0 B10R1.61 B(c1ccccc1Cl)(O)O ACT04751 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.61 B(c1ccccc1F)(O)O ACT02197 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.61 CC(=O)c1ccccc1Cl ACT06884 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.61 CC(=O)c1ccccc1F ACT10960 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.61 CC(=O)c1ccccc1N ACT05476 [0,0,0,0,0,0|0,0,0]=0 5 B10R1.61 CC(=O)c1ccccc1O ACT05307 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.61 CC(=O)c1cccnc1Cl ACT09849 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.61 CC(c1ccccc1O)N ACT10543 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.61 C[C@H](c1ccccc1O)N ACT07994 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.61 Cc1c(cccn1)C(=O)O ACT02414 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.61 Cc1ccccc1C(=O)C ACT07828 [0,0,0,0,0,0|1,0,0]=1 11 B10R1.61 Cc1cccnc1[N+](=O)[O-] ACT04445 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.61 Cc1ccncc1[N+](=O)[O-] ACT01361 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.61 Cc1cnccc1[N+](=O)[O-] ACT04433 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.61 c1cc(c(nc1)Br)C(=O)O ACT02431 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.61 c1cc(c(nc1)C(=O)O)Cl ACT01564 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.61 c1cc(c(nc1)C(=O)O)N ACT11742 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.61 c1cc(c(nc1)Cl)C(=O)O ACT11057 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.61 c1cc(c(nc1)F)C(=O)O ACT05346 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.61 c1cc(c(nc1)N)C(=O)O ACT02423 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.61 c1cc(c(nc1)O)C(=O)O ACT06968 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.61 c1cc(c(nc1)S)C(=O)O ACT06873 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.61 c1ccc(c(c1)C(=O)Cl)Br ACT05471 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.61 c1ccc(c(c1)C(=O)O)I ACT05424 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br ACT07602 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.61 c1cnc(c(n1)C(=O)O)N ACT01758 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.61 c1cncc(c1C(=O)O)Cl ACT08980 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.61 c1cncc(c1C(=O)O)F ACT11218 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.61 c1cncc(c1C(=O)O)N ACT04453 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.61 c1cncc(c1C(=O)O)N ACT11233 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.61 c1cncc(c1C(=O)O)O ACT01569 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.61 c1cncc(c1Cl)C(=O)O ACT02401 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.61 c1cncc(c1N)C(=O)O ACT02435 [0,0,0,0,0,0|2,0,0]=2 33 B10R1.61 c1cncc(c1O)C(=O)O ACT07024 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.61 c1cncc(c1O)[N+](=O)[O-] ACT07023 [0,0,0,0,0,0|4,0,0]=4 35 B9R1.6 B(c1ccccc1)(O)O ACT02221 [1,0,0,0,0,0|2,0,1]=4 36 B9R1.6 CC(=O)c1ccccn1 ACT06583 [1,0,0,0,0,0|1,0,0]=2 37 B9R1.6 CC(=O)c1cccnc1 ACT09581 [1,0,0,0,0,0|1,0,0]=2 38 B9R1.6 CC(=O)c1cnccn1 ACT06619 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.6 CC(=O)c1ncccn1 ACT09814 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.6 CN(C)c1ccncc1 ACT01613 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.6 C[C@@H](c1ccccn1)N ACT09467 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.6 C[C@H](c1ccccc1)N ACT09657 [1,0,0,0,0,0|1,0,1]=3 43 B9R1.6 c1cc(cnc1)C(=N)N ACT04510 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.6 c1cc(cnc1)C(=N)N ACT08665 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.6 c1cc(cnc1)C(=O)O ACT11784 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.6 c1cc(cnc1)C(=S)N ACT05846 [1,0,0,0,0,0|2,1,0]=4 47 B9R1.6 c1ccnc(c1)C(=O)N ACT05877 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.6 c1ccnc(c1)C(=O)O ACT11782 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.6 c1ccnc(c1)C(=S)N ACT05860 [1,0,0,0,0,0|2,1,0]=4 50 B9R1.6 c1cnc(cn1)C(=O)O ACT01760 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.6 c1cnccc1C(=N)N ACT08666 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.6 c1cnccc1C(=O)O ACT11785 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.6 c1cnccc1C(=S)N ACT05856 [1,0,0,0,0,0|2,1,0]=4 54 B9R1.15 C#Cc1ccccc1F ACT10250 [1,0,0,0,0,0|1,0,2]=4 55 B9R1.15 COc1c(cccn1)I ACT04432 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.15 COc1c(cccn1)N ACT07498 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.15 COc1ccc[nH]c1=O ACT09226 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.15 COc1ccccc1Br ACT04851 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.15 CSc1c(cccn1)Br ACT04436 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.15 Cc1ccccc1C#C ACT10245 [1,0,0,0,0,0|1,0,2]=4 61 B9R1.15 Cc1ccccc1NN ACT08523 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.15 c1cc(c(nc1)Cl)C=O ACT01478 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.15 c1cc(c(nc1)N)C=O ACT01307 [1,0,0,0,0,0|1,0,0]=2 64 B9R1.15 c1cc(c(nc1)N)CO ACT04341 [1,0,0,0,0,0|1,0,2]=4 65 B9R1.15 c1ccc(c(c1)C#N)Cl ACT08962 [1,0,0,0,0,0|2,0,1]=4 66 B9R1.15 c1ccc(c(c1)C#N)I ACT12520 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.15 c1ccc(c(c1)CBr)F ACT00245 [1,0,0,0,0,0|2,0,1]=4 68 B9R1.15 c1ccc(c(c1)CCl)I ACT05459 [1,0,0,0,0,0|2,0,1]=4 69 B9R1.15 c1ccc(c(c1)CN)N ACT09072 [1,0,0,0,0,0|1,0,1]=3 70 B9R1.15 c1ccc(c(c1)CO)I ACT05458 [1,0,0,0,0,0|1,0,2]=4 71 B9R1.15 c1ccc(c(c1)CO)N ACT09816 [1,0,0,0,0,0|0,0,2]=3 72 B9R1.15 c1ccc(c(c1)NN)Br ACT02736 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.15 c1ccc(c(c1)NN)Cl ACT12543 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.15 c1ccc(c(c1)NN)F ACT00607 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.15 c1cncc(c1C#N)N ACT04528 [1,0,0,0,0,0|2,0,1]=4 76 B9R1.15 c1cncc(c1C=O)Cl ACT11394 [1,0,0,0,0,0|2,0,0]=3 77 B11R1.53 CCc1ccccc1C(=O)O ACT08461 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.53 COc1ccccc1[N+](=O)[O-] ACT10571 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.53 COc1cnccc1C(=O)O ACT01562 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.53 c1ccc(c(c1)C(=O)O)NN ACT08237 [0,1,0,0,0,0|1,0,0]=2 81 B11R1.87 CC(C)(C)c1ccccc1N ACT05022 [0,1,0,0,0,0|1,0,1]=3 82 B11R1.87 Cc1ccccc1S(=O)(=O)N ACT05663 [0,1,0,0,0,0|3,0,0]=4 83 B11R1.87 Cc1ccccc1S(=O)(=O)N ACT05667 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.156 Cc1cccc(c1[N+](=O)[O-])Cl ACT04607 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.156 c1c(c(c(cn1)Cl)C(=O)O)Cl ACT11249 [0,1,0,0,0,0|3,0,0]=4 86 B11R1.156 c1c(c(c(cn1)F)C(=O)O)F ACT11246 [0,1,0,0,0,0|3,0,0]=4 87 B11R1.156 c1cc(c(c(c1)Br)[N+](=O)[O-])F ACT00337 [0,1,0,0,0,0|3,0,0]=4 88 B11R1.156 c1cnc(c(c1Cl)C(=O)O)Cl ACT11222 [0,1,0,0,0,0|3,0,0]=4 89 B11R1.156 c1cnc(c(c1I)C(=O)O)Cl ACT11247 [0,1,0,0,0,0|3,0,0]=4 90 B11R1.159 Cc1c(cccc1F)C(=O)O ACT11807 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.159 Cc1cccc(c1F)C(=O)O ACT11815 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.159 Cc1cccc(c1N)C(=O)O ACT12122 [0,1,0,0,0,0|1,0,0]=2 93 B11R1.159 Cc1cccc(c1N)[N+](=O)[O-] ACT05413 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O ACT04927 [0,1,0,0,0,0|1,0,0]=2 95 B11R1.159 c1cc(c(c(c1)F)Br)[N+](=O)[O-] ACT00699 [0,1,0,0,0,0|3,0,0]=4 96 B11R1.159 c1cc(c(c(c1)F)F)C(=O)O ACT11810 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O ACT00442 [0,1,0,0,0,0|1,0,0]=2 98 B11R1.159 c1cc(c(c(c1)N)F)C(=O)O ACT09442 [0,1,0,0,0,0|2,0,0]=3 99 B11R1.159 c1cnc(c(c1C(=O)O)Cl)Cl ACT11231 [0,1,0,0,0,0|3,0,0]=4 100 B11R1.159 c1cnc(c(c1C(=O)O)F)F ACT11232 [0,1,0,0,0,0|3,0,0]=4 101 B11R1.166 CC(=O)c1c[nH]c(=O)[nH]c1=O ACT01660 [0,1,0,0,0,0|3,0,0]=4 102 B11R1.166 CC(=O)c1ccc(cc1F)O ACT00564 [0,1,0,0,0,0|1,0,0]=2 103 B11R1.166 CC(C)c1ccc(cc1O)O ACT11045 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.166 C[C@H](c1ccc(cc1F)Br)N ACT10400 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.166 Cc1cc(c(cn1)C(=O)O)O ACT02411 [0,1,0,0,0,0|3,0,0]=4 106 B11R1.166 Cc1cc(cnc1C(=O)O)Br ACT11061 [0,1,0,0,0,0|3,0,0]=4 107 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O ACT11812 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.166 Cc1ccc(c(c1)F)[N+](=O)[O-] ACT13391 [0,1,0,0,0,0|3,0,0]=4 109 B11R1.166 Cc1ccc(c(n1)N)[N+](=O)[O-] ACT08276 [0,1,0,0,0,0|3,0,0]=4 110 B11R1.166 c1cc(c(cc1Br)F)C(=O)O ACT11804 [0,1,0,0,0,0|2,0,0]=3 111 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O ACT12172 [0,1,0,0,0,0|2,0,0]=3 112 B11R1.166 c1cc(c(cc1F)Br)[N+](=O)[O-] ACT00711 [0,1,0,0,0,0|3,0,0]=4 113 B11R1.166 c1cc(c(cc1F)N)C(=O)O ACT04887 [0,1,0,0,0,0|1,0,0]=2 114 B11R1.166 c1cc(c(cc1I)F)C(=O)O ACT11822 [0,1,0,0,0,0|2,0,0]=3 115 B11R1.166 c1cc(nc(c1C(=O)O)Br)Br ACT11215 [0,1,0,0,0,0|3,0,0]=4 116 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl ACT02420 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.167 CC(=O)c1cc(ccc1O)Br ACT06775 [0,1,0,0,0,0|1,0,0]=2 118 B11R1.167 CC(=O)c1cc(ccc1O)F ACT08250 [0,1,0,0,0,0|1,0,0]=2 119 B11R1.167 CC(=O)c1cc(cnc1F)Br ACT07318 [0,1,0,0,0,0|2,0,0]=3 120 B11R1.167 Cc1ccc(c(c1)C(=O)O)Br ACT11818 [0,1,0,0,0,0|2,0,0]=3 121 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])F ACT13393 [0,1,0,0,0,0|3,0,0]=4 122 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])O ACT07487 [0,1,0,0,0,0|3,0,0]=4 123 B11R1.167 c1c(c(cnc1Cl)Cl)C(=O)O ACT05336 [0,1,0,0,0,0|3,0,0]=4 124 B11R1.167 c1c(cnc(c1C(=O)N)Cl)Cl ACT11750 [0,1,0,0,0,0|3,0,0]=4 125 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Br ACT04481 [0,1,0,0,0,0|3,0,0]=4 126 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Cl ACT02418 [0,1,0,0,0,0|3,0,0]=4 127 B11R1.167 c1c(cnc(c1C(=O)O)O)Br ACT04508 [0,1,0,0,0,0|3,0,0]=4 128 B11R1.167 c1c(cnc(c1C(=O)O)O)Cl ACT04472 [0,1,0,0,0,0|3,0,0]=4 129 B11R1.167 c1cc(c(cc1Br)C(=O)O)I ACT12149 [0,1,0,0,0,0|2,0,0]=3 130 B11R1.167 c1cc(c(cc1Br)[N+](=O)[O-])F ACT00335 [0,1,0,0,0,0|3,0,0]=4 131 B11R1.167 c1cc(c(cc1Br)[N+](=O)[O-])N ACT00158 [0,1,0,0,0,0|2,0,0]=3 132 B11R1.167 c1cc(c(cc1Cl)[N+](=O)[O-])O ACT04605 [0,1,0,0,0,0|3,0,0]=4 133 B11R1.167 c1cc(c(cc1F)C(=O)O)Br ACT11942 [0,1,0,0,0,0|2,0,0]=3 134 B11R1.167 c1cc(c(cc1F)C(=O)O)O ACT01103 [0,1,0,0,0,0|2,0,0]=3 135 B11R1.167 c1cc(c(cc1F)[N+](=O)[O-])Br ACT07607 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.167 c1cc(c(cc1I)C(=O)O)Cl ACT07777 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.167 c1cc(c(cc1I)C(=O)O)F ACT12020 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.167 c1cc(c(cc1I)C(=O)O)N ACT00517 [0,1,0,0,0,0|1,0,0]=2 139 B11R1.167 c1cc(c(cc1O)C(=O)O)F ACT11811 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.167 c1cc(c(cc1O)[N+](=O)[O-])N ACT07484 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.222 CCC(=O)c1ccccc1Cl ACT09952 [0,1,0,0,0,0|1,0,0]=2 142 B11R1.222 COC(=O)c1c(nccn1)N ACT01741 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.222 COC(=O)c1ccccc1I ACT05425 [0,1,0,0,0,0|1,0,0]=2 144 B11R1.222 COC(=O)c1cccnc1N ACT04509 [0,1,0,0,0,0|1,0,0]=2 145 B11R1.222 COC(=O)c1ccncc1I ACT11933 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.222 COC(=O)c1ccncc1N ACT02409 [0,1,0,0,0,0|1,0,0]=2 147 B11R1.222 COC(=O)c1ccncc1O ACT11741 [0,1,0,0,0,0|2,0,0]=3 148 B11R1.222 COC(=O)c1cnccc1O ACT06909 [0,1,0,0,0,0|2,0,0]=3 149 B11R1.222 Cc1ccncc1C(=O)OC ACT03786 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.222 c1ccc(c(c1)C(=O)CBr)Cl ACT00383 [0,1,0,0,0,0|1,0,0]=2 151 B11R2.1 c1cc2c(c[nH]c2nc1)Br ACT06503 [0,0,0,1,0,0|2,0,1]=4 152 B11R2.1 c1cc2c(nc1)COC2=O ACT04440 [0,0,0,1,0,0|3,0,0]=4 153 B11R2.1 c1ccn2c(c1)n[nH]c2=O ACT03755 [0,0,0,1,0,0|2,0,1]=4 154 B9R1.41 Cc1cc[nH]c1C(=O)O ACT10555 [0,0,0,0,1,0|3,0,0]=4 155 B9R1.41 c1[nH]c(c(n1)C(=O)N)N ACT02020 [0,0,0,0,1,0|3,0,0]=4 156 B11R1.86 Cc1cccnc1NC(=O)C ACT11134 [0,0,0,0,0,1|2,0,0]=3 157 B11R1.86 c1cc(c(nc1)Cl)CC(=O)O ACT09906 [0,0,0,0,0,1|3,0,0]=4 158 B8R1.2 C#Cc1ccccc1 ACT08960 [2,0,0,0,0,0|0,0,2]=4 159 B8R1.2 COc1ccccn1 ACT06584 [2,0,0,0,0,0|2,0,0]=4 160 B8R1.2 COc1ccncc1 ACT01615 [2,0,0,0,0,0|2,0,0]=4 161 B8R1.2 c1cc(cnc1)C=O ACT04700 [2,0,0,0,0,0|1,0,0]=3 162 B8R1.2 c1ccc(cc1)CS ACT06261 [2,0,0,0,0,0|0,1,1]=4 163 B8R1.2 c1ccnc(c1)C=O ACT07081 [2,0,0,0,0,0|1,0,0]=3 164 B8R1.2 c1cnccc1C=O ACT05935 [2,0,0,0,0,0|1,0,0]=3 165 B8R1.5 Cc1c(cccn1)N ACT01459 [2,0,0,0,0,0|1,0,0]=3 166 B8R1.5 Cc1c(cccn1)N ACT01459 [2,0,0,0,0,0|1,0,0]=3 167 B8R1.5 Cc1c(cccn1)O ACT01461 [2,0,0,0,0,0|2,0,0]=4 168 B8R1.5 Cc1ccc[nH]c1=O ACT01511 [2,0,0,0,0,0|2,0,0]=4 169 B8R1.5 Cc1ccccc1I ACT05468 [2,0,0,0,0,0|1,0,0]=3 170 B8R1.5 Cc1cccnc1Br ACT06975 [2,0,0,0,0,0|2,0,0]=4 171 B8R1.5 Cc1cccnc1N ACT04697 [2,0,0,0,0,0|1,0,0]=3 172 B8R1.5 Cc1ccncc1N ACT01358 [2,0,0,0,0,0|1,0,0]=3 173 B8R1.5 Cc1cnccc1N ACT01603 [2,0,0,0,0,0|1,0,0]=3 174 B8R1.5 c1cc(c(=O)[nH]c1)Br ACT07182 [2,0,0,0,0,0|2,0,0]=4 175 B8R1.5 c1cc(c(nc1)Br)N ACT03644 [2,0,0,0,0,0|2,0,0]=4 176 B8R1.5 c1cc(c(nc1)N)I ACT11375 [2,0,0,0,0,0|2,0,0]=4 177 B8R1.5 c1cc(c(nc1)N)N ACT01388 [2,0,0,0,0,0|2,0,0]=4 178 B8R1.5 c1cc(c(nc1)O)N ACT01552 [2,0,0,0,0,0|1,0,1]=4 179 B8R1.5 c1ccc(c(c1)Br)Br ACT07584 [2,0,0,0,0,0|2,0,0]=4 180 B8R1.5 c1ccc(c(c1)Br)I ACT05474 [2,0,0,0,0,0|2,0,0]=4 181 B8R1.5 c1ccc(c(c1)Cl)Br ACT03421 [2,0,0,0,0,0|2,0,0]=4 182 B8R1.5 c1ccc(c(c1)N)Br ACT07744 [2,0,0,0,0,0|1,0,0]=3 183 B8R1.5 c1ccc(c(c1)N)I ACT07811 [2,0,0,0,0,0|1,0,0]=3 184 B8R1.5 c1ccc(c(c1)O)I ACT05465 [2,0,0,0,0,0|1,0,1]=4 185 B8R1.5 c1ccc(c(c1)S)S ACT11907 [2,0,0,0,0,0|1,1,0]=4 186 B8R1.5 c1cncc(c1N)Br ACT01578 [2,0,0,0,0,0|2,0,0]=4 187 B10R1.13 CC(=O)c1ccc(cc1)I ACT08155 [1,1,0,0,0,0|0,0,0]=2 188 B10R1.13 CC(=O)c1ccc(cc1)O ACT01160 [1,1,0,0,0,0|0,0,0]=2 189 B10R1.13 CC(=O)c1ccc(nc1)Br ACT01536 [1,1,0,0,0,0|1,0,0]=3 190 B10R1.13 CN(C)c1ccc(cc1)Br ACT05793 [1,1,0,0,0,0|2,0,0]=4 191 B10R1.13 CN(C)c1ccc(cc1)N ACT05021 [1,1,0,0,0,0|2,0,0]=4 192 B10R1.13 Cc1ccc(cc1)[C@@H](C)N ACT10821 [1,1,0,0,0,0|1,0,1]=4 193 B10R1.13 Cc1ccc(cc1)[C@H](C)N ACT10694 [1,1,0,0,0,0|1,0,1]=4 194 B10R1.13 Cc1ccc(cc1)[S@@](=O)N ACT09400 [1,1,0,0,0,0|2,0,0]=4 195 B10R1.13 Cc1ccc(cn1)C(=O)O ACT02455 [1,1,0,0,0,0|2,0,0]=4 196 B10R1.13 c1cc(ccc1C(=N)N)N ACT05196 [1,1,0,0,0,0|2,0,0]=4 197 B10R1.13 c1cc(ccc1C(=O)Cl)I ACT03270 [1,1,0,0,0,0|1,0,0]=3 198 B10R1.13 c1cc(ccc1C(=O)O)I ACT00967 [1,1,0,0,0,0|1,0,0]=3 199 B10R1.13 c1cc(ccc1C(=S)N)O ACT01253 [1,1,0,0,0,0|1,1,0]=4 200 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br ACT01181 [1,1,0,0,0,0|2,0,0]=4 201 B10R1.13 c1cc(ncc1Br)C(=O)O ACT11224 [1,1,0,0,0,0|2,0,0]=4 202 B10R1.13 c1cc(ncc1C(=O)Cl)Cl ACT05260 [1,1,0,0,0,0|2,0,0]=4 203 B10R1.13 c1cc(ncc1C(=O)N)Cl ACT10677 [1,1,0,0,0,0|2,0,0]=4 204 B10R1.13 c1cc(ncc1C(=O)O)Cl ACT02407 [1,1,0,0,0,0|2,0,0]=4 205 B10R1.13 c1cc(ncc1C(=O)O)F ACT02405 [1,1,0,0,0,0|2,0,0]=4 206 B10R1.13 c1cc(ncc1C(=O)O)N ACT02453 [1,1,0,0,0,0|2,0,0]=4 207 B10R1.13 c1cc(ncc1C(=O)O)O ACT04597 [1,1,0,0,0,0|2,0,0]=4 208 B10R1.13 c1cc(ncc1Cl)C(=O)O ACT11221 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.13 c1cc(ncc1F)C(=O)O ACT11242 [1,1,0,0,0,0|2,0,0]=4 210 B10R1.15 COC(=O)c1ccccn1 ACT11786 [1,1,0,0,0,0|1,0,0]=3 211 B10R1.15 COC(=O)c1cccnc1 ACT11790 [1,1,0,0,0,0|1,0,0]=3 212 B10R1.15 COC(=O)c1ccncc1 ACT11792 [1,1,0,0,0,0|1,0,0]=3 213 B10R1.15 c1ccc(cc1)[C@@H](CO)N ACT03157 [1,1,0,0,0,0|1,0,1]=4 214 B10R1.15 c1ccc(cc1)[C@H](CO)N ACT02360 [1,1,0,0,0,0|1,0,1]=4 215 B10R1.15 c1ccc(cc1)\C(=N\O)\N ACT05094 [1,1,0,0,0,0|1,0,1]=4 216 B10R1.28 c1ccc(cc1)P(=O)(Cl)Cl ACT08905 [1,1,0,0,0,0|2,0,0]=4 217 B10R1.28 c1ccc(cc1)S(=O)(=O)Cl ACT05673 [1,1,0,0,0,0|2,0,0]=4 218 B10R1.28 c1ccc(cc1)S(=O)(=O)N ACT05670 [1,1,0,0,0,0|2,0,0]=4 219 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] ACT10371 [1,1,0,0,0,0|2,0,0]=4 220 B10R1.113 CC(=O)c1cc(cnc1)Br ACT09658 [1,1,0,0,0,0|1,0,0]=3 221 B10R1.113 CC(=O)c1cccc(c1)F ACT04233 [1,1,0,0,0,0|0,0,0]=2 222 B10R1.113 CC(=O)c1cccc(n1)Br ACT09764 [1,1,0,0,0,0|1,0,0]=3 223 B10R1.113 Cc1cccc(n1)C(=O)O ACT04484 [1,1,0,0,0,0|2,0,0]=4 224 B10R1.113 Cc1ccnc(c1)C(=O)C ACT09887 [1,1,0,0,0,0|1,0,0]=3 225 B10R1.113 c1c(cncc1Br)C(=O)O ACT02450 [1,1,0,0,0,0|2,0,0]=4 226 B10R1.113 c1c(cncc1Cl)C(=O)O ACT02444 [1,1,0,0,0,0|2,0,0]=4 227 B10R1.113 c1c(cncc1N)C(=O)O ACT02440 [1,1,0,0,0,0|2,0,0]=4 228 B10R1.113 c1c(cncc1O)C(=O)O ACT02416 [1,1,0,0,0,0|2,0,0]=4 229 B10R1.113 c1c[nH]c(=O)cc1C(=O)O ACT06893 [1,1,0,0,0,0|2,0,0]=4 230 B10R1.113 c1cc(cc(c1)Br)[N+](=O)[O-] ACT03425 [1,1,0,0,0,0|2,0,0]=4 231 B10R1.113 c1cc(cc(c1)I)C(=O)O ACT00798 [1,1,0,0,0,0|1,0,0]=3 232 B10R1.113 c1cc(cc(c1)I)[N+](=O)[O-] ACT07619 [1,1,0,0,0,0|2,0,0]=4 233 B10R1.113 c1cc(cc(c1)O)C(=O)O ACT11902 [1,1,0,0,0,0|1,0,0]=3 234 B10R1.113 c1cc(nc(c1)Br)C(=O)O ACT01377 [1,1,0,0,0,0|2,0,0]=4 235 B10R1.113 c1cc(nc(c1)Cl)C(=O)O ACT04538 [1,1,0,0,0,0|2,0,0]=4 236 B10R1.113 c1cnc(cc1C(=O)N)N ACT06896 [1,1,0,0,0,0|2,0,0]=4 237 B10R1.113 c1cnc(cc1C(=O)O)Br ACT05488 [1,1,0,0,0,0|2,0,0]=4 238 B10R1.113 c1cnc(cc1C(=O)O)Cl ACT02429 [1,1,0,0,0,0|2,0,0]=4 239 B10R1.113 c1cnc(cc1C(=O)O)N ACT05487 [1,1,0,0,0,0|2,0,0]=4 240 B10R1.113 c1cnc(cc1Cl)C(=O)O ACT04485 [1,1,0,0,0,0|2,0,0]=4 241 B10R1.2 Cc1cccc(c1C)C=O ACT11850 [1,1,0,0,0,0|1,0,0]=3 242 B10R1.2 Cc1cccc(c1O)C=O ACT02943 [1,1,0,0,0,0|1,0,0]=3 243 B10R1.2 c1cc(c(c(c1)Br)O)C=O ACT03518 [1,1,0,0,0,0|1,0,0]=3 244 B10R1.2 c1cc(c(c(c1)Cl)O)C=O ACT04631 [1,1,0,0,0,0|1,0,0]=3 245 B10R1.2 c1cc(c(c(c1)F)O)C=O ACT05904 [1,1,0,0,0,0|1,0,0]=3 246 B10R1.2 c1cc(c(c(c1)O)Br)C=O ACT05003 [1,1,0,0,0,0|1,0,0]=3 247 B10R1.4 C=CCc1ccccc1O ACT04626 [1,1,0,0,0,0|1,0,1]=4 248 B10R1.4 CCNc1ccccc1C ACT11407 [1,1,0,0,0,0|1,0,1]=4 249 B10R1.4 c1ccc(c(c1)CCBr)F ACT10293 [1,1,0,0,0,0|1,0,1]=4 250 B10R1.4 c1ccc(c(c1)CCO)O ACT04258 [1,1,0,0,0,0|1,0,1]=4 251 B10R1.20 CCc1ccccc1NN ACT06865 [1,1,0,0,0,0|0,0,1]=3 252 B10R1.20 COc1ccccc1NN ACT12535 [1,1,0,0,0,0|1,0,0]=3 253 B10R1.25 COc1ccc(cc1F)N ACT00950 [1,1,0,0,0,0|2,0,0]=4 254 B10R1.25 Cc1cc(ccc1C=O)Cl ACT09676 [1,1,0,0,0,0|1,0,0]=3 255 B10R1.25 Cc1cc(ccc1C=O)F ACT11866 [1,1,0,0,0,0|1,0,0]=3 256 B10R1.25 c1cc(c(cc1Br)N)C#N ACT11859 [1,1,0,0,0,0|1,0,1]=4 257 B10R1.25 c1cc(c(cc1Br)O)C=O ACT00222 [1,1,0,0,0,0|1,0,0]=3 258 B10R1.25 c1cc(c(cc1Cl)F)C=O ACT00558 [1,1,0,0,0,0|1,0,0]=3 259 B10R1.25 c1cc(c(cc1Cl)O)C=O ACT03495 [1,1,0,0,0,0|1,0,0]=3 260 B10R1.25 c1cc(c(cc1F)N)C#N ACT11846 [1,1,0,0,0,0|1,0,1]=4 261 B10R1.25 c1cc(c(cc1F)O)C=O ACT03507 [1,1,0,0,0,0|1,0,0]=3 262 B10R1.25 c1cc(c(cc1O)Cl)C=O ACT03441 [1,1,0,0,0,0|1,0,0]=3 263 B10R1.30 COc1cc(ccc1Br)O ACT11735 [1,1,0,0,0,0|2,0,0]=4 264 B10R1.30 COc1cc(ccc1N)Br ACT00157 [1,1,0,0,0,0|1,0,0]=3 265 B10R1.30 c1cc(c(cc1Br)C=O)O ACT04602 [1,1,0,0,0,0|1,0,0]=3 266 B10R1.30 c1cc(c(cc1Cl)C=O)Br ACT12015 [1,1,0,0,0,0|1,0,0]=3 267 B10R1.30 c1cc(c(cc1Cl)C=O)O ACT03087 [1,1,0,0,0,0|1,0,0]=3 268 B10R1.30 c1cc(c(cc1F)C=O)O ACT03079 [1,1,0,0,0,0|1,0,0]=3 269 B10R1.245 c1cc(c(c(c1)F)C#N)N ACT11801 [1,1,0,0,0,0|1,0,1]=4 270 B10R1.245 c1cnc(c(c1Cl)C=O)Cl ACT11372 [1,1,0,0,0,0|2,0,0]=4 271 B10R1.59 Cc1cc(c(o1)C)C(=O)C ACT06514 [0,1,0,0,1,0|2,0,0]=4 272 B12R1.75 c1ccc(c(c1)CC(=O)O)C#N ACT11972 [0,1,0,0,0,1|1,0,1]=4 273 B12R1.124 CC(c1ccccc1Cl)C(=O)O ACT11934 [0,1,0,0,0,1|2,0,0]=4 274 B12R1.124 c1ccc(c(c1)[C@@H](C(=O)O)N)Cl ACT02389 [0,1,0,0,0,1|2,0,0]=4 275 B12R1.124 c1ccc(c(c1)[C@H](C(=O)O)N)Cl ACT10458 [0,1,0,0,0,1|2,0,0]=4 276 B12R1.261 CC(=O)c1ccccc1[N+](=O)[O-] ACT00694 [0,2,0,0,0,0|0,0,1]=3 277 B12R1.261 c1ccc(c(c1)C(=O)O)C(=O)O ACT04959 [0,2,0,0,0,0|2,0,0]=4 278 B12R1.261 c1ccc(c(c1)C(=O)O)[N+](=O)[O-] ACT11918 [0,2,0,0,0,0|1,0,1]=4 279 B12R1.283 CCOc1ccccc1C(=O)N ACT09023 [0,2,0,0,0,0|2,0,0]=4 280 B12R1.437 CC(=O)c1c(cccc1OC)O ACT00341 [0,2,0,0,0,0|1,0,0]=3 281 B12R1.1000 c1c(cc(c(c1F)C(=O)O)F)Br ACT00285 [0,2,0,0,0,0|2,0,0]=4 282 B12R1.3441 COC(=O)c1c(ccnc1Cl)Cl ACT11248 [0,2,0,0,0,0|2,0,0]=4 283 B12R1.3441 COC(=O)c1c(ccnc1Cl)I ACT11252 [0,2,0,0,0,0|2,0,0]=4 284 B12R1.24 COC(=O)c1cccc(c1F)N ACT04593 [0,2,0,0,0,0|1,0,0]=3 285 B12R1.24 COC(=O)c1cccc(c1N)Cl ACT00273 [0,2,0,0,0,0|0,0,0]=2 286 B12R1.511 Cc1cc(c(c(c1)Br)N)C(=O)O ACT04615 [0,2,0,0,0,0|1,0,0]=3 287 B12R1.511 c1c(cc(c(c1C(=O)O)I)I)I ACT05475 [0,2,0,0,0,0|2,0,0]=4 288 B12R1.511 c1c(cc(c(c1C(=O)O)N)Br)Br ACT04611 [0,2,0,0,0,0|1,0,0]=3 289 B12R1.511 c1c(cc(c(c1[N+](=O)[O-])N)Br)F ACT03707 [0,2,0,0,0,0|2,0,0]=4 290 B12R1.511 c1c(cc(c(c1[N+](=O)[O-])N)F)Br ACT04617 [0,2,0,0,0,0|2,0,0]=4 291 B12R1.893 Cc1ccc(c(c1C)N)C(=O)O ACT11901 [0,2,0,0,0,0|1,0,0]=3 292 B12R1.232 Cc1cc(c(cc1Br)F)C(=O)O ACT11808 [0,2,0,0,0,0|2,0,0]=4 293 B12R1.232 c1c(c(cc(c1F)F)N)C(=O)O ACT09869 [0,2,0,0,0,0|1,0,0]=3 294 B12R1.452 CC(=O)c1ccc(cc1F)OC ACT12896 [0,2,0,0,0,0|1,0,0]=3 295 B12R1.452 COc1ccc(c(c1)N)C(=O)O ACT00513 [0,2,0,0,0,0|1,0,0]=3 296 B12R1.1703 COC(=O)c1ccc(nc1Cl)Cl ACT11257 [0,2,0,0,0,0|2,0,0]=4 297 B12R1.1703 COC(=O)c1cnc(cc1Cl)Cl ACT04491 [0,2,0,0,0,0|2,0,0]=4 298 B12R1.1703 Cc1cc(ccc1C(=O)OC)Br ACT00613 [0,2,0,0,0,0|1,0,0]=3 299 B12R1.1703 Cc1cc(cnc1C(=O)OC)Br ACT09233 [0,2,0,0,0,0|2,0,0]=4 300 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CCl ACT11923 [0,2,0,0,0,0|1,0,0]=3 301 B12R1.354 COC(=O)c1cc(cnc1Cl)Br ACT02446 [0,2,0,0,0,0|2,0,0]=4 302 B12R1.453 CC(=O)c1cc(ccc1O)OC ACT07803 [0,2,0,0,0,0|1,0,0]=3 303 B12R1.453 COc1ccc(c(c1)C(=O)O)N ACT00261 [0,2,0,0,0,0|1,0,0]=3 304 B12R1.308 CCOC(=O)c1ccccc1Br ACT11894 [0,2,0,0,0,0|1,0,0]=3 305 B12R1.308 CCOC(=O)c1cccnc1Cl ACT02428 [0,2,0,0,0,0|2,0,0]=4 306 B12R1.308 CCOC(=O)c1cccnc1N ACT04504 [0,2,0,0,0,0|1,0,0]=3 307 B12R1.308 CCOC(=O)c1ccncc1N ACT04454 [0,2,0,0,0,0|1,0,0]=3 308 B10R2.7 c1c[nH]c2c1ccnc2 ACT02479 [1,0,0,1,0,0|1,0,1]=4 309 B10R2.7 c1c[nH]c2c1cncc2 ACT02480 [1,0,0,1,0,0|1,0,1]=4 310 B10R2.7 c1cc2c(cc[nH]2)nc1 ACT02486 [1,0,0,1,0,0|1,0,1]=4 311 B10R2.7 c1cc2cc[nH]c2nc1 ACT02468 [1,0,0,1,0,0|1,0,1]=4 312 B10R2.7 c1ccc2c(c1)[nH]cn2 ACT05819 [1,0,0,1,0,0|1,0,1]=4 313 B12R2.24 Cc1nc2ccccc2nn1 ACT09151 [0,0,0,1,0,1|1,0,1]=4 314 B12R2.202 CC1=Cc2c(cccc2Br)C1 ACT04566 [0,0,0,1,0,1|2,0,0]=4 315 B12R2.202 CC1=Cc2cccc(c2C1)Br ACT04571 [0,0,0,1,0,1|2,0,0]=4 316 B12R2.202 c1cc2c(c(c1)Br)CC(=O)N2 ACT06658 [0,0,0,1,0,1|2,0,0]=4 317 B12R2.202 c1cc2c(c(c1)Br)NC(=O)C2 ACT06670 [0,0,0,1,0,1|1,0,0]=3 318 B12R2.202 c1cc2c(c(c1)Cl)NC(=O)C2 ACT06669 [0,0,0,1,0,1|1,0,0]=3 319 B12R2.202 c1cc2c(c(c1)F)NC(=O)C2 ACT02565 [0,0,0,1,0,1|1,0,0]=3 320 B12R2.1081 c1cc2c(nc1)C(=O)CCC2 ACT09162 [0,1,0,1,0,0|2,0,0]=4 321 B12R2.2028 c1ccc2c(c1)C(=O)OI2O ACT08156 [0,1,0,1,0,0|2,0,0]=4 322 B12R2.2028 c1ccc2c(c1)C(=O)[N-]C2=O ACT12043 [0,1,0,1,0,0|2,0,0]=4 323 B12R2.203 c1cc2c(c(c1)Br)C(=O)CC2 ACT08016 [0,1,0,1,0,0|1,0,0]=3 324 B12R2.203 c1cc2c(c(c1)F)C(=O)CC2 ACT03106 [0,1,0,1,0,0|1,0,0]=3 325 B12R2.196 Cc1c[nH]c2c1cccc2Br ACT10434 [0,1,0,1,0,0|1,0,0]=3 326 B12R2.196 c1cc2c(c(c1)Br)CCC2=O ACT02584 [0,1,0,1,0,0|1,0,0]=3 327 B12R2.196 c1cc2c(c(c1)Br)CNC2=O ACT09557 [0,1,0,1,0,0|2,0,0]=4 328 B12R2.196 c1cc2c(c(c1)Br)COC2=O ACT05320 [0,1,0,1,0,0|2,0,0]=4 329 B12R2.196 c1cc2c(c(c1)F)CCC2=O ACT10896 [0,1,0,1,0,0|1,0,0]=3 330 B12R2.196 c1cc2c(c(c1)O)CCC2=O ACT10816 [0,1,0,1,0,0|1,0,0]=3 331 B12R2.612 c1cc2c(cc1Br)CCC2=O ACT02586 [0,1,0,1,0,0|1,0,0]=3 332 B12R2.612 c1cc2c(cc1Cl)CCC2=O ACT02585 [0,1,0,1,0,0|1,0,0]=3 333 B12R2.612 c1cc2c(cc1Cl)COC2=O ACT09470 [0,1,0,1,0,0|2,0,0]=4 334 B12R2.612 c1cc2c(cc1F)CCC2=O ACT08254 [0,1,0,1,0,0|1,0,0]=3 335 B12R2.132 Cc1c2cc(cnc2[nH]n1)Br ACT10509 [0,1,0,1,0,0|2,0,0]=4 336 B12R2.132 Cc1c[nH]c2c1cc(cc2)F ACT02529 [0,1,0,1,0,0|1,0,0]=3 337 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 ACT02582 [0,1,0,1,0,0|1,0,0]=3 338 B12R2.132 c1cc2c(cc1Cl)c(n[nH]2)I ACT09587 [0,1,0,1,0,0|2,0,0]=4 339 B12R2.132 c1cc2c(cc1F)C(=O)CC2 ACT08311 [0,1,0,1,0,0|1,0,0]=3 340 B12R2.1 c1ccc2c(c1)c(no2)CO ACT09157 [0,1,0,1,0,0|2,0,0]=4 341 B12R2.18 c1ccc2c(c1)CC(C2=O)Br ACT04557 [0,1,0,1,0,0|1,0,0]=3 342 B8R1.7 CC(=O)c1c[nH]nc1 ACT09404 [1,0,0,0,1,0|2,0,0]=4 343 B8R1.7 CC(=O)c1ccc[nH]1 ACT06589 [1,0,0,0,1,0|1,0,0]=3 344 B8R1.7 CC(=O)c1ccco1 ACT06495 [1,0,0,0,1,0|1,0,0]=3 345 B8R1.7 CC(=O)c1cccs1 ACT06591 [1,0,0,0,1,0|1,0,0]=3 346 B8R1.7 CC(=O)n1ccnc1 ACT07679 [1,0,0,0,1,0|2,0,0]=4 347 B8R1.7 c1c[nH]cc1C(=O)O ACT03128 [1,0,0,0,1,0|2,0,0]=4 348 B12R1.125 c1ccc(c(c1)NCC(=O)O)F ACT09813 [0,0,0,0,0,2|2,0,0]=4