1=CC(=C(C=C1Cl)Br)F 6484 [0,1,0,0,0,0|2,0,0]=3 132 B9R1.69 C1=CC(=C(C=C1Cl)Br)N 8533 [0,1,0,0,0,0|2,0,0]=3 133 B9R1.69 C1=CC(=C(C=C1Cl)Cl)Br 6522 [0,1,0,0,0,0|2,0,0]=3 134 B9R1.69 C1=CC(=C(C=C1Cl)Cl)F 5400 [0,1,0,0,0,0|2,0,0]=3 135 B9R1.69 C1=CC(=C(C=C1Cl)Cl)S 6151 [0,1,0,0,0,0|1,1,0]=3 136 B9R1.69 C1=CC(=C(C=C1Cl)F)Br 6177 [0,1,0,0,0,0|2,0,0]=3 137 B9R1.69 C1=CC(=C(C=C1Cl)F)I 9921 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.69 C1=CC(=C(C=C1Cl)F)N 5025 [0,1,0,0,0,0|2,0,0]=3 139 B9R1.69 C1=CC(=C(C=C1Cl)F)O 8240 [0,1,0,0,0,0|1,0,0]=2 140 B9R1.69 C1=CC(=C(C=C1Cl)I)N 5011 [0,1,0,0,0,0|2,0,0]=3 141 B9R1.69 C1=CC(=C(C=C1Cl)N)Br 10527 [0,1,0,0,0,0|2,0,0]=3 142 B9R1.69 C1=CC(=C(C=C1Cl)N)F 5788 [0,1,0,0,0,0|2,0,0]=3 143 B9R1.69 C1=CC(=C(C=C1Cl)N)N 10655 [0,1,0,0,0,0|2,0,0]=3 144 B9R1.69 C1=CC(=C(C=C1F)Cl)Br 9301 [0,1,0,0,0,0|2,0,0]=3 145 B9R1.69 C1=CC(=C(C=C1F)Cl)N 6049 [0,1,0,0,0,0|2,0,0]=3 146 B9R1.69 C1=CC(=C(C=C1F)Cl)S 6413 [0,1,0,0,0,0|1,1,0]=3 147 B9R1.69 C1=CC(=C(C=C1F)F)Cl 6187 [0,1,0,0,0,0|2,0,0]=3 148 B9R1.69 C1=CC(=C(C=C1F)F)I 8762 [0,1,0,0,0,0|2,0,0]=3 149 B9R1.69 C1=CC(=C(C=C1F)F)N 5063 [0,1,0,0,0,0|2,0,0]=3 150 B9R1.69 C1=CC(=C(C=C1F)F)O 10593 [0,1,0,0,0,0|1,0,0]=2 151 B9R1.69 C1=CC(=C(C=C1F)I)N 6566 [0,1,0,0,0,0|2,0,0]=3 152 B9R1.69 C1=CC(=C(C=C1F)N)Br 5466 [0,1,0,0,0,0|2,0,0]=3 153 B9R1.69 C1=CC(=C(C=C1F)N)Cl 8573 [0,1,0,0,0,0|2,0,0]=3 154 B9R1.69 C1=CC(=C(C=C1F)N)F 5391 [0,1,0,0,0,0|2,0,0]=3 155 B9R1.69 C1=CC(=C(C=C1F)N)N 8159 [0,1,0,0,0,0|2,0,0]=3 156 B9R1.69 C1=CC(=C(C=C1F)N)O 9491 [0,1,0,0,0,0|1,0,0]=2 157 B9R1.69 C1=CC(=C(C=C1F)O)Br 6182 [0,1,0,0,0,0|2,0,0]=3 158 B9R1.69 C1=CC(=C(C=C1F)O)N 5456 [0,1,0,0,0,0|2,0,0]=3 159 B9R1.69 C1=CC(=C(C=C1I)Cl)Br 9399 [0,1,0,0,0,0|2,0,0]=3 160 B9R1.69 C1=CC(=C(C=C1I)Cl)F 8917 [0,1,0,0,0,0|2,0,0]=3 161 B9R1.69 C1=CC(=C(C=C1I)Cl)N 5567 [0,1,0,0,0,0|2,0,0]=3 162 B9R1.69 C1=CC(=C(C=C1I)F)Br 6412 [0,1,0,0,0,0|2,0,0]=3 163 B9R1.69 C1=CC(=C(C=C1I)F)F 8933 [0,1,0,0,0,0|2,0,0]=3 164 B9R1.69 C1=CC(=C(C=C1I)F)I 8788 [0,1,0,0,0,0|2,0,0]=3 165 B9R1.69 C1=CC(=C(C=C1I)F)N 5568 [0,1,0,0,0,0|2,0,0]=3 166 B9R1.69 C1=CC(=C(C=C1N)Br)Cl 8804 [0,1,0,0,0,0|2,0,0]=3 167 B9R1.69 C1=CC(=C(C=C1N)Br)F 9837 [0,1,0,0,0,0|2,0,0]=3 168 B9R1.69 C1=CC(=C(C=C1N)Cl)Cl 6584 [0,1,0,0,0,0|2,0,0]=3 169 B9R1.69 C1=CC(=C(C=C1N)Cl)F 6046 [0,1,0,0,0,0|2,0,0]=3 170 B9R1.69 C1=CC(=C(C=C1N)Cl)F 9805 [0,1,0,0,0,0|2,0,0]=3 171 B9R1.69 C1=CC(=C(C=C1N)F)F 6033 [0,1,0,0,0,0|2,0,0]=3 172 B9R1.69 C1=CC(=C(C=C1N)F)O 6473 [0,1,0,0,0,0|1,0,0]=2 173 B9R1.69 C1=CC(=C(C=C1O)F)Cl 6195 [0,1,0,0,0,0|1,0,0]=2 174 B9R1.69 C1=CC(=C(C=C1O)F)F 10058 [0,1,0,0,0,0|1,0,0]=2 175 B9R1.69 C1=CC(=C(C=C1O)N)F 8132 [0,1,0,0,0,0|1,0,0]=2 176 B9R1.69 C1=CC(=NC(=C1Cl)Cl)Cl 8065 [0,1,0,0,0,0|3,0,0]=4 177 B9R1.69 C1=CC(=NC(=C1F)F)F 8652 [0,1,0,0,0,0|3,0,0]=4 178 B9R1.69 CC1=C(C=C(C=C1)Br)Br 8117 [0,1,0,0,0,0|1,0,0]=2 179 B9R1.69 CC1=C(C=C(C=C1)Br)F 5338 [0,1,0,0,0,0|1,0,0]=2 180 B9R1.69 CC1=C(C=C(C=C1)Br)O 8476 [0,1,0,0,0,0|1,0,0]=2 181 B9R1.69 CC1=C(C=C(C=C1)Cl)Br 10285 [0,1,0,0,0,0|1,0,0]=2 182 B9R1.69 CC1=C(C=C(C=C1)Cl)I 8997 [0,1,0,0,0,0|1,0,0]=2 183 B9R1.69 CC1=C(C=C(C=C1)Cl)S 9802 [0,1,0,0,0,0|1,0,0]=2 184 B9R1.69 CC1=C(C=C(C=C1)F)Br 9373 [0,1,0,0,0,0|1,0,0]=2 185 B9R1.69 CC1=C(C=C(C=C1)F)C 6113 [0,1,0,0,0,0|1,0,0]=2 186 B9R1.69 CC1=C(C=C(C=C1)F)N 6050 [0,1,0,0,0,0|1,0,0]=2 187 B9R1.69 CC1=C(C=C(C=C1)N)F 6047 [0,1,0,0,0,0|1,0,0]=2 188 B9R1.69 CC1=C(C=C(C=C1)N)O 10159 [0,1,0,0,0,0|1,0,0]=2 189 B9R1.69 CC1=C(C=CC(=C1)Br)Br 8391 [0,1,0,0,0,0|2,0,0]=3 190 B9R1.69 CC1=C(C=CC(=C1)Br)Cl 5543 [0,1,0,0,0,0|2,0,0]=3 191 B9R1.69 CC1=C(C=CC(=C1)Br)F 6043 [0,1,0,0,0,0|2,0,0]=3 192 B9R1.69 CC1=C(C=CC(=C1)Br)I 10304 [0,1,0,0,0,0|2,0,0]=3 193 B9R1.69 CC1=C(C=CC(=C1)Br)I 6526 [0,1,0,0,0,0|2,0,0]=3 194 B9R1.69 CC1=C(C=CC(=C1)Br)N 9725 [0,1,0,0,0,0|2,0,0]=3 195 B9R1.69 CC1=C(C=CC(=C1)Br)O 5111 [0,1,0,0,0,0|1,0,0]=2 196 B9R1.69 CC1=C(C=CC(=C1)Cl)Br 9792 [0,1,0,0,0,0|2,0,0]=3 197 B9R1.69 CC1=C(C=CC(=C1)Cl)I 8729 [0,1,0,0,0,0|2,0,0]=3 198 B9R1.69 CC1=C(C=CC(=C1)F)Br 5273 [0,1,0,0,0,0|2,0,0]=3 199 B9R1.69 CC1=C(C=CC(=C1)F)Br 6041 [0,1,0,0,0,0|2,0,0]=3 200 B9R1.69 CC1=C(C=CC(=C1)F)F 5294 [0,1,0,0,0,0|2,0,0]=3 201 B9R1.69 CC1=C(C=CC(=C1)F)F 8711 [0,1,0,0,0,0|2,0,0]=3 202 B9R1.69 CC1=C(C=CC(=C1)F)I 5554 [0,1,0,0,0,0|2,0,0]=3 203 B9R1.69 CC1=C(C=CC(=C1)F)N 5346 [0,1,0,0,0,0|2,0,0]=3 204 B9R1.69 CC1=C(C=CC(=C1)I)F 6231 [0,1,0,0,0,0|2,0,0]=3 205 B9R1.69 CC1=C(C=CC(=C1)I)N 5381 [0,1,0,0,0,0|2,0,0]=3 206 B9R1.69 CC1=C(C=CC(=C1)N)Br 10225 [0,1,0,0,0,0|2,0,0]=3 207 B9R1.69 CC1=C(C=CC(=C1)N)F 5275 [0,1,0,0,0,0|2,0,0]=3 208 B9R1.69 CC1=C(C=CC(=C1)O)Br 10033 [0,1,0,0,0,0|1,0,0]=2 209 B9R1.69 CC1=C(C=CC(=C1)O)F 6307 [0,1,0,0,0,0|1,0,0]=2 210 B9R1.69 CC1=C(C=CC(=C1)O)N 10166 [0,1,0,0,0,0|1,0,0]=2 211 B9R1.69 CC1=C(C=CC(=N1)Br)Br 10157 [0,1,0,0,0,0|3,0,0]=4 212 B9R1.69 CC1=C(C=CC(=N1)Cl)Br 5242 [0,1,0,0,0,0|3,0,0]=4 213 B9R1.69 CC1=C(C=CC(=N1)Cl)F 5081 [0,1,0,0,0,0|3,0,0]=4 214 B9R1.69 CC1=C(C=CC(=N1)Cl)N 10002 [0,1,0,0,0,0|3,0,0]=4 215 B9R1.69 CC1=C(C=CC(=N1)F)Br 5681 [0,1,0,0,0,0|3,0,0]=4 216 B9R1.69 CC1=C(C=CC(=N1)F)N 8257 [0,1,0,0,0,0|3,0,0]=4 217 B9R1.69 CC1=C(C=CC(=N1)N)Br 5101 [0,1,0,0,0,0|3,0,0]=4 218 B9R1.69 CC1=C(C=CC(=N1)N)Cl C2896 [0,1,0,0,0,0|3,0,0]=4 219 B9R1.69 CC1=CC(=C(C=C1)Br)Cl 8156 [0,1,0,0,0,0|1,0,0]=2 220 B9R1.69 CC1=CC(=C(C=C1)Br)F 6101 [0,1,0,0,0,0|1,0,0]=2 221 B9R1.69 CC1=CC(=C(C=C1)C)Br 8829 [0,1,0,0,0,0|1,0,0]=2 222 B9R1.69 CC1=CC(=C(C=C1)C)I 8028 [0,1,0,0,0,0|1,0,0]=2 223 B9R1.69 CC1=CC(=C(C=C1)C)N 5322 [0,1,0,0,0,0|1,0,0]=2 224 B9R1.69 CC1=CC(=C(C=C1)C)O 6763 [0,1,0,0,0,0|1,0,0]=2 225 B9R1.69 CC1=CC(=C(C=C1)Cl)Br 5106 [0,1,0,0,0,0|1,0,0]=2 226 B9R1.69 CC1=CC(=C(C=C1)F)Br 6183 [0,1,0,0,0,0|1,0,0]=2 227 B9R1.69 CC1=CC(=C(C=C1)F)Cl 6423 [0,1,0,0,0,0|1,0,0]=2 228 B9R1.69 CC1=CC(=C(C=C1)F)I 6427 [0,1,0,0,0,0|1,0,0]=2 229 B9R1.69 CC1=CC(=C(C=C1)F)N 6577 [0,1,0,0,0,0|1,0,0]=2 230 B9R1.69 CC1=CC(=C(C=C1)F)O 5573 [0,1,0,0,0,0|1,0,0]=2 231 B9R1.69 CC1=CC(=C(C=C1)I)Br 5051 [0,1,0,0,0,0|1,0,0]=2 232 B9R1.69 CC1=CC(=C(C=C1)I)C 9318 [0,1,0,0,0,0|1,0,0]=2 233 B9R1.69 CC1=CC(=C(C=C1)N)F 6048 [0,1,0,0,0,0|1,0,0]=2 234 B9R1.69 CC1=CC(=C(C=C1)N)N 6659 [0,1,0,0,0,0|1,0,0]=2 235 B9R1.69 CC1=CC(=C(C=C1)O)Cl 10579 [0,1,0,0,0,0|0,0,0]=1 236 B9R1.69 CC1=CC(=C(C=C1)O)N 8098 [0,1,0,0,0,0|0,0,0]=1 237 B9R1.69 CC1=CC(=C(N=C1)Br)N 8112 [0,1,0,0,0,0|2,0,0]=3 238 B9R1.69 CC1=CC(=C(N=C1)Cl)Br 8055 [0,1,0,0,0,0|2,0,0]=3 239 B9R1.69 CC1=CC(=C(N=C1)Cl)F 10553 [0,1,0,0,0,0|2,0,0]=3 240 B9R1.69 CC1=CC(=C(N=C1)Cl)N 8400 [0,1,0,0,0,0|2,0,0]=3 241 B9R1.69 CC1=CC(=C(N=C1)F)Br 9709 [0,1,0,0,0,0|2,0,0]=3 242 B9R1.69 CC1=CC(=CN=C1Br)Br 5235 [0,1,0,0,0,0|3,0,0]=4 243 B9R1.69 CC1=CC(=CN=C1Cl)N 9387 [0,1,0,0,0,0|3,0,0]=4 244 B9R1.69 CC1=CC(=CN=C1F)Br 5236 [0,1,0,0,0,0|3,0,0]=4 245 B9R1.69 CC1=CC(=CN=C1N)Br 5024 [0,1,0,0,0,0|3,0,0]=4 246 B9R1.69 CC1=CC(=CN=C1N)I 6628 [0,1,0,0,0,0|3,0,0]=4 247 B9R1.69 CC1=CC(=NC=C1Br)Br 8455 [0,1,0,0,0,0|3,0,0]=4 248 B9R1.69 CC1=NC(=C(C=C1)Br)C 6834 [0,1,0,0,0,0|2,0,0]=3 249 B9R1.69 CC1=NC(=C(C=C1)N)Br 6720 [0,1,0,0,0,0|2,0,0]=3 250 B9R1.69 CC1=NC(=C(C=C1)N)Cl 8825 [0,1,0,0,0,0|2,0,0]=3 251 B9R1.69 Cc1ccc(c(c1)O)N A0481 [0,1,0,0,0,0|1,0,0]=2 252 B9R1.69 c1cc(c(cc1Cl)N)N C0263 [0,1,0,0,0,0|2,0,0]=3 253 B7R0.6 C(=C/C(=O)O)/C(=O)N 5513 [0,0,1,0,0,0|3,0,0]=4 254 B7R1.2 C1=C(SC(=C1)Cl)Cl 6132 [0,0,0,0,1,0|3,0,0]=4 255 B7R1.2 CC1=CC(=NN1)C 10496 [0,0,0,0,1,0|3,0,0]=4 256 B7R1.2 CC1=CC(=NO1)C 9870 [0,0,0,0,1,0|3,0,0]=4 257 B7R1.2 CC1=CC(=O)NO1 9631 [0,0,0,0,1,0|2,0,1]=4 258 B7R1.2 CC1=CC=C(S1)Br 6601 [0,0,0,0,1,0|2,0,0]=3 259 B7R1.2 CC1=CSC(=N1)C 6124 [0,0,0,0,1,0|3,0,0]=4 260 B7R1.2 CC1=CSC(=N1)N 9596 [0,0,0,0,1,0|3,0,0]=4 261 B7R1.2 CN1C=CC(=N1)N 6616 [0,0,0,0,1,0|3,0,0]=4 262 B7R1.2 CN1C=CC(=N1)N 9450 [0,0,0,0,1,0|3,0,0]=4 263 B7R1.2 Cc1cc(n[nH]1)C D0196 [0,0,0,0,1,0|3,0,0]=4 264 B7R1.2 Cc1csc(n1)C D0198 [0,0,0,0,1,0|3,0,0]=4 265 B6R1.1 C1=CC=NC=C1 8793 [2,0,0,0,0,0|1,0,0]=3 266 B6R1.1 C1=CC=NN=C1 6802 [2,0,0,0,0,0|2,0,0]=4 267 B6R1.1 C1=CN=CC=N1 6118 [2,0,0,0,0,0|2,0,0]=4 268 B6R1.1 C1=CN=CC=N1 8999 [2,0,0,0,0,0|2,0,0]=4 269 B8R1.2 C1=CC(=CN=C1)CCl 5990 [1,1,0,0,0,0|1,0,0]=3 270 B8R1.2 C1=CC(=CN=C1)CN 10146 [1,1,0,0,0,0|1,0,0]=3 271 B8R1.2 C1=CC(=CN=C1)CO 8600 [1,1,0,0,0,0|1,0,0]=3 272 B8R1.2 C1=CC=C(C=C1)NN 6820 [1,1,0,0,0,0|1,0,0]=3 273 B8R1.2 C1=CC=NC(=C1)CCl 10463 [1,1,0,0,0,0|1,0,0]=3 274 B8R1.2 C1=CC=NC(=C1)CN 5496 [1,1,0,0,0,0|1,0,0]=3 275 B8R1.2 C1=CN=CC=C1CCl 8451 [1,1,0,0,0,0|1,0,0]=3 276 B8R1.2 COC1=CC=CC=N1 9619 [1,1,0,0,0,0|1,0,0]=3 277 B8R1.2 COC1=CC=NC=C1 10117 [1,1,0,0,0,0|1,0,0]=3 278 B8R1.2 c1ccnc(c1)C=O P0092 [1,1,0,0,0,0|1,0,1]=4 279 B8R1.2 c1cnccc1C=O P0128 [1,1,0,0,0,0|1,0,1]=4 280 B8R1.2 c1cnccc1C=O P0128 [1,1,0,0,0,0|1,0,1]=4 281 B8R1.4 C1=C(C=NC=C1Br)Br 5217 [1,1,0,0,0,0|2,0,0]=4 282 B8R1.4 C1=C(C=NC=C1Br)F 5671 [1,1,0,0,0,0|2,0,0]=4 283 B8R1.4 C1=C(C=NC=C1Br)O 10431 [1,1,0,0,0,0|1,0,0]=3 284 B8R1.4 C1=C(C=NC=C1Cl)Cl 10175 [1,1,0,0,0,0|2,0,0]=4 285 B8R1.4 C1=C(C=NC=C1Cl)F 8265 [1,1,0,0,0,0|2,0,0]=4 286 B8R1.4 C1=C(C=NC=C1F)F 5685 [1,1,0,0,0,0|2,0,0]=4 287 B8R1.4 C1=C(C=NC=C1F)N 6698 [1,1,0,0,0,0|2,0,0]=4 288 B8R1.4 C1=CC(=CC(=C1)Br)Br 5153 [1,1,0,0,0,0|1,0,0]=3 289 B8R1.4 C1=CC(=CC(=C1)Br)N 8582 [1,1,0,0,0,0|1,0,0]=3 290 B8R1.4 C1=CC(=CC(=C1)Br)N 8583 [1,1,0,0,0,0|1,0,0]=3 291 B8R1.4 C1=CC(=CC(=C1)Br)S 5283 [1,1,0,0,0,0|0,1,0]=3 292 B8R1.4 C1=CC(=CC(=C1)Cl)O 10156 [1,1,0,0,0,0|0,0,0]=2 293 B8R1.4 C1=CC(=CC(=C1)F)F 6015 [1,1,0,0,0,0|1,0,0]=3 294 B8R1.4 C1=CC(=CC(=C1)I)Br 5550 [1,1,0,0,0,0|1,0,0]=3 295 B8R1.4 C1=CC(=CC(=C1)I)F 8911 [1,1,0,0,0,0|1,0,0]=3 296 B8R1.4 C1=CC(=CC(=C1)I)O 9915 [1,1,0,0,0,0|0,0,0]=2 297 B8R1.4 C1=CC(=NC(=C1)Br)Br 5221 [1,1,0,0,0,0|2,0,0]=4 298 B8R1.4 C1=CC(=NC(=C1)Br)Cl 8069 [1,1,0,0,0,0|2,0,0]=4 299 B8R1.4 C1=CC(=NC(=C1)Cl)F 5672 [1,1,0,0,0,0|2,0,0]=4 300 B8R1.4 C1=CC(=NC(=C1)Cl)N 5316 [1,1,0,0,0,0|2,0,0]=4 301 B8R1.4 C1=CC(=NC(=C1)F)F 10361 [1,1,0,0,0,0|2,0,0]=4 302 B8R1.4 C1=CC(=NC(=C1)F)N 5229 [1,1,0,0,0,0|2,0,0]=4 303 B8R1.4 C1=CC(=NC(=C1)N)N 6752 [1,1,0,0,0,0|2,0,0]=4 304 B8R1.4 C1=CC(=O)NC(=C1)Cl 10464 [1,1,0,0,0,0|1,0,1]=4 305 B8R1.4 C1=CC(=O)NC(=C1)F 6665 [1,1,0,0,0,0|1,0,1]=4 306 B8R1.4 C1=CN=C(C=C1Br)Br 5241 [1,1,0,0,0,0|2,0,0]=4 307 B8R1.4 C1=CN=C(C=C1Br)Cl 8808 [1,1,0,0,0,0|2,0,0]=4 308 B8R1.4 C1=CN=C(C=C1Br)F 6500 [1,1,0,0,0,0|2,0,0]=4 309 B8R1.4 C1=CN=C(C=C1Br)N 8459 [1,1,0,0,0,0|2,0,0]=4 310 B8R1.4 C1=CN=C(C=C1Cl)Cl 5661 [1,1,0,0,0,0|2,0,0]=4 311 B8R1.4 C1=CN=C(C=C1I)F 8362 [1,1,0,0,0,0|2,0,0]=4 312 B8R1.4 C1=CN=C(C=C1N)Br 9320 [1,1,0,0,0,0|2,0,0]=4 313 B8R1.4 C1=CN=C(C=C1N)Cl 5451 [1,1,0,0,0,0|2,0,0]=4 314 B8R1.4 C1=CNC(=O)C=C1O 10547 [1,1,0,0,0,0|1,0,0]=3 315 B8R1.4 CC1=CC(=CC=C1)Br 9432 [1,1,0,0,0,0|0,0,0]=2 316 B8R1.4 CC1=CC(=CC=C1)I 8771 [1,1,0,0,0,0|0,0,0]=2 317 B8R1.4 CC1=CC(=CN=C1)N 8645 [1,1,0,0,0,0|1,0,0]=3 318 B8R1.4 CC1=CC(=NC=C1)Br 9012 [1,1,0,0,0,0|1,0,0]=3 319 B8R1.4 CC1=CC(=NC=C1)Cl 5069 [1,1,0,0,0,0|1,0,0]=3 320 B8R1.4 CC1=CC(=NC=C1)F 5561 [1,1,0,0,0,0|1,0,0]=3 321 B8R1.4 CC1=CC(=NC=C1)F 6308 [1,1,0,0,0,0|1,0,0]=3 322 B8R1.4 CC1=NC(=CC=C1)Br 5660 [1,1,0,0,0,0|1,0,0]=3 323 B8R1.4 CC1=NC(=CC=C1)Cl 5070 [1,1,0,0,0,0|1,0,0]=3 324 B8R1.4 CC1=NC(=CC=C1)F 9658 [1,1,0,0,0,0|1,0,0]=3 325 B8R1.4 CC1=NC(=NC=C1)Br B1240 [1,1,0,0,0,0|2,0,0]=4 326 B8R1.4 CC1=NC(=NC=C1)Cl 5673 [1,1,0,0,0,0|2,0,0]=4 327 B8R1.4 CC1=NC=CC(=C1)N 6613 [1,1,0,0,0,0|1,0,0]=3 328 B8R1.4 Cc1ccnc(n1)N A0244 [1,1,0,0,0,0|2,0,0]=4 329 B8R1.4 Cc1ccnc(n1)O H0124 [1,1,0,0,0,0|2,0,0]=4 330 B8R1.4 c1c(ncnc1O)O D0129 [1,1,0,0,0,0|2,0,0]=4 331 B8R1.4 c1cc(cc(c1)Br)F B0235 [1,1,0,0,0,0|1,0,0]=3 332 B8R1.5 C1=CC(=C(N=C1)Br)Br 9457 [1,1,0,0,0,0|2,0,0]=4 333 B8R1.5 C1=CC(=C(N=C1)Cl)Br 9039 [1,1,0,0,0,0|2,0,0]=4 334 B8R1.5 C1=CC(=C(N=C1)Cl)Cl 5463 [1,1,0,0,0,0|2,0,0]=4 335 B8R1.5 C1=CC(=C(N=C1)Cl)Cl 6656 [1,1,0,0,0,0|2,0,0]=4 336 B8R1.5 C1=CC(=C(N=C1)Cl)F 5206 [1,1,0,0,0,0|2,0,0]=4 337 B8R1.5 C1=CC(=C(N=C1)Cl)I 8613 [1,1,0,0,0,0|2,0,0]=4 338 B8R1.5 C1=CC(=C(N=C1)Cl)N 6694 [1,1,0,0,0,0|2,0,0]=4 339 B8R1.5 C1=CC(=C(N=C1)Cl)O 6690 [1,1,0,0,0,0|1,0,0]=3 340 B8R1.5 C1=CC(=C(N=C1)F)Cl 8500 [1,1,0,0,0,0|2,0,0]=4 341 B8R1.5 C1=CC(=C(N=C1)F)F 5471 [1,1,0,0,0,0|2,0,0]=4 342 B8R1.5 C1=CC(=C(N=C1)N)Br 6715 [1,1,0,0,0,0|2,0,0]=4 343 B8R1.5 C1=CC(=C(N=C1)N)Cl 10389 [1,1,0,0,0,0|2,0,0]=4 344 B8R1.5 C1=CC(=C(N=C1)N)F 10619 [1,1,0,0,0,0|2,0,0]=4 345 B8R1.5 C1=CC(=C(N=C1)N)N 9712 [1,1,0,0,0,0|2,0,0]=4 346 B8R1.5 C1=CC=C(C(=C1)Br)Br 5382 [1,1,0,0,0,0|1,0,0]=3 347 B8R1.5 C1=CC=C(C(=C1)Br)I 6003 [1,1,0,0,0,0|1,0,0]=3 348 B8R1.5 C1=CC=C(C(=C1)Cl)Br 9010 [1,1,0,0,0,0|1,0,0]=3 349 B8R1.5 C1=CC=C(C(=C1)Cl)Cl 5752 [1,1,0,0,0,0|1,0,0]=3 350 B8R1.5 C1=CC=C(C(=C1)F)Br 6002 [1,1,0,0,0,0|1,0,0]=3 351 B8R1.5 C1=CC=C(C(=C1)F)Cl 10274 [1,1,0,0,0,0|1,0,0]=3 352 B8R1.5 C1=CC=C(C(=C1)F)Cl 6006 [1,1,0,0,0,0|1,0,0]=3 353 B8R1.5 C1=CC=C(C(=C1)F)F 6007 [1,1,0,0,0,0|1,0,0]=3 354 B8R1.5 C1=CC=C(C(=C1)F)F 8369 [1,1,0,0,0,0|1,0,0]=3 355 B8R1.5 C1=CC=C(C(=C1)N)Br 5510 [1,1,0,0,0,0|1,0,0]=3 356 B8R1.5 C1=CC=C(C(=C1)N)F 6030 [1,1,0,0,0,0|1,0,0]=3 357 B8R1.5 C1=CC=C(C(=C1)N)I 9774 [1,1,0,0,0,0|1,0,0]=3 358 B8R1.5 C1=CC=C(C(=C1)O)Br 8498 [1,1,0,0,0,0|0,0,0]=2 359 B8R1.5 C1=CN=CC(=C1Br)Cl 6714 [1,1,0,0,0,0|2,0,0]=4 360 B8R1.5 C1=CN=CC(=C1Cl)Cl 6626 [1,1,0,0,0,0|2,0,0]=4 361 B8R1.5 C1=CN=CC(=C1Cl)F 6867 [1,1,0,0,0,0|2,0,0]=4 362 B8R1.5 C1=CN=CC(=C1I)F 8281 [1,1,0,0,0,0|2,0,0]=4 363 B8R1.5 C1=CN=CC(=C1N)Br 9751 [1,1,0,0,0,0|2,0,0]=4 364 B8R1.5 C1=CN=CC(=C1N)N 9425 [1,1,0,0,0,0|2,0,0]=4 365 B8R1.5 C1=CNC=C(C1=O)N 9533 [1,1,0,0,0,0|1,0,1]=4 366 B8R1.5 CC1=C(C=CC=N1)Br 5675 [1,1,0,0,0,0|1,0,0]=3 367 B8R1.5 CC1=C(C=CC=N1)N 10626 [1,1,0,0,0,0|1,0,0]=3 368 B8R1.5 CC1=C(C=CN=C1)Cl 9936 [1,1,0,0,0,0|1,0,0]=3 369 B8R1.5 CC1=C(C=NC=C1)Br 10003 [1,1,0,0,0,0|1,0,0]=3 370 B8R1.5 CC1=C(N=CC=C1)Br 8086 [1,1,0,0,0,0|1,0,0]=3 371 B8R1.5 CC1=CC=CC=C1Cl 5808 [1,1,0,0,0,0|0,0,0]=2 372 B8R1.5 CC1=CC=CC=C1I 5298 [1,1,0,0,0,0|0,0,0]=2 373 B8R1.5 CC1=NC=CN=C1C 10470 [1,1,0,0,0,0|2,0,0]=4 374 B8R1.5 c1ccc(c(c1)N)F F0011 [1,1,0,0,0,0|1,0,0]=3 375 B8R1.1 CC1=NC(=CS1)CO M0721 [0,1,0,0,1,0|2,0,0]=4 376 B8R1.1 CC1=NOC(=C1)CO M0741 [0,1,0,0,1,0|2,0,0]=4 377 B10R1.1 C1=CC(=CC=C1CC#N)Cl 6796 [0,2,0,0,0,0|1,0,0]=3 378 B10R1.1 C1=CC(=CC=C1CC#N)F 10336 [0,2,0,0,0,0|1,0,0]=3 379 B10R1.1 C1=CC(=CC=C1CCCl)F 6441 [0,2,0,0,0,0|1,0,0]=3 380 B10R1.1 C1=CC(=CC=C1CCN)Br 8160 [0,2,0,0,0,0|1,0,0]=3 381 B10R1.1 C1=CC(=CC=C1CCN)Cl 6418 [0,2,0,0,0,0|1,0,0]=3 382 B10R1.1 C1=CC(=CC=C1CCN)F 10276 [0,2,0,0,0,0|1,0,0]=3 383 B10R1.1 C1=CC(=CC=C1CCO)F 9475 [0,2,0,0,0,0|1,0,0]=3 384 B10R1.1 C1=CC(=CC=C1CCO)O 8495 [0,2,0,0,0,0|0,0,0]=2 385 B10R1.1 CC1=CC=C(C=C1)CCN 6556 [0,2,0,0,0,0|1,0,0]=3 386 B10R1.3 C1=CC(=CC=C1C=O)C#N 5691 [0,2,0,0,0,0|0,0,2]=4 387 B10R1.3 C1=CC(=CC=C1C=O)C#N 5751 [0,2,0,0,0,0|0,0,2]=4 388 B10R1.3 C1=CC(=CC=C1CN)C#N C0297 [0,2,0,0,0,0|1,0,0]=3 389 B10R1.3 CCC1=CC=C(C=C1)C#C 10015 [0,2,0,0,0,0|1,0,0]=3 390 B10R1.3 COC1=CC=C(C=C1)C#C 9950 [0,2,0,0,0,0|0,0,1]=3 391 B10R1.3 COC1=CC=C(C=C1)C=O 8125 [0,2,0,0,0,0|0,0,1]=3 392 B10R1.3 COC1=CC=C(C=C1)CN 8511 [0,2,0,0,0,0|0,0,0]=2 393 B10R1.3 COC1=NC=C(C=C1)C#N 10024 [0,2,0,0,0,0|1,0,1]=4 394 B10R1.3 COC1=NC=C(C=C1)C=O 5473 [0,2,0,0,0,0|1,0,1]=4 395 B10R1.3 c1cc(ccc1C=O)C#N F0081 [0,2,0,0,0,0|0,0,2]=4 396 B10R1.13 B(C1=CC=C(C=C1)Br)(O)O 5360 [0,2,0,0,0,0|1,0,0]=3 397 B10R1.13 B(C1=CC=C(C=C1)C)(O)O 5425 [0,2,0,0,0,0|0,0,0]=2 398 B10R1.13 B(C1=CC=C(C=C1)C)(O)O 9510 [0,2,0,0,0,0|0,0,0]=2 399 B10R1.13 B(C1=CC=C(C=C1)F)(O)O 6296 [0,2,0,0,0,0|1,0,0]=3 400 B10R1.13 B(C1=CC=C(C=C1)O)(O)O 6782 [0,2,0,0,0,0|1,0,0]=3 401 B10R1.13 B(C1=CN=C(C=C1)F)(O)O 5214 [0,2,0,0,0,0|2,0,0]=4 402 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl 8212 [0,2,0,0,0,0|1,0,1]=4 403 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F 9898 [0,2,0,0,0,0|1,0,1]=4 404 B10R1.13 C1=CC(=CC=C1C(=O)O)Cl 6827 [0,2,0,0,0,0|1,0,0]=3 405 B10R1.13 C1=CC(=CC=C1C(=O)O)F 5362 [0,2,0,0,0,0|1,0,0]=3 406 B10R1.13 C1=CC(=CC=C1C(=O)O)F 8250 [0,2,0,0,0,0|1,0,0]=3 407 B10R1.13 C1=CC(=CC=C1C(=S)N)Cl 10635 [0,2,0,0,0,0|1,0,1]=4 408 B10R1.13 C1=CC(=CC=C1C(F)F)Br 6597 [0,2,0,0,0,0|1,0,0]=3 409 B10R1.13 C1=CC(=CC=C1C(F)F)F 10624 [0,2,0,0,0,0|1,0,0]=3 410 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])Br 10151 [0,2,0,0,0,0|1,0,1]=4 411 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])F 6117 [0,2,0,0,0,0|1,0,1]=4 412 B10R1.13 C1=CC(=CC=C1[N+](=O)[O-])[O-] 10257 [0,2,0,0,0,0|1,0,1]=4 413 B10R1.13 C1=CC(=NC=C1C(=O)O)Br 6594 [0,2,0,0,0,0|2,0,0]=4 414 B10R1.13 C1=CC(=NC=C1C(=O)O)F 8791 [0,2,0,0,0,0|2,0,0]=4 415 B10R1.13 C1=CC(=NC=C1C(=O)O)N 5220 [0,2,0,0,0,0|2,0,0]=4 416 B10R1.13 C1=CC(=NC=C1Cl)C(=O)O 9363 [0,2,0,0,0,0|2,0,0]=4 417 B10R1.13 C1=CC(=NC=C1N)C(=O)O 5702 [0,2,0,0,0,0|2,0,0]=4 418 B10R1.13 C1=CC(=O)NC=C1C(=O)O 9694 [0,2,0,0,0,0|2,0,0]=4 419 B10R1.13 C1=C[N+](=CC=C1C(=O)O)[O-] 8865 [0,2,0,0,0,0|2,0,0]=4 420 B10R1.13 CC(=O)C1=CC=C(C=C1)I 9277 [0,2,0,0,0,0|1,0,0]=3 421 B10R1.13 CC(=O)C1=CC=C(C=C1)O 8298 [0,2,0,0,0,0|0,0,0]=2 422 B10R1.13 CC(=O)C1=CN=C(C=C1)Cl 9976 [0,2,0,0,0,0|2,0,0]=4 423 B10R1.13 CC(C1=CC=C(C=C1)F)O 6019 [0,2,0,0,0,0|1,0,0]=3 424 B10R1.13 CC1=CC=C(C=C1)C(=O)O 9874 [0,2,0,0,0,0|0,0,0]=2 425 B10R1.13 CC1=NC=C(N=C1)C(=O)O 9695 [0,2,0,0,0,0|2,0,0]=4 426 B10R1.13 CN(C)C1=CC=C(C=C1)F 10045 [0,2,0,0,0,0|1,0,0]=3 427 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] N0068 [0,2,0,0,0,0|0,0,1]=3 428 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] N0068 [0,2,0,0,0,0|0,0,1]=3 429 B10R1.13 c1cc(ccc1[N+](=O)[O-])O N0023 [0,2,0,0,0,0|1,0,0]=3 430 B10R1.25 C1=CC(=C(C=C1Br)Cl)C#N 8523 [0,2,0,0,0,0|1,0,1]=4 431 B10R1.25 C1=CC(=C(C=C1Br)F)C#N 5335 [0,2,0,0,0,0|1,0,1]=4 432 B10R1.25 C1=CC(=C(C=C1Br)F)CBr 6181 [0,2,0,0,0,0|1,0,0]=3 433 B10R1.25 C1=CC(=C(C=C1Br)F)CN 8039 [0,2,0,0,0,0|1,0,0]=3 434 B10R1.25 C1=CC(=C(C=C1Br)N)C#N 10495 [0,2,0,0,0,0|1,0,1]=4 435 B10R1.25 C1=CC(=C(C=C1Br)O)C#N 8623 [0,2,0,0,0,0|1,0,1]=4 436 B10R1.25 C1=CC(=C(C=C1Cl)Br)C#N 9719 [0,2,0,0,0,0|1,0,1]=4 437 B10R1.25 C1=CC(=C(C=C1Cl)Cl)NN 9013 [0,2,0,0,0,0|2,0,0]=4 438 B10R1.25 C1=CC(=C(C=C1Cl)F)CBr 5211 [0,2,0,0,0,0|1,0,0]=3 439 B10R1.25 C1=CC(=C(C=C1Cl)F)CO 9790 [0,2,0,0,0,0|1,0,0]=3 440 B10R1.25 C1=CC(=C(C=C1Cl)F)NN 5309 [0,2,0,0,0,0|2,0,0]=4 441 B10R1.25 C1=CC(=C(C=C1F)Br)C=O 5308 [0,2,0,0,0,0|1,0,1]=4 442 B10R1.25 C1=CC(=C(C=C1F)Cl)C#N 8906 [0,2,0,0,0,0|1,0,1]=4 443 B10R1.25 C1=CC(=C(C=C1F)Cl)C#N 9254 [0,2,0,0,0,0|1,0,1]=4 444 B10R1.25 C1=CC(=C(C=C1F)Cl)CN 6194 [0,2,0,0,0,0|1,0,0]=3 445 B10R1.25 C1=CC(=C(C=C1F)F)C#N 5162 [0,2,0,0,0,0|1,0,1]=4 446 B10R1.25 C1=CC(=C(C=C1F)F)C=O 8215 [0,2,0,0,0,0|1,0,1]=4 447 B10R1.25 C1=CC(=C(C=C1F)F)CBr 10356 [0,2,0,0,0,0|1,0,0]=3 448 B10R1.25 C1=CC(=C(C=C1F)F)CCl 10529 [0,2,0,0,0,0|1,0,0]=3 449 B10R1.25 C1=CC(=C(C=C1F)F)CN 5064 [0,2,0,0,0,0|1,0,0]=3 450 B10R1.25 C1=CC(=C(C=C1F)F)CO 5619 [0,2,0,0,0,0|1,0,0]=3 451 B10R1.25 C1=CC(=C(C=C1F)F)NN 5631 [0,2,0,0,0,0|2,0,0]=4 452 B10R1.25 C1=CC(=C(C=C1N)Br)C#N 10552 [0,2,0,0,0,0|1,0,1]=4 453 B10R1.25 C1=CC(=C(C=C1N)Cl)C#N 5725 [0,2,0,0,0,0|1,0,1]=4 454 B10R1.25 C1=CC(=C(C=C1N)F)C#N 8878 [0,2,0,0,0,0|1,0,1]=4 455 B10R1.25 C1=CC(=C(C=C1O)F)C#N 5126 [0,2,0,0,0,0|0,0,1]=3 456 B10R1.25 C1=CC(=C(C=C1O)O)C=O 10275 [0,2,0,0,0,0|0,0,1]=3 457 B10R1.25 CC1=C(C=CC(=C1)Br)C#N 9732 [0,2,0,0,0,0|1,0,1]=4 458 B10R1.25 CC1=C(C=CC(=C1)Br)C=O 9443 [0,2,0,0,0,0|1,0,1]=4 459 B10R1.25 CC1=C(C=CC(=C1)F)C#N 8797 [0,2,0,0,0,0|1,0,1]=4 460 B10R1.25 CC1=CC(=C(C=C1)C#N)F 6654 [0,2,0,0,0,0|1,0,0]=3 461 B10R1.25 CC1=CC(=C(C=C1)OC)I 6862 [0,2,0,0,0,0|0,0,0]=2 462 B10R1.25 COC1=C(C=C(C=C1)Br)O 6683 [0,2,0,0,0,0|1,0,0]=3 463 B10R1.25 COC1=C(C=C(C=C1)Cl)Br 6521 [0,2,0,0,0,0|1,0,0]=3 464 B10R1.25 COC1=C(C=C(C=C1)Cl)I 6532 [0,2,0,0,0,0|1,0,0]=3 465 B10R1.25 COC1=C(C=C(C=C1)F)Br 6127 [0,2,0,0,0,0|1,0,0]=3 466 B10R1.25 COC1=C(C=C(C=C1)F)Cl 9547 [0,2,0,0,0,0|1,0,0]=3 467 B10R1.25 COC1=C(C=C(C=C1)F)F 5613 [0,2,0,0,0,0|1,0,0]=3 468 B10R1.25 COC1=C(C=C(C=C1)F)O 6489 [0,2,0,0,0,0|1,0,0]=3 469 B10R1.25 COC1=C(C=C(C=C1)N)Br 9331 [0,2,0,0,0,0|1,0,0]=3 470 B10R1.25 COC1=C(C=C(C=C1)N)F 5654 [0,2,0,0,0,0|1,0,0]=3 471 B10R1.25 COC1=C(C=C(C=C1)N)I 10230 [0,2,0,0,0,0|1,0,0]=3 472 B10R1.25 COC1=C(C=C(C=N1)Br)Br 9537 [0,2,0,0,0,0|2,0,0]=4 473 B10R1.25 COC1=C(C=C(C=N1)Cl)Br 6646 [0,2,0,0,0,0|2,0,0]=4 474 B10R1.25 COC1=NC=C(C=C1N)Br 9588 [0,2,0,0,0,0|2,0,0]=4 475 B10R1.25 Cc1cc(ccc1CN)F F0029 [0,2,0,0,0,0|1,0,0]=3 476 B10R1.25 c1cc(c(cc1F)F)C=O D0156 [0,2,0,0,0,0|1,0,1]=4 477 B10R1.176 C1=CC(=C(C=C1C#N)Br)Cl 6640 [0,2,0,0,0,0|1,0,1]=4 478 B10R1.176 C1=CC(=C(C=C1C#N)Cl)Br 6661 [0,2,0,0,0,0|1,0,1]=4 479 B10R1.176 C1=CC(=C(C=C1C#N)Cl)F 6192 [0,2,0,0,0,0|1,0,1]=4 480 B10R1.176 C1=CC(=C(C=C1C#N)Cl)N 6638 [0,2,0,0,0,0|1,0,1]=4 481 B10R1.176 C1=CC(=C(C=C1C#N)F)Cl 6471 [0,2,0,0,0,0|1,0,1]=4 482 B10R1.176 C1=CC(=C(C=C1C#N)F)F 6081 [0,2,0,0,0,0|1,0,1]=4 483 B10R1.176 C1=CC(=C(C=C1C#N)F)I 9562 [0,2,0,0,0,0|1,0,1]=4 484 B10R1.176 C1=CC(=C(C=C1C#N)F)N 5472 [0,2,0,0,0,0|1,0,1]=4 485 B10R1.176 C1=CC(=C(C=C1C#N)I)N 5523 [0,2,0,0,0,0|1,0,1]=4 486 B10R1.176 C1=CC(=C(C=C1C#N)N)Cl 8642 [0,2,0,0,0,0|1,0,1]=4 487 B10R1.176 C1=CC(=C(C=C1C#N)N)F 10652 [0,2,0,0,0,0|1,0,1]=4 488 B10R1.176 C1=CC(=C(C=C1C=O)Br)F 5548 [0,2,0,0,0,0|1,0,1]=4 489 B10R1.176 C1=CC(=C(C=C1C=O)Cl)Br 9404 [0,2,0,0,0,0|1,0,1]=4 490 B10R1.176 C1=CC(=C(C=C1C=O)Cl)F 8322 [0,2,0,0,0,0|1,0,1]=4 491 B10R1.176 C1=CC(=C(C=C1C=O)F)Br 9383 [0,2,0,0,0,0|1,0,1]=4 492 B10R1.176 C1=CC(=C(C=C1C=O)F)F 5614 [0,2,0,0,0,0|1,0,1]=4 493 B10R1.176 C1=CC(=C(C=C1C=O)F)O 9932 [0,2,0,0,0,0|0,0,1]=3 494 B10R1.176 C1=CC(=C(C=C1C=O)O)O 6767 [0,2,0,0,0,0|0,0,1]=3 495 B10R1.176 C1=CC(=C(C=C1CBr)Cl)Cl 6739 [0,2,0,0,0,0|1,0,0]=3 496 B10R1.176 C1=CC(=C(C=C1CBr)F)Cl 6576 [0,2,0,0,0,0|1,0,0]=3 497 B10R1.176 C1=CC(=C(C=C1CCl)F)F 5398 [0,2,0,0,0,0|1,0,0]=3 498 B10R1.176 C1=CC(=C(C=C1CN)Cl)F 8697 [0,2,0,0,0,0|1,0,0]=3 499 B10R1.176 C1=CC(=C(C=C1CO)Br)O 9541 [0,2,0,0,0,0|0,0,0]=2 500 B10R1.176 C1=CC(=C(C=C1CO)Cl)F 5350 [0,2,0,0,0,0|1,0,0]=3 501 B10R1.176 C1=CC(=C(C=C1CO)F)Cl 6586 [0,2,0,0,0,0|1,0,0]=3 502 B10R1.176 C1=CC(=C(C=C1CO)F)F 5618 [0,2,0,0,0,0|1,0,0]=3 503 B10R1.176 CC1=C(C=C(C=C1)C#N)Br 6755 [0,2,0,0,0,0|1,0,0]=3 504 B10R1.176 CC1=C(C=C(C=C1)C#N)F 9664 [0,2,0,0,0,0|1,0,0]=3 505 B10R1.176 CC1=C(C=C(C=C1)C#N)N 8423 [0,2,0,0,0,0|1,0,0]=3 506 B10R1.176 CC1=C(C=C(C=C1)C=O)F 6278 [0,2,0,0,0,0|0,0,1]=3 507 B10R1.176 CC1=C(C=C(C=C1)C=O)F 6279 [0,2,0,0,0,0|0,0,1]=3 508 B10R1.176 CC1=C(C=C(C=C1)CBr)F 8915 [0,2,0,0,0,0|1,0,0]=3 509 B10R1.176 CC1=C(C=C(C=C1)CN)C 6547 [0,2,0,0,0,0|1,0,0]=3 510 B10R1.176 CC1=C(C=C(C=C1)CN)F 8324 [0,2,0,0,0,0|1,0,0]=3 511 B10R1.176 CC1=C(C=C(C=C1)CO)F 8904 [0,2,0,0,0,0|0,0,0]=2 512 B10R1.176 CC1=C(C=C(C=C1)OC)Cl 8676 [0,2,0,0,0,0|0,0,0]=2 513 B10R1.176 CC1=C(C=CC(=C1)C#N)F 6655 [0,2,0,0,0,0|1,0,1]=4 514 B10R1.176 CC1=C(C=CC(=C1)CBr)F 9893 [0,2,0,0,0,0|1,0,0]=3 515 B10R1.176 CC1=C(C=CC(=C1)CN)F 8722 [0,2,0,0,0,0|1,0,0]=3 516 B10R1.176 CC1=C(C=CC(=N1)OC)Br 5248 [0,2,0,0,0,0|2,0,0]=4 517 B10R1.176 CC1=CC(=NC=C1N)OC 5687 [0,2,0,0,0,0|2,0,0]=4 518 B10R1.176 COC1=CC(=C(C=C1)Br)F 5203 [0,2,0,0,0,0|1,0,0]=3 519 B10R1.176 COC1=CC(=C(C=C1)Cl)Br 8084 [0,2,0,0,0,0|1,0,0]=3 520 B10R1.176 COC1=CC(=C(C=C1)F)F 5159 [0,2,0,0,0,0|1,0,0]=3 521 B10R1.176 COC1=CC(=C(C=C1)O)Br 8831 [0,2,0,0,0,0|0,0,0]=2 522 B10R1.176 c1cc(c(cc1CN)F)Cl C0229 [0,2,0,0,0,0|1,0,0]=3 523 B10R1.22 C1=C(C=C(C(=C1Br)Cl)F)Cl 8902 [0,2,0,0,0,0|2,0,0]=4 524 B10R1.22 C1=C(C=C(C(=C1Br)I)Br)F 8585 [0,2,0,0,0,0|2,0,0]=4 525 B10R1.22 C1=C(C=C(C(=C1Br)I)F)Cl 6612 [0,2,0,0,0,0|2,0,0]=4 526 B10R1.22 C1=C(C=C(C(=C1Cl)F)Cl)N 8435 [0,2,0,0,0,0|2,0,0]=4 527 B10R1.22 C1=C(C=C(C(=C1Cl)O)F)Br 10302 [0,2,0,0,0,0|1,0,0]=3 528 B10R1.22 C1=C(C=C(C(=C1F)Br)F)Cl 9364 [0,2,0,0,0,0|2,0,0]=4 529 B10R1.22 C1=C(C=C(C(=C1F)Br)F)F 6056 [0,2,0,0,0,0|2,0,0]=4 530 B10R1.22 C1=C(C=C(C(=C1F)Br)F)I 10292 [0,2,0,0,0,0|2,0,0]=4 531 B10R1.22 C1=C(C=C(C(=C1F)Br)F)N 10112 [0,2,0,0,0,0|2,0,0]=4 532 B10R1.22 C1=C(C=C(C(=C1F)F)F)Br 5965 [0,2,0,0,0,0|2,0,0]=4 533 B10R1.22 C1=C(C=C(C(=C1F)F)F)N 5140 [0,2,0,0,0,0|2,0,0]=4 534 B10R1.22 C1=C(C=C(C(=C1F)F)F)O 5145 [0,2,0,0,0,0|1,0,0]=3 535 B10R1.22 C1=C(C=C(C(=C1F)F)O)Br 8561 [0,2,0,0,0,0|2,0,0]=4 536 B10R1.22 C1=C(C=C(C(=C1F)I)F)Br 9280 [0,2,0,0,0,0|2,0,0]=4 537 B10R1.22 C1=C(C=C(C(=C1F)I)F)N 8249 [0,2,0,0,0,0|2,0,0]=4 538 B10R1.22 C1=C(C=C(C(=C1F)N)F)Br 8942 [0,2,0,0,0,0|2,0,0]=4 539 B10R1.22 C1=C(C=C(C(=C1F)N)N)F 8463 [0,2,0,0,0,0|2,0,0]=4 540 B10R1.22 C1=C(C=C(C(=C1F)O)Br)F 5969 [0,2,0,0,0,0|1,0,0]=3 541 B10R1.22 C1=C(C=C(C(=C1F)O)F)Br 6378 [0,2,0,0,0,0|1,0,0]=3 542 B10R1.22 C1=C(C=C(C(=C1F)O)F)F 5591 [0,2,0,0,0,0|1,0,0]=3 543 B10R1.22 CC1=CC(=C(C(=C1)Br)N)Br 6657 [0,2,0,0,0,0|1,0,0]=3 544 B10R1.22 CC1=CC(=C(C(=C1)C)I)C 5640 [0,2,0,0,0,0|1,0,0]=3 545 B10R1.22 CC1=CC(=C(C(=C1)O)C)C 9036 [0,2,0,0,0,0|1,0,0]=3 546 B10R1.22 CC1=CC(=CC(=C1F)C)Br 8749 [0,2,0,0,0,0|2,0,0]=4 547 B10R1.22 CC1=CC(=CC(=C1I)C)Br 6527 [0,2,0,0,0,0|2,0,0]=4 548 B10R1.22 CC1=CC(=CC(=C1N)C)Br 8071 [0,2,0,0,0,0|2,0,0]=4 549 B10R1.22 CC1=CC(=CC(=C1O)Cl)Br 10541 [0,2,0,0,0,0|1,0,0]=3 550 B10R1.22 CC1=CC(=O)NC(=C1C)O 6842 [0,2,0,0,0,0|1,0,1]=4 551 B10R1.22 c1c(cc(c(c1F)Br)Cl)Br D1021 [0,2,0,0,0,0|2,0,0]=4 552 B10R1.30 C1=CC(=C(C=C1Br)C#N)Cl 8108 [0,2,0,0,0,0|2,0,0]=4 553 B10R1.30 C1=CC(=C(C=C1Br)C#N)N 5314 [0,2,0,0,0,0|2,0,0]=4 554 B10R1.30 C1=CC(=C(C=C1Cl)C#N)Br 5321 [0,2,0,0,0,0|2,0,0]=4 555 B10R1.30 C1=CC(=C(C=C1Cl)C#N)F 6250 [0,2,0,0,0,0|2,0,0]=4 556 B10R1.30 C1=CC(=C(C=C1Cl)C=O)Br 10177 [0,2,0,0,0,0|2,0,0]=4 557 B10R1.30 C1=CC(=C(C=C1Cl)C=O)O 6718 [0,2,0,0,0,0|1,0,0]=3 558 B10R1.30 C1=CC(=C(C=C1Cl)CN)F 9760 [0,2,0,0,0,0|2,0,0]=4 559 B10R1.30 C1=CC(=C(C=C1F)C#N)Br 6487 [0,2,0,0,0,0|2,0,0]=4 560 B10R1.30 C1=CC(=C(C=C1F)C#N)F 9298 [0,2,0,0,0,0|2,0,0]=4 561 B10R1.30 C1=CC(=C(C=C1F)C=O)O 10080 [0,2,0,0,0,0|1,0,0]=3 562 B10R1.30 C1=CC(=C(C=C1F)CBr)Br 9632 [0,2,0,0,0,0|2,0,0]=4 563 B10R1.30 C1=CC(=C(C=C1F)CBr)F 8216 [0,2,0,0,0,0|2,0,0]=4 564 B10R1.30 C1=CC(=C(C=C1F)CCl)F 9199 [0,2,0,0,0,0|2,0,0]=4 565 B10R1.30 C1=CC(=C(C=C1F)CN)F 6209 [0,2,0,0,0,0|2,0,0]=4 566 B10R1.30 C1=CC(=C(C=C1F)CO)Br 8036 [0,2,0,0,0,0|2,0,0]=4 567 B10R1.30 C1=CC(=C(C=C1F)CO)F 6070 [0,2,0,0,0,0|2,0,0]=4 568 B10R1.30 C1=CC(=C(C=C1I)C=O)F 9372 [0,2,0,0,0,0|2,0,0]=4 569 B10R1.30 C1=CC(=C(C=C1N)C#N)F 5450 [0,2,0,0,0,0|2,0,0]=4 570 B10R1.30 C1=CC(=C(C=C1O)C=O)Br 8805 [0,2,0,0,0,0|1,0,0]=3 571 B10R1.30 CC1=C(C=C(C=C1)Cl)CN 6534 [0,2,0,0,0,0|1,0,0]=3 572 B10R1.30 CC1=C(C=C(C=C1)F)CBr 8570 [0,2,0,0,0,0|1,0,0]=3 573 B10R1.30 CC1=C(C=C(C=C1)N)C#N 9614 [0,2,0,0,0,0|1,0,0]=3 574 B10R1.30 CC1=CC(=C(C=C1)C)C#N 6545 [0,2,0,0,0,0|1,0,0]=3 575 B10R1.30 CC1=CC(=C(C=C1)F)C#N 6447 [0,2,0,0,0,0|1,0,0]=3 576 B10R1.30 COC1=C(C=CC(=C1)Br)Cl 9742 [0,2,0,0,0,0|2,0,0]=4 577 B10R1.30 COC1=C(C=CC(=C1)Br)F 5237 [0,2,0,0,0,0|2,0,0]=4 578 B10R1.30 COC1=C(C=CC(=C1)Br)N 5264 [0,2,0,0,0,0|2,0,0]=4 579 B10R1.30 COC1=C(C=CC(=C1)Br)O 6868 [0,2,0,0,0,0|1,0,0]=3 580 B10R1.30 COC1=C(C=CC(=C1)F)F 8359 [0,2,0,0,0,0|2,0,0]=4 581 B10R1.30 c1cc(c(cc1F)CBr)Cl C0029 [0,2,0,0,0,0|2,0,0]=4 582 B10R1.118 C1=C(C(=CC(=C1Br)Br)F)F 10349 [0,2,0,0,0,0|2,0,0]=4 583 B10R1.118 C1=C(C(=CC(=C1Br)F)Br)F 8349 [0,2,0,0,0,0|2,0,0]=4 584 B10R1.118 C1=C(C(=CC(=C1Br)F)F)N 6462 [0,2,0,0,0,0|2,0,0]=4 585 B10R1.118 C1=C(C(=CC(=C1Cl)Cl)Cl)O 6798 [0,2,0,0,0,0|1,0,0]=3 586 B10R1.118 C1=C(C(=CC(=C1F)Br)F)F 8303 [0,2,0,0,0,0|2,0,0]=4 587 B10R1.118 C1=C(C(=CC(=C1F)F)Br)N 6678 [0,2,0,0,0,0|2,0,0]=4 588 B10R1.118 C1=C(C(=CC(=C1F)F)F)N 9901 [0,2,0,0,0,0|2,0,0]=4 589 B10R1.118 CC1=CC(=C(C=C1Br)C)N 8537 [0,2,0,0,0,0|1,0,0]=3 590 B10R1.118 CC1=CC(=C(C=C1Cl)C)N 6620 [0,2,0,0,0,0|1,0,0]=3 591 B10R1.118 CC1=CC(=C(C=C1Cl)Cl)F 6167 [0,2,0,0,0,0|1,0,0]=3 592 B10R1.118 CC1=CC(=C(C=C1N)Cl)Br 6611 [0,2,0,0,0,0|1,0,0]=3 593 B10R1.118 CC1=NC(=C(C=C1Br)Br)N 6440 [0,2,0,0,0,0|2,0,0]=4 594 B10R1.119 C1=CC(=C(C(=C1F)F)F)F 5280 [0,2,0,0,0,0|2,0,0]=4 595 B10R1.119 C1=CC(=C(C(=C1F)F)F)I 6573 [0,2,0,0,0,0|2,0,0]=4 596 B10R1.119 C1=CC(=C(C(=C1F)N)F)F 6061 [0,2,0,0,0,0|2,0,0]=4 597 B10R1.119 C1=CC(=C(C(=C1F)O)Cl)F 9245 [0,2,0,0,0,0|2,0,0]=4 598 B10R1.119 C1=CC(=C(C(=C1F)O)F)Cl 6248 [0,2,0,0,0,0|2,0,0]=4 599 B10R1.119 C1=CC(=C(C(=C1F)O)F)F 5590 [0,2,0,0,0,0|2,0,0]=4 600 B10R1.119 C1=CC(=C(C(=C1N)F)Cl)Br 9702 [0,2,0,0,0,0|2,0,0]=4 601 B10R1.119 C1=CC(=C(C(=C1N)F)F)F 6057 [0,2,0,0,0,0|2,0,0]=4 602 B10R1.119 C1=CC(=C(C(=C1O)F)F)Br 9998 [0,2,0,0,0,0|1,0,0]=3 603 B10R1.119 C1=CC(=C(C(=C1O)F)F)F 6059 [0,2,0,0,0,0|1,0,0]=3 604 B10R1.119 C1=CC(=C(C(=C1O)F)F)F 6060 [0,2,0,0,0,0|1,0,0]=3 605 B10R1.119 CC1=C(C(=C(C=C1)Cl)O)F 6260 [0,2,0,0,0,0|1,0,0]=3 606 B10R1.119 CC1=C(C(=C(C=C1)F)O)Cl 6259 [0,2,0,0,0,0|1,0,0]=3 607 B10R1.119 CC1=C(C(=C(C=C1)F)O)F 6277 [0,2,0,0,0,0|1,0,0]=3 608 B10R1.119 CC1=C(C(=C(C=C1)O)F)F 6276 [0,2,0,0,0,0|0,0,0]=2 609 B10R1.119 CC1=C(C=CC(=C1C)O)O 10027 [0,2,0,0,0,0|1,0,0]=3 610 B6R0.2 CC(=CC(=O)O)C 9276 [0,0,1,0,1,0|1,0,1]=4 611 B6R1.2 C1=CSC(=C1)Br 5377 [1,0,0,0,1,0|2,0,0]=4 612 B6R1.2 C1=CSC(=C1)Cl 9477 [1,0,0,0,1,0|2,0,0]=4 613 B6R1.2 C1=CSC(=C1)I 9486 [1,0,0,0,1,0|2,0,0]=4 614 B6R1.2 C1=CSC=C1Cl 9478 [1,0,0,0,1,0|2,0,0]=4 615 B6R1.2 CC1=CC=CS1 8742 [1,0,0,0,1,0|1,0,0]=3 616 B6R1.2 CC1=CC=NN1 8083 [1,0,0,0,1,0|2,0,0]=4 617 B6R1.2 CC1=CN=CN1 9563 [1,0,0,0,1,0|2,0,0]=4 618 B6R1.2 CC1=CSC=N1 8929 [1,0,0,0,1,0|2,0,0]=4 619 B6R1.2 Cc1cccs1 M0049 [1,0,0,0,1,0|1,0,0]=3