0 B10R1.4 C=CCc1ccccc1O ACT04626 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.4 CCNc1ccccc1C ACT11407 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.4 c1ccc(c(c1)CCBr)F ACT10293 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.4 c1ccc(c(c1)CCO)O ACT04258 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.8 C=CCc1ccccc1 ACT11557 [1,0,0,0,0,0|1,0,1]=3 5 B9R1.8 CNCc1ccccc1 ACT05529 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.8 CSSc1ccccc1 ACT06218 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.8 c1cc(cnc1)CCN ACT01355 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.8 c1ccc(cc1)CCBr ACT03430 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.8 c1ccc(cc1)CCCl ACT03431 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.8 c1ccc(cc1)CCS ACT06273 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.8 c1ccnc(c1)CCBr ACT10142 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.8 c1cnccc1CCN ACT01588 [1,0,0,0,0,0|1,0,0]=2 13 B9R1.8 c1cnccc1CCO ACT09815 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.15 C#Cc1ccccc1F ACT10250 [1,0,0,0,0,0|0,0,2]=3 15 B9R1.15 COc1c(cccn1)I ACT04432 [1,0,0,0,0,0|2,1,0]=4 16 B9R1.15 COc1c(cccn1)N ACT07498 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.15 COc1ccc[nH]c1=O ACT09226 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.15 COc1ccccc1Br ACT04851 [1,0,0,0,0,0|1,1,0]=3 19 B9R1.15 CSc1c(cccn1)Br ACT04436 [1,0,0,0,0,0|2,1,0]=4 20 B9R1.15 Cc1ccccc1C#C ACT10245 [1,0,0,0,0,0|1,0,2]=4 21 B9R1.15 Cc1ccccc1NN ACT08523 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.15 c1cc(c(nc1)Cl)CN ACT10471 [1,0,0,0,0,0|1,1,0]=3 23 B9R1.15 c1cc(c(nc1)Cl)CO ACT01477 [1,0,0,0,0,0|2,1,0]=4 24 B9R1.15 c1cc(c(nc1)N)CO ACT04341 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.15 c1ccc(c(c1)C#N)Cl ACT08962 [1,0,0,0,0,0|0,1,2]=4 26 B9R1.15 c1ccc(c(c1)C#N)I ACT12520 [1,0,0,0,0,0|0,1,2]=4 27 B9R1.15 c1ccc(c(c1)CBr)F ACT00245 [1,0,0,0,0,0|1,0,0]=2 28 B9R1.15 c1ccc(c(c1)CCl)I ACT05459 [1,0,0,0,0,0|1,1,0]=3 29 B9R1.15 c1ccc(c(c1)CN)N ACT09072 [1,0,0,0,0,0|1,0,0]=2 30 B9R1.15 c1ccc(c(c1)CO)I ACT05458 [1,0,0,0,0,0|1,1,0]=3 31 B9R1.15 c1ccc(c(c1)CO)N ACT09816 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.15 c1ccc(c(c1)NN)Br ACT02736 [1,0,0,0,0,0|1,1,0]=3 33 B9R1.15 c1ccc(c(c1)NN)Cl ACT12543 [1,0,0,0,0,0|1,1,0]=3 34 B9R1.15 c1ccc(c(c1)NN)F ACT00607 [1,0,0,0,0,0|1,0,0]=2 35 B9R1.15 c1cncc(c1C#N)F ACT11219 [1,0,0,0,0,0|1,0,2]=4 36 B9R1.15 c1cncc(c1Cl)CO ACT07419 [1,0,0,0,0,0|2,1,0]=4 37 B11R1.41 c1ccc(c(c1)CCBr)C=O ACT09315 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.222 CCC(=O)c1ccccc1Cl ACT09952 [0,1,0,0,0,0|1,1,1]=4 39 B11R1.222 c1ccc(c(c1)C(=O)CBr)Cl ACT00383 [0,1,0,0,0,0|1,1,1]=4 40 B9R0.45 CCCC\C=C\C=C\C=O ACT06049 [0,0,1,0,0,0|2,0,1]=4 41 B11R2.10 CC1Cc2ccccc2O1 ACT04628 [0,0,0,1,0,0|2,0,0]=3 42 B11R2.10 c1ccc2c(c1)CC(=C2)Br ACT10966 [0,0,0,1,0,0|2,0,1]=4 43 B11R2.20 c1ccc2c(c1)NCCN2 ACT02791 [0,0,0,1,0,0|3,0,0]=4 44 B11R2.106 c1cc(c2cc[nH]c2c1)N ACT02512 [0,0,0,1,0,0|1,0,2]=4 45 B11R2.106 c1cc2c(c(c1)Br)CC=C2 ACT04572 [0,0,0,1,0,0|1,1,1]=4 46 B11R2.106 c1cc2c(cc[nH]2)c(c1)F ACT02471 [0,0,0,1,0,0|0,0,2]=3 47 B11R2.106 c1cc2c(cc[nH]2)c(c1)O ACT02464 [0,0,0,1,0,0|1,0,2]=4 48 B11R2.106 c1cc2cc[nH]c2c(c1)F ACT02485 [0,0,0,1,0,0|2,0,1]=4 49 B11R2.106 c1nc(c2c(n1)NCC2)N ACT06075 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.2 C#Cc1ccccc1 ACT08960 [2,0,0,0,0,0|0,0,2]=4 51 B8R1.2 COc1ccccn1 ACT06584 [2,0,0,0,0,0|2,0,0]=4 52 B8R1.2 COc1ccncc1 ACT01615 [2,0,0,0,0,0|2,0,0]=4 53 B8R1.2 c1ccc(cc1)CS ACT06261 [2,0,0,0,0,0|1,0,0]=3 54 B8R1.2 c1cnc(cn1)CN ACT11863 [2,0,0,0,0,0|2,0,0]=4 55 B8R1.2 c1cnccc1CO ACT05965 [2,0,0,0,0,0|2,0,0]=4 56 B8R1.5 Cc1c(cccn1)N ACT01459 [2,0,0,0,0,0|2,0,0]=4 57 B8R1.5 Cc1c(cccn1)N ACT01459 [2,0,0,0,0,0|2,0,0]=4 58 B8R1.5 Cc1c(cccn1)O ACT01461 [2,0,0,0,0,0|2,0,0]=4 59 B8R1.5 Cc1ccc[nH]c1=O ACT01511 [2,0,0,0,0,0|2,0,0]=4 60 B8R1.5 Cc1ccccc1I ACT05468 [2,0,0,0,0,0|0,1,0]=3 61 B8R1.5 Cc1cccnc1Br ACT06975 [2,0,0,0,0,0|1,1,0]=4 62 B8R1.5 Cc1cccnc1N ACT04697 [2,0,0,0,0,0|2,0,0]=4 63 B8R1.5 Cc1ccncc1N ACT01358 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.5 Cc1cnccc1N ACT01603 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.5 c1cc(c(nc1)Br)N ACT03644 [2,0,0,0,0,0|1,1,0]=4 66 B8R1.5 c1cc(c(nc1)Cl)F ACT01345 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.5 c1cc(c(nc1)F)I ACT01260 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.5 c1cc(c(nc1)F)O ACT07366 [2,0,0,0,0,0|2,0,0]=4 69 B8R1.5 c1cc(c(nc1)I)F ACT04430 [2,0,0,0,0,0|2,0,0]=4 70 B8R1.5 c1cc(c(nc1)N)I ACT11375 [2,0,0,0,0,0|1,1,0]=4 71 B8R1.5 c1cc(c(nc1)N)N ACT01388 [2,0,0,0,0,0|2,0,0]=4 72 B8R1.5 c1cc(c(nc1)O)N ACT01552 [2,0,0,0,0,0|2,0,0]=4 73 B8R1.5 c1ccc(c(c1)Br)Br ACT07584 [2,0,0,0,0,0|1,1,0]=4 74 B8R1.5 c1ccc(c(c1)Br)I ACT05474 [2,0,0,0,0,0|1,1,0]=4 75 B8R1.5 c1ccc(c(c1)Cl)Br ACT03421 [2,0,0,0,0,0|1,1,0]=4 76 B8R1.5 c1ccc(c(c1)N)Br ACT07744 [2,0,0,0,0,0|0,1,0]=3 77 B8R1.5 c1ccc(c(c1)N)I ACT07811 [2,0,0,0,0,0|0,1,0]=3 78 B8R1.5 c1ccc(c(c1)O)I ACT05465 [2,0,0,0,0,0|1,1,0]=4 79 B8R1.5 c1ccc(c(c1)S)S ACT11907 [2,0,0,0,0,0|2,0,0]=4 80 B8R1.5 c1cncc(c1I)F ACT11381 [2,0,0,0,0,0|2,0,0]=4 81 B8R1.5 c1cncc(c1N)Br ACT01578 [2,0,0,0,0,0|1,1,0]=4 82 B10R1.1 c1cc(ccc1CCN)Br ACT00295 [1,1,0,0,0,0|0,0,0]=2 83 B10R1.10 CNCc1cccc(c1)Br ACT09067 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.10 c1cc(cc(c1)Br)CCN ACT04669 [1,1,0,0,0,0|0,0,0]=2 85 B10R1.10 c1cc(cc(c1)F)CC#N ACT01184 [1,1,0,0,0,0|0,0,2]=4 86 B10R1.10 c1cc(cc(c1)F)CCN ACT05079 [1,1,0,0,0,0|0,0,0]=2 87 B10R1.10 c1cc(cc(c1)O)CCO ACT08257 [1,1,0,0,0,0|1,0,0]=3 88 B10R1.15 C#CC(c1ccccc1)O ACT09707 [1,1,0,0,0,0|1,0,1]=4 89 B10R1.15 c1ccc(cc1)[C@@H](CO)N ACT03157 [1,1,0,0,0,0|1,0,0]=3 90 B10R1.15 c1ccc(cc1)[C@H](CO)N ACT02360 [1,1,0,0,0,0|1,0,0]=3 91 B10R1.17 C=CCOc1ccccc1 ACT11556 [1,1,0,0,0,0|1,0,1]=4 92 B10R1.17 CCCCc1ccccn1 ACT09789 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.17 CCCCc1cccnc1 ACT09823 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.17 CNCCc1ccccn1 ACT05580 [1,1,0,0,0,0|1,0,0]=3 95 B10R1.17 CNCCc1ccccn1 ACT05583 [1,1,0,0,0,0|1,0,0]=3 96 B10R1.17 CNCCc1ccncc1 ACT01599 [1,1,0,0,0,0|1,0,0]=3 97 B10R1.17 c1ccc(cc1)C#CCO ACT02992 [1,1,0,0,0,0|1,0,1]=4 98 B10R1.18 C[C@H](Cc1ccccc1)N ACT09042 [1,1,0,0,0,0|0,0,0]=2 99 B10R1.18 c1ccc(cc1)CC(=O)N ACT04844 [1,1,0,0,0,0|0,0,1]=3 100 B10R1.2 CCc1c(c(ncn1)O)F ACT04910 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.2 CCc1c(c(ncn1)O)F ACT11800 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.2 Cc1cccc(c1C)NN ACT07154 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.2 c1cc(c(c(c1)Cl)Cl)NN ACT07570 [1,1,0,0,0,0|1,1,0]=4 104 B10R1.2 c1cc(c(c(c1)F)F)C#N ACT11860 [1,1,0,0,0,0|0,0,2]=4 105 B10R1.20 CCc1ccccc1NN ACT06865 [1,1,0,0,0,0|1,0,0]=3 106 B10R1.20 COc1ccccc1NN ACT12535 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.25 COc1ccc(cc1F)N ACT00950 [1,1,0,0,0,0|1,0,0]=3 108 B10R1.25 Cc1ccc(c(c1)C)NN ACT08448 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.25 Cc1ccc(c(c1)Cl)NN ACT08995 [1,1,0,0,0,0|1,1,0]=4 110 B10R1.25 c1cc(c(cc1Br)F)C#N ACT11802 [1,1,0,0,0,0|0,0,2]=4 111 B10R1.25 c1cc(c(cc1Cl)Cl)NN ACT08308 [1,1,0,0,0,0|1,1,0]=4 112 B10R1.25 c1cc(c(cc1Cl)F)C=O ACT00558 [1,1,0,0,0,0|1,0,1]=4 113 B10R1.25 c1cc(c(cc1F)Cl)NN ACT09483 [1,1,0,0,0,0|1,1,0]=4 114 B10R1.25 c1cc(c(cc1F)F)NN ACT00457 [1,1,0,0,0,0|1,0,0]=3 115 B10R1.25 c1cc(c(cc1I)F)C#N ACT00553 [1,1,0,0,0,0|0,0,2]=4 116 B10R1.30 COc1cc(ccc1Br)O ACT11735 [1,1,0,0,0,0|1,1,0]=4 117 B10R1.30 COc1cc(ccc1N)Br ACT00157 [1,1,0,0,0,0|2,0,0]=4 118 B10R1.30 Cc1ccc(c(c1)NN)C ACT08374 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.30 Cc1ccc(cc1NN)F ACT12555 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.30 c1cc(c(cc1Cl)NN)Cl ACT11122 [1,1,0,0,0,0|1,1,0]=4 121 B10R1.30 c1cc(c(cc1F)CO)Br ACT09673 [1,1,0,0,0,0|1,1,0]=4 122 B10R1.30 c1cc(c(cc1F)NN)F ACT07367 [1,1,0,0,0,0|1,0,0]=3 123 B10R1.61 B(c1ccccc1F)(O)O ACT02197 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.61 CC(=O)c1ccccc1Cl ACT06884 [1,1,0,0,0,0|0,1,1]=4 125 B10R1.61 CC(=O)c1ccccc1F ACT10960 [1,1,0,0,0,0|0,0,1]=3 126 B10R1.61 CC(=O)c1ccccc1N ACT05476 [1,1,0,0,0,0|1,0,1]=4 127 B10R1.61 CC(=O)c1ccccc1O ACT05307 [1,1,0,0,0,0|1,0,1]=4 128 B10R1.61 CC(c1ccccc1O)N ACT10543 [1,1,0,0,0,0|1,0,0]=3 129 B10R1.61 C[C@H](c1ccccc1O)N ACT07994 [1,1,0,0,0,0|1,0,0]=3 130 B10R1.61 Cc1ccccc1C(=O)C ACT07828 [1,1,0,0,0,0|1,0,1]=4 131 B10R1.245 Cc1cccc(c1NN)C ACT07688 [1,1,0,0,0,0|2,0,0]=4 132 B10R1.245 c1cc(c(c(c1)Br)C#N)F ACT11849 [1,1,0,0,0,0|0,0,2]=4 133 B10R1.245 c1cc(c(c(c1)Cl)NN)Cl ACT08223 [1,1,0,0,0,0|1,1,0]=4 134 B10R1.245 c1cc(c(c(c1)F)C#N)N ACT11801 [1,1,0,0,0,0|0,0,2]=4 135 B10R1.245 c1cc(c(c(c1)F)C#N)O ACT11844 [1,1,0,0,0,0|0,0,2]=4 136 B12R1.121 COc1ccccc1OCCN ACT03573 [0,2,0,0,0,0|1,0,0]=3 137 B12R1.125 c1ccc(c(c1)NCC(=O)O)F ACT09813 [0,2,0,0,0,0|1,0,1]=4 138 B12R1.151 Cc1ccccc1CC(C)(C)N ACT08619 [0,2,0,0,0,0|1,0,0]=3 139 B10R2.7 c1cc2c(nc1)CCC2 ACT01400 [1,0,0,1,0,0|2,0,0]=4 140 B10R2.7 c1ccc2c(c1)[nH]cn2 ACT05819 [1,0,0,1,0,0|1,0,1]=4 141 B12R2.202 c1cc2c(c(c1)Br)CC(=O)N2 ACT06658 [0,1,0,1,0,0|0,1,1]=4 142 B12R2.1081 CC1c2ccccc2CCN1 ACT04902 [0,1,0,1,0,0|1,0,0]=3 143 B12R2.196 c1cc2c(c(c1)Br)CCC2=O ACT02584 [0,1,0,1,0,0|1,1,0]=4 144 B12R2.196 c1cc2c(c(c1)F)CCC2=O ACT10896 [0,1,0,1,0,0|1,0,0]=3 145 B12R2.196 c1cc2c(c(c1)O)CCC2=O ACT10816 [0,1,0,1,0,0|2,0,0]=4 146 B12R2.18 c1ccc2c(c1)CC(C2=O)Br ACT04557 [0,1,0,1,0,0|2,0,0]=4 147 B12R2.315 C=Cc1cccc2c1CCO2 ACT11037 [0,1,0,1,0,0|2,0,0]=4 148 B12R2.203 c1cc2c(c(c1)F)C(=O)CC2 ACT03106 [0,1,0,1,0,0|1,0,1]=4