0 B10R1.1 c1cc(ccc1CCN)Br ACT00295 [0,0,0,0,0,0|0,1,0]=1 1 B9R1.1 C#Cc1ccc(cc1)Br ACT10256 [1,0,0,0,0,0|0,1,2]=4 2 B9R1.1 C#Cc1ccc(cc1)F ACT00296 [1,0,0,0,0,0|0,0,2]=3 3 B9R1.1 C1=CC(=O)C=CC1=NO ACT05401 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.1 C=Cc1ccc(cc1)Cl ACT07088 [1,0,0,0,0,0|0,1,2]=4 5 B9R1.1 COc1ccc(cc1)Br ACT04984 [1,0,0,0,0,0|1,1,0]=3 6 B9R1.1 COc1ccc(cn1)Br ACT01474 [1,0,0,0,0,0|2,1,0]=4 7 B9R1.1 COc1ccc(cn1)O ACT11358 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.1 Cc1ccc(cc1)C#C ACT10257 [1,0,0,0,0,0|1,0,2]=4 9 B9R1.1 Cc1ccc(cc1)NN ACT01152 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.1 c1cc(ccc1C#N)Br ACT01176 [1,0,0,0,0,0|0,1,2]=4 11 B9R1.1 c1cc(ccc1C#N)I ACT08158 [1,0,0,0,0,0|0,1,2]=4 12 B9R1.1 c1cc(ccc1C=O)O ACT01156 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.1 c1cc(ccc1CO)N ACT00253 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.1 c1cc(ccc1NN)Br ACT12528 [1,0,0,0,0,0|1,1,0]=3 15 B9R1.1 c1cc(ccc1NN)Cl ACT02825 [1,0,0,0,0,0|1,1,0]=3 16 B9R1.1 c1cc(ccc1NN)F ACT08904 [1,0,0,0,0,0|1,0,0]=2 17 B9R1.1 c1cc(ncc1Br)NN ACT04516 [1,0,0,0,0,0|2,1,0]=4 18 B9R1.1 c1cc(ncc1CCl)Cl ACT01502 [1,0,0,0,0,0|2,1,0]=4 19 B9R1.1 c1cc(ncc1CO)Br ACT07897 [1,0,0,0,0,0|2,1,0]=4 20 B9R1.1 c1cc(ncc1CO)Cl ACT07560 [1,0,0,0,0,0|2,1,0]=4 21 B9R1.8 C=CCc1ccccc1 ACT11557 [1,0,0,0,0,0|1,0,1]=3 22 B9R1.8 CNCc1ccccc1 ACT05529 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.8 CSSc1ccccc1 ACT06218 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.8 c1cc(cnc1)CCN ACT01355 [1,0,0,0,0,0|1,0,0]=2 25 B9R1.8 c1ccc(cc1)CCBr ACT03430 [1,0,0,0,0,0|1,0,0]=2 26 B9R1.8 c1ccc(cc1)CCCl ACT03431 [1,0,0,0,0,0|1,0,0]=2 27 B9R1.8 c1ccc(cc1)CCS ACT06273 [1,0,0,0,0,0|1,0,0]=2 28 B9R1.8 c1ccnc(c1)CCBr ACT10142 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.8 c1cnccc1CCN ACT01588 [1,0,0,0,0,0|1,0,0]=2 30 B9R1.8 c1cnccc1CCO ACT09815 [1,0,0,0,0,0|2,0,0]=3 31 B11R1.20 CC(=O)Cc1ccc(cc1)Br ACT08474 [0,1,0,0,0,0|1,1,1]=4 32 B11R1.20 CC(=O)Nc1ccc(cc1)F ACT09591 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.20 c1cc(ccc1CC(=O)O)F ACT00993 [0,1,0,0,0,0|1,0,1]=3 34 B11R1.22 c1cc(ccc1C(=O)CBr)N ACT09355 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.22 c1cc(ccc1C(CO)O)Br ACT11166 [0,1,0,0,0,0|1,1,0]=3 36 B11R1.83 CCc1ccc(nc1)CCO ACT04241 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.83 COc1ccc(cc1)CC#N ACT07150 [0,1,0,0,0,0|1,0,2]=4 38 B11R2.34 c1cc(ccc1C2CO2)Br ACT09536 [0,0,0,1,0,0|1,1,0]=3 39 B11R2.36 Cc1ccc2c(c1)CCN2 ACT10010 [0,0,0,1,0,0|3,0,0]=4 40 B11R2.36 c1cc(cc2c1cc[nH]2)Br ACT02481 [0,0,0,1,0,0|0,1,2]=4 41 B11R2.36 c1cc(nc2c1CCC2)Cl ACT07572 [0,0,0,1,0,0|2,1,0]=4 42 B11R2.36 c1cc2c(cc1F)CNC2 ACT10050 [0,0,0,1,0,0|2,0,0]=3 43 B11R2.36 c1cc2c(cc1O)CNC2 ACT07176 [0,0,0,1,0,0|3,0,0]=4 44 B11R2.36 c1cc2cn[nH]c2cc1Br ACT06505 [0,0,0,1,0,0|1,1,1]=4 45 B8R1.2 C#Cc1ccccc1 ACT08960 [2,0,0,0,0,0|0,0,2]=4 46 B8R1.2 COc1ccccn1 ACT06584 [2,0,0,0,0,0|2,0,0]=4 47 B8R1.2 COc1ccncc1 ACT01615 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.2 c1ccc(cc1)CS ACT06261 [2,0,0,0,0,0|1,0,0]=3 49 B8R1.2 c1cnc(cn1)CN ACT11863 [2,0,0,0,0,0|2,0,0]=4 50 B8R1.2 c1cnccc1CO ACT05965 [2,0,0,0,0,0|2,0,0]=4 51 B8R1.3 Cc1ccc(cc1)Cl ACT03438 [2,0,0,0,0,0|0,1,0]=3 52 B8R1.3 Cc1ccc(cc1)I ACT13438 [2,0,0,0,0,0|0,1,0]=3 53 B8R1.3 Cc1ccc(cn1)N ACT04814 [2,0,0,0,0,0|2,0,0]=4 54 B8R1.3 Cc1ccc(cn1)N ACT04814 [2,0,0,0,0,0|2,0,0]=4 55 B8R1.3 Cc1ccc(cn1)O ACT05416 [2,0,0,0,0,0|2,0,0]=4 56 B8R1.3 Cc1ccc(nc1)O ACT03720 [2,0,0,0,0,0|2,0,0]=4 57 B8R1.3 c1cc(ccc1Br)Br ACT03271 [2,0,0,0,0,0|1,1,0]=4 58 B8R1.3 c1cc(ccc1Br)I ACT05996 [2,0,0,0,0,0|1,1,0]=4 59 B8R1.3 c1cc(ccc1Cl)Br ACT03424 [2,0,0,0,0,0|1,1,0]=4 60 B8R1.3 c1cc(ccc1F)Br ACT03427 [2,0,0,0,0,0|1,0,0]=3 61 B8R1.3 c1cc(ccc1F)I ACT00292 [2,0,0,0,0,0|1,0,0]=3 62 B8R1.3 c1cc(ccc1N)I ACT00167 [2,0,0,0,0,0|0,1,0]=3 63 B8R1.3 c1cc(ccc1O)I ACT05464 [2,0,0,0,0,0|1,1,0]=4 64 B8R1.3 c1cc(ncc1Br)F ACT01646 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.3 c1cc(ncc1Br)N ACT01339 [2,0,0,0,0,0|1,1,0]=4 66 B8R1.3 c1cc(ncc1Cl)N ACT01437 [2,0,0,0,0,0|1,1,0]=4 67 B8R1.3 c1cc(ncc1F)Cl ACT01499 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.3 c1cc(ncc1I)N ACT01433 [2,0,0,0,0,0|1,1,0]=4 69 B8R1.3 c1cc(ncc1N)Br ACT05519 [2,0,0,0,0,0|1,1,0]=4 70 B8R1.3 c1cc(ncc1N)Cl ACT05515 [2,0,0,0,0,0|1,1,0]=4 71 B8R1.3 c1cc(ncc1N)O ACT04951 [2,0,0,0,0,0|2,0,0]=4 72 B8R1.3 c1cc(ncc1O)F ACT01454 [2,0,0,0,0,0|2,0,0]=4 73 B8R1.3 c1cc(ncc1O)N ACT01298 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.3 CCc1ccc(cc1)NN ACT08278 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.3 c1cc(ccc1C#N)NN ACT07743 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.3 c1cc(ccc1CBr)C#N ACT01163 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.3 c1cc(ccc1CBr)CBr ACT10058 [1,1,0,0,0,0|1,1,0]=4 78 B10R1.3 c1cc(ccc1CN)CO ACT09568 [1,1,0,0,0,0|1,0,0]=3 79 B10R1.13 B(c1ccc(cc1)F)(O)O ACT10993 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.13 CC(=O)c1ccc(cc1)I ACT08155 [1,1,0,0,0,0|0,1,1]=4 81 B10R1.13 CC(=O)c1ccc(cc1)O ACT01160 [1,1,0,0,0,0|1,0,1]=4 82 B10R1.13 CN(C)c1ccc(cc1)Br ACT05793 [1,1,0,0,0,0|1,1,0]=4 83 B10R1.13 CN(C)c1ccc(cc1)N ACT05021 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.13 Cc1ccc(cc1)[C@@H](C)N ACT10821 [1,1,0,0,0,0|1,0,0]=3 85 B10R1.13 Cc1ccc(cc1)[C@H](C)N ACT10694 [1,1,0,0,0,0|1,0,0]=3 86 B10R1.13 Cc1ccc(cc1)[S@@](=O)N ACT09400 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.13 c1cc(ccc1C(=N)N)N ACT05196 [1,1,0,0,0,0|1,0,1]=4 88 B10R1.13 c1cc(ccc1C(=S)N)O ACT01253 [1,1,0,0,0,0|1,0,1]=4 89 B10R1.25 COc1ccc(cc1F)N ACT00950 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.25 Cc1cc(ccc1C=O)F ACT11866 [1,1,0,0,0,0|1,0,1]=4 91 B10R1.25 Cc1ccc(c(c1)C)NN ACT08448 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.25 Cc1ccc(c(c1)Cl)NN ACT08995 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.25 c1cc(c(cc1Cl)Cl)NN ACT08308 [1,1,0,0,0,0|1,1,0]=4 94 B10R1.25 c1cc(c(cc1F)Cl)NN ACT09483 [1,1,0,0,0,0|1,0,0]=3 95 B10R1.25 c1cc(c(cc1F)F)NN ACT00457 [1,1,0,0,0,0|1,0,0]=3 96 B10R1.25 c1cc(c(cc1F)N)C#N ACT11846 [1,1,0,0,0,0|0,0,2]=4 97 B10R1.25 c1cc(c(cc1F)O)C=O ACT03507 [1,1,0,0,0,0|1,0,1]=4 98 B10R1.176 COc1ccc(c(c1)N)Cl ACT00073 [1,1,0,0,0,0|1,1,0]=4 99 B10R1.176 COc1ccc(c(c1)N)Cl ACT07778 [1,1,0,0,0,0|1,1,0]=4 100 B10R1.176 Cc1cc(ccc1Br)OC ACT08088 [1,1,0,0,0,0|1,1,0]=4 101 B10R1.176 Cc1cc(ccc1F)C#N ACT00977 [1,1,0,0,0,0|0,0,2]=4 102 B10R1.176 Cc1cc(ccc1F)CN ACT00364 [1,1,0,0,0,0|0,0,0]=2 103 B10R1.176 Cc1ccc(cc1C)NN ACT02975 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.176 c1cc(c(cc1C#N)Br)F ACT11856 [1,1,0,0,0,0|0,0,2]=4 105 B10R1.176 c1cc(c(cc1CCl)Cl)Cl ACT00762 [1,1,0,0,0,0|1,1,0]=4 106 B10R1.176 c1cc(c(cc1NN)Cl)Cl ACT07443 [1,1,0,0,0,0|1,1,0]=4 107 B10R1.176 c1cc(c(cc1NN)Cl)F ACT07371 [1,1,0,0,0,0|1,0,0]=3 108 B10R1.176 c1cc(c(cc1NN)F)F ACT00750 [1,1,0,0,0,0|1,0,0]=3 109 B10R1.4 C=CCc1ccccc1O ACT04626 [1,1,0,0,0,0|1,0,1]=4 110 B10R1.4 CCNc1ccccc1C ACT11407 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.4 c1ccc(c(c1)CCBr)F ACT10293 [1,1,0,0,0,0|1,0,0]=3 112 B10R1.4 c1ccc(c(c1)CCO)O ACT04258 [1,1,0,0,0,0|1,0,0]=3 113 B10R1.10 CNCc1cccc(c1)Br ACT09067 [1,1,0,0,0,0|2,0,0]=4 114 B10R1.10 c1cc(cc(c1)Br)CCN ACT04669 [1,1,0,0,0,0|0,0,0]=2 115 B10R1.10 c1cc(cc(c1)F)CC#N ACT01184 [1,1,0,0,0,0|0,0,2]=4 116 B10R1.10 c1cc(cc(c1)F)CCN ACT05079 [1,1,0,0,0,0|0,0,0]=2 117 B10R1.10 c1cc(cc(c1)O)CCO ACT08257 [1,1,0,0,0,0|1,0,0]=3 118 B10R1.15 C#CC(c1ccccc1)O ACT09707 [1,1,0,0,0,0|1,0,1]=4 119 B10R1.15 c1ccc(cc1)[C@@H](CO)N ACT03157 [1,1,0,0,0,0|1,0,0]=3 120 B10R1.15 c1ccc(cc1)[C@H](CO)N ACT02360 [1,1,0,0,0,0|1,0,0]=3 121 B10R1.17 C=CCOc1ccccc1 ACT11556 [1,1,0,0,0,0|1,0,1]=4 122 B10R1.17 CCCCc1ccccn1 ACT09789 [1,1,0,0,0,0|2,0,0]=4 123 B10R1.17 CCCCc1cccnc1 ACT09823 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.17 CNCCc1ccccn1 ACT05580 [1,1,0,0,0,0|1,0,0]=3 125 B10R1.17 CNCCc1ccccn1 ACT05583 [1,1,0,0,0,0|1,0,0]=3 126 B10R1.17 CNCCc1ccncc1 ACT01599 [1,1,0,0,0,0|1,0,0]=3 127 B10R1.17 c1ccc(cc1)C#CCO ACT02992 [1,1,0,0,0,0|1,0,1]=4 128 B10R1.18 C[C@H](Cc1ccccc1)N ACT09042 [1,1,0,0,0,0|0,0,0]=2 129 B10R1.18 c1ccc(cc1)CC(=O)N ACT04844 [1,1,0,0,0,0|0,0,1]=3 130 B12R1.16 CCOC(=O)c1ccc(cc1)F ACT01143 [0,2,0,0,0,0|1,0,1]=4 131 B12R1.16 c1cc(ccc1[C@@H](CCO)N)F ACT09312 [0,2,0,0,0,0|1,0,0]=3 132 B12R1.21 c1cc(ccc1CCC(=O)O)O ACT03275 [0,2,0,0,0,0|2,0,0]=4 133 B12R1.49 COC(=O)Cc1ccc(cc1)F ACT09576 [0,2,0,0,0,0|1,0,1]=4 134 B12R1.49 c1cc(ccc1CC(=O)NN)F ACT09570 [0,2,0,0,0,0|0,0,1]=3 135 B12R1.49 c1cc(ccc1C[C@@H](CO)N)O ACT04173 [0,2,0,0,0,0|1,0,0]=3 136 B12R1.20 CC(C(=O)c1ccc(cc1)F)Br ACT04702 [0,2,0,0,0,0|1,0,1]=4 137 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)F ACT00058 [0,2,0,0,0,0|1,0,1]=4 138 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)F ACT00006 [0,2,0,0,0,0|1,0,1]=4 139 B12R1.367 c1cc(c(cc1[C@H](CN)O)O)O ACT11131 [0,2,0,0,0,0|1,0,0]=3 140 B12R1.113 c1cc(ccc1CCN)[N+](=O)[O-] ACT01046 [0,2,0,0,0,0|1,0,0]=3 141 B12R1.113 c1cc(ccc1CCN)[N+](=O)[O-] ACT04225 [0,2,0,0,0,0|1,0,0]=3 142 B10R2.7 c1cc2c(nc1)CCC2 ACT01400 [1,0,0,1,0,0|2,0,0]=4 143 B10R2.7 c1ccc2c(c1)[nH]cn2 ACT05819 [1,0,0,1,0,0|1,0,1]=4 144 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 ACT02582 [0,1,0,1,0,0|1,1,0]=4 145 B12R2.132 c1cc2c(cc1F)C(=O)CC2 ACT08311 [0,1,0,1,0,0|1,0,0]=3 146 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 ACT02488 [0,1,0,1,0,0|0,1,1]=4 147 B12R2.606 c1cc2c(cc1F)NC(=O)C2 ACT02554 [0,1,0,1,0,0|0,0,1]=3 148 B12R2.612 c1cc2c(cc1Br)OCC2N ACT10671 [0,1,0,1,0,0|1,1,0]=4 149 B12R2.612 c1cc2c(cc1F)CCC2=O ACT08254 [0,1,0,1,0,0|1,0,1]=4