0 B9R1.15 C#Cc1ccccc1F ACT10250 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.15 COc1c(cccn1)I ACT04432 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.15 COc1c(cccn1)N ACT07498 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.15 COc1c(nccn1)Cl ACT10814 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.15 COc1ccc[nH]c1=O ACT09226 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.15 COc1ccccc1Br ACT04851 [0,0,0,0,0,0|1,0,0]=1 6 B9R1.15 CSc1c(cccn1)Br ACT04436 [0,0,0,0,0,0|2,1,0]=3 7 B9R1.15 Cc1c(nccn1)SC ACT06616 [0,0,0,0,0,0|2,1,0]=3 8 B9R1.15 Cc1ccccc1C#C ACT10245 [0,0,0,0,0,0|1,0,1]=2 9 B9R1.15 Cc1ccccc1NN ACT08523 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.15 Cc1cccnc1C#N ACT11034 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.15 c1c[nH]cc(c1=O)C#N ACT10532 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.15 c1cc(c(nc1)Cl)C=O ACT01478 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.15 c1cc(c(nc1)Cl)CN ACT10471 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.15 c1cc(c(nc1)Cl)CO ACT01477 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.15 c1cc(c(nc1)N)C=O ACT01307 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.15 c1cc(c(nc1)N)CO ACT04341 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.15 c1ccc(c(c1)C#N)Cl ACT08962 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.15 c1ccc(c(c1)C#N)I ACT12520 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.15 c1ccc(c(c1)CBr)F ACT00245 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.15 c1ccc(c(c1)CCl)I ACT05459 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.15 c1ccc(c(c1)CN)N ACT09072 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.15 c1ccc(c(c1)CO)I ACT05458 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.15 c1ccc(c(c1)CO)N ACT09816 [0,0,0,0,0,0|3,0,0]=3 24 B9R1.15 c1ccc(c(c1)NN)Br ACT02736 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.15 c1ccc(c(c1)NN)Cl ACT12543 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.15 c1ccc(c(c1)NN)F ACT00607 [0,0,0,0,0,0|3,0,0]=3 27 B9R1.15 c1cncc(c1C#N)Cl ACT01326 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.15 c1cncc(c1C#N)F ACT11219 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.15 c1cncc(c1C#N)N ACT04528 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.15 c1cncc(c1C=O)Cl ACT11394 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.15 c1cncc(c1Cl)C#N ACT01618 [0,0,0,0,0,0|4,0,0]=4 32 B9R1.15 c1cncc(c1Cl)CO ACT07419 [0,0,0,0,0,0|4,0,0]=4 33 B8R1.2 C#Cc1ccccc1 ACT08960 [1,0,0,0,0,0|1,0,1]=3 34 B8R1.2 C#Cc1ccccn1 ACT09195 [1,0,0,0,0,0|2,0,1]=4 35 B8R1.2 C#Cc1cccnc1 ACT01363 [1,0,0,0,0,0|2,0,1]=4 36 B8R1.2 C#Cc1ccncc1 ACT01287 [1,0,0,0,0,0|2,0,1]=4 37 B8R1.2 COc1ccccn1 ACT06584 [1,0,0,0,0,0|1,0,0]=2 38 B8R1.2 COc1ccncc1 ACT01615 [1,0,0,0,0,0|1,0,0]=2 39 B8R1.2 COc1cnccn1 ACT06613 [1,0,0,0,0,0|2,0,0]=3 40 B8R1.2 CSc1cnccn1 ACT01756 [1,0,0,0,0,0|2,1,0]=4 41 B8R1.2 c1cc(cnc1)C#N ACT05843 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.2 c1cc(cnc1)C=O ACT04700 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.2 c1ccc(cc1)CS ACT06261 [1,0,0,0,0,0|2,0,0]=3 44 B8R1.2 c1ccnc(c1)C#N ACT05842 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.2 c1ccnc(c1)C=O ACT07081 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.2 c1cnccc1C#N ACT01368 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.2 c1cnccc1C=O ACT05935 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.2 c1cnccc1CO ACT05965 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.5 Cc1c(cccn1)N ACT01459 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.5 Cc1c(cccn1)N ACT01459 [1,0,0,0,0,0|2,0,0]=3 51 B8R1.5 Cc1c(cccn1)O ACT01461 [1,0,0,0,0,0|1,0,0]=2 52 B8R1.5 Cc1ccc[nH]c1=O ACT01511 [1,0,0,0,0,0|1,0,1]=3 53 B8R1.5 Cc1ccccc1I ACT05468 [1,0,0,0,0,0|1,0,0]=2 54 B8R1.5 Cc1cccnc1Br ACT06975 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.5 Cc1cccnc1N ACT04697 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.5 Cc1ccncc1N ACT01358 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.5 Cc1cnccc1N ACT01603 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.5 c1cc(c(=O)[nH]c1)Br ACT07182 [1,0,0,0,0,0|2,0,1]=4 59 B8R1.5 c1cc(c(nc1)Br)N ACT03644 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.5 c1cc(c(nc1)Cl)Br ACT01362 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.5 c1cc(c(nc1)Cl)F ACT01345 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.5 c1cc(c(nc1)Cl)I ACT01479 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.5 c1cc(c(nc1)F)I ACT01260 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.5 c1cc(c(nc1)F)O ACT07366 [1,0,0,0,0,0|2,0,0]=3 65 B8R1.5 c1cc(c(nc1)I)F ACT04430 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.5 c1cc(c(nc1)I)O ACT11077 [1,0,0,0,0,0|2,0,0]=3 67 B8R1.5 c1cc(c(nc1)N)I ACT11375 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.5 c1cc(c(nc1)N)N ACT01388 [1,0,0,0,0,0|3,0,0]=4 69 B8R1.5 c1cc(c(nc1)O)Cl ACT04473 [1,0,0,0,0,0|2,0,0]=3 70 B8R1.5 c1cc(c(nc1)O)N ACT01552 [1,0,0,0,0,0|2,0,0]=3 71 B8R1.5 c1cc[n+](c(c1)Br)[O-] ACT10359 [1,0,0,0,0,0|2,0,1]=4 72 B8R1.5 c1cc[n+](c(c1)O)[O-] ACT10992 [1,0,0,0,0,0|2,0,0]=3 73 B8R1.5 c1ccc(c(c1)Br)Br ACT07584 [1,0,0,0,0,0|2,0,0]=3 74 B8R1.5 c1ccc(c(c1)Br)I ACT05474 [1,0,0,0,0,0|2,0,0]=3 75 B8R1.5 c1ccc(c(c1)Cl)Br ACT03421 [1,0,0,0,0,0|2,0,0]=3 76 B8R1.5 c1ccc(c(c1)N)Br ACT07744 [1,0,0,0,0,0|2,0,0]=3 77 B8R1.5 c1ccc(c(c1)N)I ACT07811 [1,0,0,0,0,0|2,0,0]=3 78 B8R1.5 c1ccc(c(c1)O)I ACT05465 [1,0,0,0,0,0|1,0,0]=2 79 B8R1.5 c1ccc(c(c1)S)S ACT11907 [1,0,0,0,0,0|1,1,0]=3 80 B8R1.5 c1cncc(c1Cl)Cl ACT11396 [1,0,0,0,0,0|3,0,0]=4 81 B8R1.5 c1cncc(c1I)Cl ACT11376 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.5 c1cncc(c1I)F ACT11381 [1,0,0,0,0,0|3,0,0]=4 83 B8R1.5 c1cncc(c1N)Br ACT01578 [1,0,0,0,0,0|3,0,0]=4 84 B10R1.2 Cc1cccc(c1C)C=O ACT11850 [0,1,0,0,0,0|2,0,0]=3 85 B10R1.2 Cc1cccc(c1C)NN ACT07154 [0,1,0,0,0,0|2,0,0]=3 86 B10R1.2 Cc1cccc(c1O)C=O ACT02943 [0,1,0,0,0,0|3,0,0]=4 87 B10R1.2 c1cc(c(c(c1)Br)O)C=O ACT03518 [0,1,0,0,0,0|3,0,0]=4 88 B10R1.2 c1cc(c(c(c1)Cl)Cl)NN ACT07570 [0,1,0,0,0,0|3,0,0]=4 89 B10R1.2 c1cc(c(c(c1)Cl)O)C=O ACT04631 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.2 c1cc(c(c(c1)F)F)C#N ACT11860 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.2 c1cc(c(c(c1)F)O)C=O ACT05904 [0,1,0,0,0,0|3,0,0]=4 92 B10R1.2 c1cc(c(c(c1)O)Br)C=O ACT05003 [0,1,0,0,0,0|3,0,0]=4 93 B10R1.4 C=CCc1ccccc1O ACT04626 [0,1,0,0,0,0|2,0,1]=4 94 B10R1.4 CCNc1ccccc1C ACT11407 [0,1,0,0,0,0|1,0,0]=2 95 B10R1.4 c1ccc(c(c1)CCBr)F ACT10293 [0,1,0,0,0,0|2,0,0]=3 96 B10R1.4 c1ccc(c(c1)CCO)O ACT04258 [0,1,0,0,0,0|2,0,0]=3 97 B10R1.20 CCc1ccccc1NN ACT06865 [0,1,0,0,0,0|2,0,0]=3 98 B10R1.20 COc1ccccc1NN ACT12535 [0,1,0,0,0,0|1,0,0]=2 99 B10R1.20 COc1ccncc1C#N ACT05114 [0,1,0,0,0,0|1,0,1]=3 100 B10R1.20 c1cc(c(nc1)CO)CO ACT01669 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.25 COc1c(cc(cn1)Br)Cl ACT08945 [0,1,0,0,0,0|2,0,0]=3 102 B10R1.25 COc1c[nH]c(=O)[nH]c1=O ACT01410 [0,1,0,0,0,0|3,0,0]=4 103 B10R1.25 COc1ccc(cc1F)N ACT00950 [0,1,0,0,0,0|1,0,0]=2 104 B10R1.25 COc1cnc(nc1Cl)Cl ACT01277 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.25 Cc1c(ccc(n1)Cl)C#N ACT11335 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.25 Cc1cc(ccc1C#N)Cl ACT11840 [0,1,0,0,0,0|2,0,0]=3 107 B10R1.25 Cc1cc(ccc1C=O)Cl ACT09676 [0,1,0,0,0,0|2,0,0]=3 108 B10R1.25 Cc1cc(ccc1C=O)F ACT11866 [0,1,0,0,0,0|2,0,0]=3 109 B10R1.25 Cc1cc(cnc1C#N)Br ACT09036 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.25 Cc1ccc(c(c1)C)NN ACT08448 [0,1,0,0,0,0|2,0,0]=3 111 B10R1.25 Cc1ccc(c(c1)Cl)NN ACT08995 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.25 c1cc(c(cc1Br)Cl)C#N ACT03429 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.25 c1cc(c(cc1Br)F)C#N ACT11802 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.25 c1cc(c(cc1Br)N)C#N ACT11859 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.25 c1cc(c(cc1Br)O)C=O ACT00222 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.25 c1cc(c(cc1Cl)Cl)NN ACT08308 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.25 c1cc(c(cc1Cl)F)C=O ACT00558 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.25 c1cc(c(cc1Cl)O)C=O ACT03495 [0,1,0,0,0,0|3,0,0]=4 119 B10R1.25 c1cc(c(cc1F)Cl)NN ACT09483 [0,1,0,0,0,0|3,0,0]=4 120 B10R1.25 c1cc(c(cc1F)F)NN ACT00457 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.25 c1cc(c(cc1F)N)C#N ACT11846 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.25 c1cc(c(cc1F)O)C=O ACT03507 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.25 c1cc(c(cc1I)F)C#N ACT00553 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.25 c1cc(c(cc1O)Cl)C=O ACT03441 [0,1,0,0,0,0|3,0,0]=4 125 B10R1.30 COc1cc(ccc1Br)O ACT11735 [0,1,0,0,0,0|1,0,0]=2 126 B10R1.30 COc1cc(ccc1N)Br ACT00157 [0,1,0,0,0,0|1,0,0]=2 127 B10R1.30 COc1cc(cnc1Cl)N ACT10225 [0,1,0,0,0,0|2,0,0]=3 128 B10R1.30 Cc1ccc(c(c1)NN)C ACT08374 [0,1,0,0,0,0|2,0,0]=3 129 B10R1.30 Cc1ccc(cc1C#N)Br ACT11861 [0,1,0,0,0,0|2,0,0]=3 130 B10R1.30 Cc1ccc(cc1NN)F ACT12555 [0,1,0,0,0,0|2,0,0]=3 131 B10R1.30 c1cc(c(cc1Br)C=O)O ACT04602 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.30 c1cc(c(cc1Cl)C=O)Br ACT12015 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.30 c1cc(c(cc1Cl)C=O)O ACT03087 [0,1,0,0,0,0|3,0,0]=4 134 B10R1.30 c1cc(c(cc1Cl)NN)Cl ACT11122 [0,1,0,0,0,0|3,0,0]=4 135 B10R1.30 c1cc(c(cc1F)C=O)O ACT03079 [0,1,0,0,0,0|3,0,0]=4 136 B10R1.30 c1cc(c(cc1F)CO)Br ACT09673 [0,1,0,0,0,0|3,0,0]=4 137 B10R1.30 c1cc(c(cc1F)NN)F ACT07367 [0,1,0,0,0,0|3,0,0]=4 138 B10R1.61 B(c1ccccc1Cl)(O)O ACT04751 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.61 B(c1ccccc1F)(O)O ACT02197 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.61 B(c1cnccc1C)(O)O ACT11755 [0,1,0,0,0,0|3,0,0]=4 141 B10R1.61 CC(=O)c1ccccc1Cl ACT06884 [0,1,0,0,0,0|2,0,0]=3 142 B10R1.61 CC(=O)c1ccccc1F ACT10960 [0,1,0,0,0,0|2,0,0]=3 143 B10R1.61 CC(=O)c1ccccc1N ACT05476 [0,1,0,0,0,0|2,0,0]=3 144 B10R1.61 CC(=O)c1ccccc1O ACT05307 [0,1,0,0,0,0|2,0,0]=3 145 B10R1.61 CC(=O)c1cccnc1Cl ACT09849 [0,1,0,0,0,0|3,0,0]=4 146 B10R1.61 CC(c1ccccc1O)N ACT10543 [0,1,0,0,0,0|2,0,0]=3 147 B10R1.61 C[C@H](c1ccccc1O)N ACT07994 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.61 Cc1c(cccn1)C(=O)O ACT02414 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.61 Cc1ccccc1C(=O)C ACT07828 [0,1,0,0,0,0|1,0,0]=2 150 B10R1.61 Cc1cccnc1[N+](=O)[O-] ACT04445 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.61 Cc1ccncc1[N+](=O)[O-] ACT01361 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.61 Cc1cnccc1[N+](=O)[O-] ACT04433 [0,1,0,0,0,0|3,0,0]=4 153 B10R1.61 c1ccc(c(c1)C(=O)Cl)Br ACT05471 [0,1,0,0,0,0|3,0,0]=4 154 B10R1.61 c1ccc(c(c1)C(=O)O)I ACT05424 [0,1,0,0,0,0|3,0,0]=4 155 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br ACT07602 [0,1,0,0,0,0|3,0,0]=4 156 B10R1.245 Cc1c(c(=O)cc[nH]1)OC ACT04443 [0,1,0,0,0,0|1,0,0]=2 157 B10R1.245 Cc1cccc(c1NN)C ACT07688 [0,1,0,0,0,0|2,0,0]=3 158 B10R1.245 c1cc(c(c(c1)Br)C#N)F ACT11849 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.245 c1cc(c(c(c1)Cl)NN)Cl ACT08223 [0,1,0,0,0,0|3,0,0]=4 160 B10R1.245 c1cc(c(c(c1)F)C#N)N ACT11801 [0,1,0,0,0,0|3,0,0]=4 161 B10R1.245 c1cc(c(c(c1)F)C#N)O ACT11844 [0,1,0,0,0,0|3,0,0]=4 162 B10R2.7 B1Oc2ccccc2O1 ACT09441 [0,0,0,1,0,0|2,0,0]=3 163 B10R2.7 c1cc2c(nc1)CCC2 ACT01400 [0,0,0,1,0,0|2,0,0]=3 164 B10R2.7 c1ccc2c(c1)[nH]cn2 ACT05819 [0,0,0,1,0,0|2,0,1]=4 165 B7R0.1 CCC=CC=CC=O ACT06050 [1,0,1,0,0,0|0,0,2]=4 166 B7R1.3 Cc1cnccn1 ACT06608 [2,0,0,0,0,0|2,0,0]=4 167 B7R1.3 Cc1cncnc1 ACT01372 [2,0,0,0,0,0|2,0,0]=4 168 B7R1.3 c1cc(cnc1)Br ACT01584 [2,0,0,0,0,0|2,0,0]=4 169 B7R1.3 c1cc(cnc1)Cl ACT01563 [2,0,0,0,0,0|2,0,0]=4 170 B7R1.3 c1cc(cnc1)I ACT07335 [2,0,0,0,0,0|2,0,0]=4 171 B7R1.3 c1cc(cnc1)N ACT09740 [2,0,0,0,0,0|2,0,0]=4 172 B7R1.3 c1cc(cnc1)O ACT07256 [2,0,0,0,0,0|1,0,0]=3 173 B7R1.3 c1ccc(cc1)Br ACT03428 [2,0,0,0,0,0|1,0,0]=3 174 B7R1.3 c1ccc(cc1)I ACT05473 [2,0,0,0,0,0|1,0,0]=3 175 B7R1.3 c1ccc(cc1)P ACT04087 [2,0,0,0,0,0|1,0,0]=3 176 B7R1.3 c1ccnc(c1)Br ACT05539 [2,0,0,0,0,0|2,0,0]=4 177 B7R1.3 c1ccnc(c1)F ACT01456 [2,0,0,0,0,0|2,0,0]=4 178 B7R1.3 c1ccnc(c1)I ACT09780 [2,0,0,0,0,0|2,0,0]=4 179 B7R1.3 c1ccnc(c1)N ACT09785 [2,0,0,0,0,0|2,0,0]=4 180 B7R1.3 c1ccnc(c1)O ACT08592 [2,0,0,0,0,0|1,0,0]=3 181 B7R1.3 c1ccnc(c1)S ACT05649 [2,0,0,0,0,0|1,1,0]=4 182 B7R1.3 c1cnccc1Br ACT03436 [2,0,0,0,0,0|2,0,0]=4 183 B7R1.3 c1cnccc1Cl ACT01622 [2,0,0,0,0,0|2,0,0]=4 184 B7R1.3 c1cnccc1N ACT05167 [2,0,0,0,0,0|2,0,0]=4 185 B7R1.3 c1cnccc1O ACT05166 [2,0,0,0,0,0|1,0,0]=3 186 B7R1.3 c1cnccc1O ACT09926 [2,0,0,0,0,0|1,0,0]=3 187 B7R1.3 c1cnccc1S ACT05165 [2,0,0,0,0,0|1,1,0]=4 188 B9R1.1 C#Cc1ccc(cc1)Br ACT10256 [1,1,0,0,0,0|1,0,1]=4 189 B9R1.1 C#Cc1ccc(cc1)F ACT00296 [1,1,0,0,0,0|1,0,1]=4 190 B9R1.1 C1=CC(=O)C=CC1=NO ACT05401 [1,1,0,0,0,0|2,0,0]=4 191 B9R1.1 C=Cc1ccc(cc1)Cl ACT07088 [1,1,0,0,0,0|1,0,1]=4 192 B9R1.1 COc1ccc(cc1)Br ACT04984 [1,1,0,0,0,0|0,0,0]=2 193 B9R1.1 COc1ccc(cn1)Br ACT01474 [1,1,0,0,0,0|1,0,0]=3 194 B9R1.1 COc1ccc(cn1)O ACT11358 [1,1,0,0,0,0|1,0,0]=3 195 B9R1.1 COc1cnc(nc1)Cl ACT06635 [1,1,0,0,0,0|2,0,0]=4 196 B9R1.1 COc1ncc(cn1)Br ACT01648 [1,1,0,0,0,0|2,0,0]=4 197 B9R1.1 Cc1ccc(cc1)C#C ACT10257 [1,1,0,0,0,0|1,0,1]=4 198 B9R1.1 Cc1ccc(cc1)NN ACT01152 [1,1,0,0,0,0|2,0,0]=4 199 B9R1.1 c1cc(ccc1C#N)Br ACT01176 [1,1,0,0,0,0|2,0,0]=4 200 B9R1.1 c1cc(ccc1C#N)I ACT08158 [1,1,0,0,0,0|2,0,0]=4 201 B9R1.1 c1cc(ccc1C=O)O ACT01156 [1,1,0,0,0,0|2,0,0]=4 202 B9R1.1 c1cc(ccc1CO)N ACT00253 [1,1,0,0,0,0|2,0,0]=4 203 B9R1.1 c1cc(ccc1NN)Br ACT12528 [1,1,0,0,0,0|2,0,0]=4 204 B9R1.1 c1cc(ccc1NN)Cl ACT02825 [1,1,0,0,0,0|2,0,0]=4 205 B9R1.1 c1cc(ccc1NN)F ACT08904 [1,1,0,0,0,0|2,0,0]=4 206 B9R1.2 C#Cc1cccc(c1)N ACT00085 [1,1,0,0,0,0|1,0,1]=4 207 B9R1.2 C=Cc1cccc(c1)Cl ACT07505 [1,1,0,0,0,0|1,0,1]=4 208 B9R1.2 COc1cc(ccn1)Br ACT01471 [1,1,0,0,0,0|1,0,0]=3 209 B9R1.2 COc1cc(cnc1)Br ACT10406 [1,1,0,0,0,0|1,0,0]=3 210 B9R1.2 COc1cccc(c1)Br ACT04958 [1,1,0,0,0,0|0,0,0]=2 211 B9R1.2 COc1cccc(c1)S ACT04985 [1,1,0,0,0,0|0,0,0]=2 212 B9R1.2 COc1cccc(n1)Br ACT05651 [1,1,0,0,0,0|1,0,0]=3 213 B9R1.2 COc1cccc(n1)Cl ACT10158 [1,1,0,0,0,0|1,0,0]=3 214 B9R1.2 COc1cccc(n1)N ACT01441 [1,1,0,0,0,0|1,0,0]=3 215 B9R1.2 COc1ccnc(c1)N ACT04461 [1,1,0,0,0,0|1,0,0]=3 216 B9R1.2 Cc1cccc(c1)C#C ACT10255 [1,1,0,0,0,0|1,0,1]=4 217 B9R1.2 Cc1cccc(c1)NN ACT08527 [1,1,0,0,0,0|2,0,0]=4 218 B9R1.2 c1cc(cc(c1)Br)C#N ACT00928 [1,1,0,0,0,0|2,0,0]=4 219 B9R1.2 c1cc(cc(c1)Br)CBr ACT01196 [1,1,0,0,0,0|2,0,0]=4 220 B9R1.2 c1cc(cc(c1)Br)CO ACT13271 [1,1,0,0,0,0|2,0,0]=4 221 B9R1.2 c1cc(cc(c1)Br)NN ACT07730 [1,1,0,0,0,0|2,0,0]=4 222 B9R1.2 c1cc(cc(c1)Cl)NN ACT07638 [1,1,0,0,0,0|2,0,0]=4 223 B9R1.2 c1cc(cc(c1)F)NN ACT12550 [1,1,0,0,0,0|2,0,0]=4 224 B9R1.2 c1cc(cc(c1)I)C#N ACT01185 [1,1,0,0,0,0|2,0,0]=4 225 B9R1.6 B(c1ccccc1)(O)O ACT02221 [1,1,0,0,0,0|2,0,0]=4 226 B9R1.6 CC(=O)c1ccccn1 ACT06583 [1,1,0,0,0,0|2,0,0]=4 227 B9R1.6 CC(=O)c1cccnc1 ACT09581 [1,1,0,0,0,0|2,0,0]=4 228 B9R1.6 CN(C)c1ccncc1 ACT01613 [1,1,0,0,0,0|2,0,0]=4 229 B9R1.6 C[C@@H](c1ccccn1)N ACT09467 [1,1,0,0,0,0|2,0,0]=4 230 B9R1.6 C[C@H](c1ccccc1)N ACT09657 [1,1,0,0,0,0|1,0,0]=3 231 B9R1.8 C=CCc1ccccc1 ACT11557 [1,1,0,0,0,0|1,0,1]=4 232 B9R1.8 CCOc1cnccn1 ACT06614 [1,1,0,0,0,0|2,0,0]=4 233 B9R1.8 CNCc1ccccc1 ACT05529 [1,1,0,0,0,0|1,0,0]=3 234 B9R1.8 CSSc1ccccc1 ACT06218 [1,1,0,0,0,0|0,1,0]=3 235 B9R1.8 c1cc(cnc1)CCN ACT01355 [1,1,0,0,0,0|2,0,0]=4 236 B9R1.8 c1ccc(cc1)CCBr ACT03430 [1,1,0,0,0,0|1,0,0]=3 237 B9R1.8 c1ccc(cc1)CCCl ACT03431 [1,1,0,0,0,0|1,0,0]=3 238 B9R1.8 c1ccc(cc1)CCS ACT06273 [1,1,0,0,0,0|1,0,0]=3 239 B9R1.8 c1ccnc(c1)CCBr ACT10142 [1,1,0,0,0,0|2,0,0]=4 240 B9R1.8 c1cnccc1CCN ACT01588 [1,1,0,0,0,0|2,0,0]=4 241 B9R1.8 c1cnccc1CCO ACT09815 [1,1,0,0,0,0|2,0,0]=4 242 B9R1.3 Cc1c(cccc1Br)N ACT00146 [1,1,0,0,0,0|1,0,0]=3 243 B9R1.3 Cc1c(ncnc1O)O ACT09965 [1,1,0,0,0,0|2,0,0]=4 244 B9R1.3 Cc1cccc(c1F)F ACT00316 [1,1,0,0,0,0|1,0,0]=3 245 B9R1.3 c1cc(c(c(c1)F)Cl)N ACT00089 [1,1,0,0,0,0|2,0,0]=4 246 B9R1.69 Cc1c(cc(cn1)Br)N ACT01458 [1,1,0,0,0,0|2,0,0]=4 247 B9R1.69 Cc1c(cc(cn1)Cl)Cl ACT08046 [1,1,0,0,0,0|2,0,0]=4 248 B9R1.69 Cc1c(ccc(n1)F)Br ACT08003 [1,1,0,0,0,0|2,0,0]=4 249 B9R1.69 Cc1c(ccc(n1)N)Br ACT01293 [1,1,0,0,0,0|2,0,0]=4 250 B9R1.69 Cc1cc(ccc1N)I ACT06479 [1,1,0,0,0,0|1,0,0]=3 251 B9R1.69 Cc1cc(cnc1Br)Br ACT07110 [1,1,0,0,0,0|2,0,0]=4 252 B9R1.69 Cc1cc(cnc1Br)Cl ACT01526 [1,1,0,0,0,0|2,0,0]=4 253 B9R1.69 Cc1cc(cnc1Br)N ACT08024 [1,1,0,0,0,0|2,0,0]=4 254 B9R1.69 Cc1cc(cnc1Cl)Br ACT01482 [1,1,0,0,0,0|2,0,0]=4 255 B9R1.69 Cc1cc(cnc1Cl)N ACT08018 [1,1,0,0,0,0|2,0,0]=4 256 B9R1.69 Cc1cc(cnc1F)Br ACT07775 [1,1,0,0,0,0|2,0,0]=4 257 B9R1.69 Cc1cc(cnc1F)Cl ACT08004 [1,1,0,0,0,0|2,0,0]=4 258 B9R1.69 Cc1cc(cnc1F)N ACT11393 [1,1,0,0,0,0|2,0,0]=4 259 B9R1.69 Cc1cc(cnc1N)Br ACT05511 [1,1,0,0,0,0|2,0,0]=4 260 B9R1.69 Cc1cc(cnc1O)Br ACT11183 [1,1,0,0,0,0|1,0,0]=3 261 B9R1.69 Cc1ccc(cc1O)Br ACT00380 [1,1,0,0,0,0|0,0,0]=2 262 B9R1.69 Cc1cnc(c(n1)C)C ACT06611 [1,1,0,0,0,0|2,0,0]=4 263 B9R1.69 Cn1ccc(cc1=O)Br ACT04439 [1,1,0,0,0,0|1,0,1]=4 264 B9R1.69 c1c(c(c[nH]c1=O)Cl)O ACT04735 [1,1,0,0,0,0|2,0,0]=4 265 B9R1.69 c1cc(c(cc1Br)Cl)I ACT01064 [1,1,0,0,0,0|2,0,0]=4 266 B9R1.69 c1cc(c(cc1Br)F)Cl ACT12573 [1,1,0,0,0,0|2,0,0]=4 267 B9R1.69 c1cc(c(cc1Br)N)O ACT00293 [1,1,0,0,0,0|1,0,0]=3 268 B9R1.69 c1cc(c(cc1Br)O)Cl ACT11823 [1,1,0,0,0,0|1,0,0]=3 269 B9R1.69 c1cc(c(cc1Cl)O)Br ACT11828 [1,1,0,0,0,0|1,0,0]=3 270 B9R1.69 c1cc(c(cc1F)Br)O ACT00974 [1,1,0,0,0,0|1,0,0]=3 271 B9R1.69 c1cc(c(cc1F)F)Br ACT06929 [1,1,0,0,0,0|2,0,0]=4 272 B9R1.69 c1cc(c(cc1F)O)Cl ACT00392 [1,1,0,0,0,0|1,0,0]=3 273 B9R1.69 c1cc(c(cc1I)F)N ACT11472 [1,1,0,0,0,0|2,0,0]=4 274 B9R1.69 c1cc(c(cc1N)F)Cl ACT00090 [1,1,0,0,0,0|2,0,0]=4 275 B9R1.69 c1cc(c(cc1N)I)N ACT08626 [1,1,0,0,0,0|2,0,0]=4 276 B9R1.69 c1cc(c(cc1O)Br)F ACT00228 [1,1,0,0,0,0|2,0,0]=4 277 B9R1.69 c1cc(c(cc1O)Br)O ACT09875 [1,1,0,0,0,0|1,0,0]=3 278 B9R1.69 c1cc(c(cc1O)Cl)N ACT06778 [1,1,0,0,0,0|2,0,0]=4 279 B9R1.69 c1cc(c(cc1O)O)Br ACT00321 [1,1,0,0,0,0|1,0,0]=3 280 B9R1.69 c1cc(c(cc1O)O)F ACT03042 [1,1,0,0,0,0|1,0,0]=3 281 B9R1.14 COc1cscc1OC ACT11611 [0,1,0,0,1,0|1,0,0]=3 282 B11R1.72 Cc1c(c(cc[n+]1[O-])Cl)OC ACT01617 [0,2,0,0,0,0|1,0,0]=3 283 B11R1.159 Cc1c(cccc1F)C(=O)O ACT11807 [0,2,0,0,0,0|2,0,0]=4 284 B11R1.265 COc1c(cccc1F)C=O ACT00618 [0,2,0,0,0,0|0,0,1]=3 285 B11R1.265 COc1cc[nH]c(=O)c1C#N ACT01571 [0,2,0,0,0,0|1,0,1]=4 286 B11R1.265 COc1cccc(c1C=O)O ACT04673 [0,2,0,0,0,0|0,0,1]=3 287 B11R1.265 COc1ccnc(c1C#N)Cl ACT06367 [0,2,0,0,0,0|1,0,1]=4 288 B11R1.267 COc1cccc(c1O)C=O ACT04671 [0,2,0,0,0,0|1,0,0]=3 289 B11R1.278 COc1ccc(c(c1I)F)F ACT10650 [0,2,0,0,0,0|1,0,0]=3 290 B11R1.41 c1ccc(c(c1)CCBr)C=O ACT09315 [0,2,0,0,0,0|1,0,1]=4 291 B11R1.86 Cc1cccnc1NC(=O)C ACT11134 [0,2,0,0,0,0|2,0,0]=4 292 B11R1.222 CCC(=O)c1ccccc1Cl ACT09952 [0,2,0,0,0,0|2,0,0]=4 293 B11R1.222 COC(=O)c1ccccc1I ACT05425 [0,2,0,0,0,0|1,0,0]=3 294 B11R1.222 COC(=O)c1cccnc1N ACT04509 [0,2,0,0,0,0|2,0,0]=4 295 B11R1.222 COC(=O)c1ccncc1I ACT11933 [0,2,0,0,0,0|2,0,0]=4 296 B11R1.222 COC(=O)c1ccncc1N ACT02409 [0,2,0,0,0,0|2,0,0]=4 297 B11R1.222 COC(=O)c1ccncc1O ACT11741 [0,2,0,0,0,0|2,0,0]=4 298 B11R1.222 COC(=O)c1cnccc1O ACT06909 [0,2,0,0,0,0|2,0,0]=4 299 B11R1.222 Cc1ccncc1C(=O)OC ACT03786 [0,2,0,0,0,0|1,0,0]=3 300 B11R1.222 c1ccc(c(c1)C(=O)CBr)Cl ACT00383 [0,2,0,0,0,0|2,0,0]=4 301 B11R1.37 COc1ccc(cc1C=O)Br ACT11826 [0,2,0,0,0,0|0,0,1]=3 302 B11R1.37 COc1ccc(cc1OC)O ACT11670 [0,2,0,0,0,0|0,0,0]=2 303 B11R1.53 B(c1cccnc1OC)(O)O ACT01468 [0,2,0,0,0,0|2,0,0]=4 304 B11R1.53 CCc1ccccc1C(=O)O ACT08461 [0,2,0,0,0,0|1,0,1]=4 305 B11R1.53 COc1ccccc1[N+](=O)[O-] ACT10571 [0,2,0,0,0,0|1,0,0]=3 306 B11R1.53 COc1cnccc1C(=O)O ACT01562 [0,2,0,0,0,0|1,0,1]=4 307 B11R1.166 B(c1ccc(cc1C)C)(O)O ACT11760 [0,2,0,0,0,0|2,0,0]=4 308 B11R1.166 CC(=O)c1ccc(cc1F)O ACT00564 [0,2,0,0,0,0|2,0,0]=4 309 B11R1.166 CC(C)c1ccc(cc1O)O ACT11045 [0,2,0,0,0,0|2,0,0]=4 310 B11R1.166 C[C@H](c1ccc(cc1F)Br)N ACT10400 [0,2,0,0,0,0|2,0,0]=4 311 B11R1.464 Cc1cc(cc(c1C=O)C)O ACT01019 [0,2,0,0,0,0|2,0,0]=4 312 B11R1.167 CC(=O)c1cc(ccc1O)Br ACT06775 [0,2,0,0,0,0|2,0,0]=4 313 B11R1.167 CC(=O)c1cc(ccc1O)F ACT08250 [0,2,0,0,0,0|2,0,0]=4 314 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])F ACT13393 [0,2,0,0,0,0|2,0,0]=4 315 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])O ACT07487 [0,2,0,0,0,0|2,0,0]=4 316 B11R1.280 COc1cc(ccc1Br)CO ACT09102 [0,2,0,0,0,0|1,0,0]=3 317 B11R1.280 COc1cc(ccc1F)C#N ACT11830 [0,2,0,0,0,0|1,0,0]=3 318 B11R1.280 COc1cc(ccc1O)CN ACT02775 [0,2,0,0,0,0|1,0,0]=3 319 B11R1.280 COc1ccc(c(c1)OC)N ACT00098 [0,2,0,0,0,0|1,0,0]=3 320 B11R1.87 CC(C)(C)c1ccccc1N ACT05022 [0,2,0,0,0,0|2,0,0]=4 321 B11R1.87 Cc1ccccc1S(=O)(=O)N ACT05663 [0,2,0,0,0,0|1,1,0]=4 322 B11R1.87 Cc1ccccc1S(=O)(=O)N ACT05667 [0,2,0,0,0,0|1,1,0]=4 323 B11R1.156 Cc1cccc(c1[N+](=O)[O-])Cl ACT04607 [0,2,0,0,0,0|2,0,0]=4 324 B11R2.106 c1cc2c(c(c1)Br)CC=C2 ACT04572 [0,1,0,1,0,0|1,0,1]=4 325 B11R2.10 CC1Cc2ccccc2O1 ACT04628 [0,1,0,1,0,0|0,0,0]=2 326 B11R2.10 c1ccc2c(c1)CC(=C2)Br ACT10966 [0,1,0,1,0,0|1,0,1]=4 327 B11R2.20 c1ccc2c(c1)NCCN2 ACT02791 [0,1,0,1,0,0|1,0,0]=3 328 B11R2.36 Cc1ccc2c(c1)CCN2 ACT10010 [0,1,0,1,0,0|1,0,0]=3 329 B11R2.36 c1cc(nc2c1CCC2)Cl ACT07572 [0,1,0,1,0,0|2,0,0]=4 330 B11R2.36 c1cc2c(cc1F)CNC2 ACT10050 [0,1,0,1,0,0|2,0,0]=4 331 B11R2.36 c1cc2c(cc1O)CNC2 ACT07176 [0,1,0,1,0,0|2,0,0]=4 332 B11R2.36 c1cc2c(cco2)cc1Br ACT09333 [0,1,0,1,0,0|0,0,2]=4 333 B7R1.1 CCc1ccco1 ACT06582 [1,0,0,0,1,0|2,0,0]=4 334 B7R1.1 CCc1ccsc1 ACT11601 [1,0,0,0,1,0|2,0,0]=4 335 B7R1.1 COc1cccs1 ACT11607 [1,0,0,0,1,0|1,0,0]=3 336 B7R1.1 COc1ccsc1 ACT11613 [1,0,0,0,1,0|1,0,0]=3 337 B7R1.4 Cc1c(cco1)S ACT06377 [1,0,0,0,1,0|1,1,0]=4 338 B7R1.4 Cc1ccnn1C ACT04243 [1,0,0,0,1,0|2,0,0]=4 339 B7R1.4 Cc1ccsc1Br ACT02266 [1,0,0,0,1,0|2,0,0]=4 340 B7R1.4 Cc1cscc1Br ACT08579 [1,0,0,0,1,0|2,0,0]=4