0 B10R1.10 CNCc1cccc(c1)Br ACT09067 [0,0,0,0,0,0|2,1,0]=3 1 B10R1.10 c1cc(cc(c1)Br)CCN ACT04669 [0,0,0,0,0,0|0,1,0]=1 2 B10R1.10 c1cc(cc(c1)F)CC#N ACT01184 [0,0,0,0,0,0|0,0,2]=2 3 B10R1.10 c1cc(cc(c1)F)CCN ACT05079 [0,0,0,0,0,0|0,0,0]=0 4 B10R1.10 c1cc(cc(c1)O)CCO ACT08257 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.2 C#Cc1cccc(c1)N ACT00085 [1,0,0,0,0,0|1,0,2]=4 6 B9R1.2 C=Cc1cccc(c1)Cl ACT07505 [1,0,0,0,0,0|0,1,2]=4 7 B9R1.2 COc1cc(ccn1)Br ACT01471 [1,0,0,0,0,0|2,1,0]=4 8 B9R1.2 COc1cc(cnc1)Br ACT10406 [1,0,0,0,0,0|2,1,0]=4 9 B9R1.2 COc1cccc(c1)Br ACT04958 [1,0,0,0,0,0|1,1,0]=3 10 B9R1.2 COc1cccc(c1)S ACT04985 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.2 COc1cccc(n1)Br ACT05651 [1,0,0,0,0,0|2,1,0]=4 12 B9R1.2 COc1cccc(n1)Cl ACT10158 [1,0,0,0,0,0|2,1,0]=4 13 B9R1.2 COc1cccc(n1)N ACT01441 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.2 COc1ccnc(c1)N ACT04461 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.2 Cc1cccc(c1)C#C ACT10255 [1,0,0,0,0,0|1,0,2]=4 16 B9R1.2 Cc1cccc(c1)NN ACT08527 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.2 Cc1cccc(n1)CO ACT07360 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.2 c1c(cncc1Br)CO ACT01585 [1,0,0,0,0,0|2,1,0]=4 19 B9R1.2 c1c(cncc1Cl)CO ACT07609 [1,0,0,0,0,0|2,1,0]=4 20 B9R1.2 c1cc(c[n+](c1)[O-])CN ACT11995 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.2 c1cc(cc(c1)Br)C#N ACT00928 [1,0,0,0,0,0|0,1,2]=4 22 B9R1.2 c1cc(cc(c1)Br)CBr ACT01196 [1,0,0,0,0,0|1,1,0]=3 23 B9R1.2 c1cc(cc(c1)Br)CO ACT13271 [1,0,0,0,0,0|1,1,0]=3 24 B9R1.2 c1cc(cc(c1)Br)NN ACT07730 [1,0,0,0,0,0|1,1,0]=3 25 B9R1.2 c1cc(cc(c1)Cl)NN ACT07638 [1,0,0,0,0,0|1,1,0]=3 26 B9R1.2 c1cc(cc(c1)F)NN ACT12550 [1,0,0,0,0,0|1,0,0]=2 27 B9R1.2 c1cc(cc(c1)I)C#N ACT01185 [1,0,0,0,0,0|0,1,2]=4 28 B9R1.2 c1cc(nc(c1)Br)CO ACT01286 [1,0,0,0,0,0|2,1,0]=4 29 B9R1.2 c1cc(nc(c1)Br)NN ACT07724 [1,0,0,0,0,0|2,1,0]=4 30 B9R1.2 c1cc(nc(c1)Cl)CO ACT04533 [1,0,0,0,0,0|2,1,0]=4 31 B9R1.2 c1cc(nc(c1)Cl)CO ACT10674 [1,0,0,0,0,0|2,1,0]=4 32 B9R1.2 c1cc(nc(c1)Cl)NN ACT04501 [1,0,0,0,0,0|2,1,0]=4 33 B9R1.2 c1cnc(cc1CN)Br ACT11159 [1,0,0,0,0,0|1,1,0]=3 34 B9R1.2 c1cnc(cc1CO)Br ACT05523 [1,0,0,0,0,0|2,1,0]=4 35 B9R1.2 c1cnc(cc1Cl)CO ACT04531 [1,0,0,0,0,0|2,1,0]=4 36 B9R1.2 c1cnc(cc1NN)Cl ACT11355 [1,0,0,0,0,0|2,1,0]=4 37 B9R1.8 C=CCc1ccccc1 ACT11557 [1,0,0,0,0,0|1,0,1]=3 38 B9R1.8 CNCc1ccccc1 ACT05529 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.8 CSSc1ccccc1 ACT06218 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.8 c1cc(cnc1)CCN ACT01355 [1,0,0,0,0,0|1,0,0]=2 41 B9R1.8 c1ccc(cc1)CCBr ACT03430 [1,0,0,0,0,0|1,0,0]=2 42 B9R1.8 c1ccc(cc1)CCCl ACT03431 [1,0,0,0,0,0|1,0,0]=2 43 B9R1.8 c1ccc(cc1)CCS ACT06273 [1,0,0,0,0,0|1,0,0]=2 44 B9R1.8 c1ccnc(c1)CCBr ACT10142 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.8 c1cnccc1CCN ACT01588 [1,0,0,0,0,0|1,0,0]=2 46 B9R1.8 c1cnccc1CCO ACT09815 [1,0,0,0,0,0|2,0,0]=3 47 B11R1.157 c1cc(cc(c1)Cl)CC(=O)N ACT09874 [0,1,0,0,0,0|0,1,1]=3 48 B11R2.36 Cc1ccc2c(c1)CCN2 ACT10010 [0,0,0,1,0,0|1,0,0]=2 49 B11R2.36 c1cc(nc2c1CCC2)Cl ACT07572 [0,0,0,1,0,0|2,1,0]=4 50 B11R2.36 c1cc2c(cc1Br)cn[nH]2 ACT01779 [0,0,0,1,0,0|1,1,1]=4 51 B11R2.36 c1cc2c(cc1Cl)cn[nH]2 ACT10091 [0,0,0,1,0,0|1,1,1]=4 52 B11R2.36 c1cc2c(cc1F)CNC2 ACT10050 [0,0,0,1,0,0|2,0,0]=3 53 B11R2.36 c1cc2c(cc1N)nc[nH]2 ACT10631 [0,0,0,1,0,0|2,0,1]=4 54 B11R2.36 c1cc2c(cc1O)CNC2 ACT07176 [0,0,0,1,0,0|3,0,0]=4 55 B11R2.106 c1cc2c(cc[nH]2)c(c1)F ACT02471 [0,0,0,1,0,0|2,0,1]=4 56 B11R2.106 c1cc2cc[nH]c2c(c1)Br ACT02474 [0,0,0,1,0,0|0,1,2]=4 57 B11R2.106 c1cc2cc[nH]c2c(c1)Cl ACT02498 [0,0,0,1,0,0|0,1,2]=4 58 B11R2.106 c1cc2cc[nH]c2c(c1)F ACT02485 [0,0,0,1,0,0|0,0,2]=3 59 B8R1.2 C#Cc1ccccc1 ACT08960 [2,0,0,0,0,0|0,0,2]=4 60 B8R1.2 COc1ccccn1 ACT06584 [2,0,0,0,0,0|2,0,0]=4 61 B8R1.2 COc1ccncc1 ACT01615 [2,0,0,0,0,0|2,0,0]=4 62 B8R1.2 c1ccc(cc1)CS ACT06261 [2,0,0,0,0,0|1,0,0]=3 63 B8R1.2 c1cnc(cn1)CN ACT11863 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.2 c1cnccc1CO ACT05965 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.4 Cc1cc(ccn1)N ACT01463 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.4 Cc1cc(cnc1)Br ACT06735 [2,0,0,0,0,0|1,1,0]=4 67 B8R1.4 Cc1cc(cnc1)N ACT06734 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.4 Cc1cccc(c1)I ACT05470 [2,0,0,0,0,0|0,1,0]=3 69 B8R1.4 Cc1cccc(n1)Br ACT01537 [2,0,0,0,0,0|1,1,0]=4 70 B8R1.4 Cc1cccc(n1)Cl ACT01505 [2,0,0,0,0,0|1,1,0]=4 71 B8R1.4 Cc1cccc(n1)N ACT01440 [2,0,0,0,0,0|2,0,0]=4 72 B8R1.4 Cc1cccc(n1)O ACT06907 [2,0,0,0,0,0|2,0,0]=4 73 B8R1.4 Cc1ccnc(c1)Br ACT04704 [2,0,0,0,0,0|1,1,0]=4 74 B8R1.4 Cc1ccnc(c1)Cl ACT05469 [2,0,0,0,0,0|1,1,0]=4 75 B8R1.4 Cc1ccnc(c1)N ACT11127 [2,0,0,0,0,0|2,0,0]=4 76 B8R1.4 Cc1ccnc(c1)O ACT08283 [2,0,0,0,0,0|2,0,0]=4 77 B8R1.4 c1c(cncc1Br)F ACT01290 [2,0,0,0,0,0|2,0,0]=4 78 B8R1.4 c1c(cncc1Br)F ACT01290 [2,0,0,0,0,0|2,0,0]=4 79 B8R1.4 c1c(cncc1Br)N ACT01375 [2,0,0,0,0,0|1,1,0]=4 80 B8R1.4 c1c(cncc1Br)N ACT01375 [2,0,0,0,0,0|1,1,0]=4 81 B8R1.4 c1c(cncc1Cl)N ACT11036 [2,0,0,0,0,0|1,1,0]=4 82 B8R1.4 c1c(cncc1F)O ACT05333 [2,0,0,0,0,0|2,0,0]=4 83 B8R1.4 c1cc(c[n+](c1)[O-])F ACT04429 [2,0,0,0,0,0|2,0,0]=4 84 B8R1.4 c1cc(cc(c1)Br)Br ACT03347 [2,0,0,0,0,0|1,1,0]=4 85 B8R1.4 c1cc(cc(c1)Br)Cl ACT03422 [2,0,0,0,0,0|1,1,0]=4 86 B8R1.4 c1cc(cc(c1)Br)N ACT07924 [2,0,0,0,0,0|0,1,0]=3 87 B8R1.4 c1cc(cc(c1)F)N ACT05075 [2,0,0,0,0,0|0,0,0]=2 88 B8R1.4 c1cc(cc(c1)I)Br ACT05730 [2,0,0,0,0,0|1,1,0]=4 89 B8R1.4 c1cc(cc(c1)I)N ACT11585 [2,0,0,0,0,0|0,1,0]=3 90 B8R1.4 c1cc(cc(c1)I)O ACT00797 [2,0,0,0,0,0|1,1,0]=4 91 B8R1.4 c1cc(cc(c1)O)N ACT04954 [2,0,0,0,0,0|1,0,0]=3 92 B8R1.4 c1cc(cc(c1)O)N ACT07279 [2,0,0,0,0,0|1,0,0]=3 93 B8R1.4 c1cc(nc(c1)Br)N ACT03472 [2,0,0,0,0,0|1,1,0]=4 94 B8R1.4 c1cc(nc(c1)Cl)N ACT04480 [2,0,0,0,0,0|1,1,0]=4 95 B8R1.4 c1cc(nc(c1)F)N ACT01340 [2,0,0,0,0,0|1,0,0]=3 96 B8R1.4 c1cc(nc(c1)O)N ACT01322 [2,0,0,0,0,0|2,0,0]=4 97 B8R1.4 c1cnc(cc1Br)N ACT01309 [2,0,0,0,0,0|1,1,0]=4 98 B8R1.4 c1cnc(cc1Cl)N ACT01317 [2,0,0,0,0,0|1,1,0]=4 99 B8R1.4 c1cnc(cc1I)F ACT07574 [2,0,0,0,0,0|2,0,0]=4 100 B8R1.4 c1cnc(cc1N)Br ACT01351 [2,0,0,0,0,0|1,1,0]=4 101 B8R1.4 c1cnc(cc1O)N ACT01285 [2,0,0,0,0,0|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 B10R1.2 c1cc(c(c(c1)F)O)C=O ACT05904 [1,1,0,0,0,0|1,0,1]=4 106 B10R1.8 Cc1cc(cc(c1)F)C#N ACT11845 [1,1,0,0,0,0|0,0,2]=4 107 B10R1.8 Cc1cc(cc(c1)NN)C ACT08450 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.8 c1c(cc(cc1Cl)Cl)CN ACT00776 [1,1,0,0,0,0|0,1,0]=3 109 B10R1.8 c1c(cc(cc1Cl)Cl)NN ACT08519 [1,1,0,0,0,0|1,1,0]=4 110 B10R1.8 c1c(cc(cc1F)F)NN ACT08208 [1,1,0,0,0,0|1,0,0]=3 111 B10R1.8 c1c(cc(cc1O)F)C#N ACT11852 [1,1,0,0,0,0|0,0,2]=4 112 B10R1.30 COc1cc(ccc1Br)O ACT11735 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.30 COc1cc(ccc1N)Br ACT00157 [1,1,0,0,0,0|1,1,0]=4 114 B10R1.30 Cc1ccc(c(c1)NN)C ACT08374 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.30 Cc1ccc(cc1NN)F ACT12555 [1,1,0,0,0,0|1,0,0]=3 116 B10R1.30 c1cc(c(cc1Cl)NN)Cl ACT11122 [1,1,0,0,0,0|1,1,0]=4 117 B10R1.30 c1cc(c(cc1F)C=O)O ACT03079 [1,1,0,0,0,0|1,0,1]=4 118 B10R1.30 c1cc(c(cc1F)CO)Br ACT09673 [1,1,0,0,0,0|1,0,0]=3 119 B10R1.30 c1cc(c(cc1F)NN)F ACT07367 [1,1,0,0,0,0|1,0,0]=3 120 B10R1.113 CC(=O)c1cccc(c1)F ACT04233 [1,1,0,0,0,0|0,0,1]=3 121 B10R1.172 CCc1cccc(n1)CO ACT09077 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.172 COc1cccc(c1)C#C ACT00933 [1,1,0,0,0,0|2,0,0]=4 123 B10R1.172 COc1cccc(c1)NN ACT08057 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.172 c1cc(cc(c1)NN)C#N ACT07384 [1,1,0,0,0,0|2,0,0]=4 125 B10R1.176 COc1ccc(c(c1)N)Cl ACT00073 [1,1,0,0,0,0|2,0,0]=4 126 B10R1.176 COc1ccc(c(c1)N)Cl ACT07778 [1,1,0,0,0,0|2,0,0]=4 127 B10R1.176 Cc1cc(ccc1Br)OC ACT08088 [1,1,0,0,0,0|2,0,0]=4 128 B10R1.176 Cc1cc(ccc1F)CN ACT00364 [1,1,0,0,0,0|1,0,0]=3 129 B10R1.176 Cc1ccc(cc1C)NN ACT02975 [1,1,0,0,0,0|2,0,0]=4 130 B10R1.176 c1cc(c(cc1C#N)F)O ACT11858 [1,1,0,0,0,0|0,0,2]=4 131 B10R1.176 c1cc(c(cc1CCl)Cl)Cl ACT00762 [1,1,0,0,0,0|1,1,0]=4 132 B10R1.176 c1cc(c(cc1NN)Cl)Cl ACT07443 [1,1,0,0,0,0|1,1,0]=4 133 B10R1.176 c1cc(c(cc1NN)Cl)F ACT07371 [1,1,0,0,0,0|1,1,0]=4 134 B10R1.176 c1cc(c(cc1NN)F)F ACT00750 [1,1,0,0,0,0|1,0,0]=3 135 B10R1.1 c1cc(ccc1CCN)Br ACT00295 [1,1,0,0,0,0|0,0,0]=2 136 B10R1.4 C=CCc1ccccc1O ACT04626 [1,1,0,0,0,0|1,0,1]=4 137 B10R1.4 CCNc1ccccc1C ACT11407 [1,1,0,0,0,0|2,0,0]=4 138 B10R1.4 c1ccc(c(c1)CCBr)F ACT10293 [1,1,0,0,0,0|1,0,0]=3 139 B10R1.4 c1ccc(c(c1)CCO)O ACT04258 [1,1,0,0,0,0|1,0,0]=3 140 B10R1.15 C#CC(c1ccccc1)O ACT09707 [1,1,0,0,0,0|1,0,1]=4 141 B10R1.15 c1ccc(cc1)[C@@H](CO)N ACT03157 [1,1,0,0,0,0|1,0,0]=3 142 B10R1.15 c1ccc(cc1)[C@H](CO)N ACT02360 [1,1,0,0,0,0|1,0,0]=3 143 B10R1.17 C=CCOc1ccccc1 ACT11556 [1,1,0,0,0,0|1,0,1]=4 144 B10R1.17 CCCCc1ccccn1 ACT09789 [1,1,0,0,0,0|2,0,0]=4 145 B10R1.17 CCCCc1cccnc1 ACT09823 [1,1,0,0,0,0|2,0,0]=4 146 B10R1.17 CNCCc1ccccn1 ACT05580 [1,1,0,0,0,0|1,0,0]=3 147 B10R1.17 CNCCc1ccccn1 ACT05583 [1,1,0,0,0,0|1,0,0]=3 148 B10R1.17 CNCCc1ccncc1 ACT01599 [1,1,0,0,0,0|1,0,0]=3 149 B10R1.17 c1ccc(cc1)C#CCO ACT02992 [1,1,0,0,0,0|1,0,1]=4 150 B10R1.18 C[C@H](Cc1ccccc1)N ACT09042 [1,1,0,0,0,0|0,0,0]=2 151 B10R1.18 c1ccc(cc1)CC(=O)N ACT04844 [1,1,0,0,0,0|0,0,1]=3 152 B12R1.13 Cc1cccc(c1)C(CN)CO ACT10046 [0,2,0,0,0,0|1,0,0]=3 153 B12R1.17 c1cc(cc(c1)Br)[C@@H](CCO)N ACT07734 [0,2,0,0,0,0|1,1,0]=4 154 B12R1.17 c1cc(cc(c1)Cl)C(CCO)N ACT05008 [0,2,0,0,0,0|1,1,0]=4 155 B12R1.17 c1cc(cc(c1)Cl)[C@H](CCO)N ACT07802 [0,2,0,0,0,0|1,1,0]=4 156 B12R1.367 c1cc(c(cc1[C@H](CN)O)O)O ACT11131 [0,2,0,0,0,0|1,0,0]=3 157 B10R2.7 c1cc2c(nc1)CCC2 ACT01400 [1,0,0,1,0,0|2,0,0]=4 158 B10R2.7 c1ccc2c(c1)[nH]cn2 ACT05819 [1,0,0,1,0,0|1,0,1]=4 159 B12R2.202 c1cc2c(c(c1)Br)NC(=O)C2 ACT06670 [0,1,0,1,0,0|0,1,1]=4 160 B12R2.202 c1cc2c(c(c1)Cl)NC(=O)C2 ACT06669 [0,1,0,1,0,0|0,1,1]=4 161 B12R2.202 c1cc2c(c(c1)F)NC(=O)C2 ACT02565 [0,1,0,1,0,0|0,0,1]=3 162 B12R2.132 Cc1c[nH]c2c1cc(cc2)F ACT02529 [0,1,0,1,0,0|0,0,2]=4 163 B12R2.132 c1cc2c(cc1F)C(=O)CC2 ACT08311 [0,1,0,1,0,0|1,0,1]=4 164 B12R2.196 c1cc2c(c(c1)F)CCC2=O ACT10896 [0,1,0,1,0,0|1,0,1]=4 165 B12R2.203 c1cc2c(c(c1)Br)C(=O)CC2 ACT08016 [0,1,0,1,0,0|1,1,0]=4 166 B12R2.203 c1cc2c(c(c1)F)C(=O)CC2 ACT03106 [0,1,0,1,0,0|1,0,0]=3 167 B12R2.612 c1cc2c(cc1Br)CCC2=O ACT02586 [0,1,0,1,0,0|1,1,0]=4 168 B12R2.612 c1cc2c(cc1Br)OCC2N ACT10671 [0,1,0,1,0,0|0,1,0]=3 169 B12R2.612 c1cc2c(cc1Cl)CCC2=O ACT02585 [0,1,0,1,0,0|1,1,0]=4 170 B12R2.612 c1cc2c(cc1F)CCC2=O ACT08254 [0,1,0,1,0,0|1,0,0]=3 171 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 ACT02547 [0,1,0,1,0,0|0,1,1]=4 172 B12R2.44 COc1ccc2c(c1)CCN2 ACT02538 [0,1,0,1,0,0|1,0,0]=3 173 B12R2.44 c1cc2c(cc1C=O)CCO2 ACT04495 [0,1,0,1,0,0|2,0,0]=4