0 B10R1.13 B(c1ccc(cc1)C)(O)O ACT05291 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.13 B(c1ccc(nc1)Br)(O)O ACT05284 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.13 B(c1ccc(nc1)Cl)(O)O ACT05310 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.13 B(c1ccc(nc1)F)(O)O ACT01457 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.13 CC(=O)c1ccc(cc1)I ACT08155 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.13 CC(=O)c1ccc(cc1)O ACT01160 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.13 CC(=O)c1ccc(nc1)Br ACT01536 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.13 CC(C)c1ccc(nn1)Cl ACT09871 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.13 CN(C)c1ccc(cc1)Br ACT05793 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.13 CN(C)c1ccc(cc1)N ACT05021 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.13 Cc1ccc(cc1)[C@@H](C)N ACT10821 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.13 Cc1ccc(cc1)[C@H](C)N ACT10694 [0,0,0,0,0,0|2,0,1]=3 12 B10R1.13 Cc1ccc(cc1)[S@@](=O)N ACT09400 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.13 Cc1ccc(cn1)C(=O)O ACT02455 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] ACT11356 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.13 Cc1cnc(cn1)C(=O)O ACT11104 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.13 Cc1ncc(cn1)C(=O)O ACT03826 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.13 c1c(ncc(n1)Cl)C(=O)O ACT01751 [0,0,0,0,0,0|4,0,0]=4 18 B10R1.13 c1c(ncc(n1)O)C(=O)O ACT01744 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.13 c1cc(ccc1C(=N)N)N ACT05196 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.13 c1cc(ccc1C(=O)Cl)I ACT03270 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.13 c1cc(ccc1C(=O)O)I ACT00967 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.13 c1cc(ccc1C(=S)N)O ACT01253 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.13 c1cc(ncc1C(=O)Cl)Cl ACT05260 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.13 c1cc(ncc1C(=O)N)Cl ACT10677 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.13 c1cc(ncc1C(=O)O)Cl ACT02407 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.13 c1cc(ncc1C(=O)O)F ACT02405 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.13 c1cc(ncc1C(=O)O)N ACT02453 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.13 c1cc(ncc1C(=O)O)O ACT04597 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.13 c1cc(ncc1[N+](=O)[O-])Br ACT01535 [0,0,0,0,0,0|4,0,0]=4 30 B10R1.13 c1cc(ncc1[N+](=O)[O-])Cl ACT01504 [0,0,0,0,0,0|4,0,0]=4 31 B10R1.13 c1cc(nnc1C(=O)O)Cl ACT01792 [0,0,0,0,0,0|4,0,0]=4 32 B9R1.1 C=Cc1ccc(cc1)Cl ACT07088 [1,0,0,0,0,0|2,0,0]=3 33 B9R1.1 COc1ccc(cc1)Br ACT04984 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.1 COc1cnc(nc1)Cl ACT06635 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.1 CSc1cnc(cn1)Br ACT07157 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.1 Cc1ccc(cc1)C#C ACT10257 [1,0,0,0,0,0|1,0,2]=4 37 B9R1.1 Cc1ccc(cc1)NN ACT01152 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.1 Cc1ccc(cn1)C=O ACT01664 [1,0,0,0,0,0|1,0,0]=2 39 B9R1.1 c1cc(ccc1C=O)O ACT01156 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.1 c1cc(ncc1C#N)Cl ACT05259 [1,0,0,0,0,0|2,0,1]=4 41 B9R1.1 c1cc(ncc1C#N)Cl ACT05444 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.1 c1cc(ncc1C=O)Br ACT01267 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.1 c1cc(ncc1C=O)Cl ACT06906 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.1 c1cc(ncc1CCl)Cl ACT01502 [1,0,0,0,0,0|2,0,1]=4 45 B9R1.1 c1cc(ncc1CO)Br ACT07897 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.1 c1cc(ncc1CO)Cl ACT07560 [1,0,0,0,0,0|2,0,1]=4 47 B9R1.6 B(c1cccnc1)(O)O ACT01359 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.6 CC(=O)c1ccccn1 ACT06583 [1,0,0,0,0,0|3,0,0]=4 49 B9R1.6 CC(=O)c1cccnc1 ACT09581 [1,0,0,0,0,0|1,0,0]=2 50 B9R1.6 CC(=O)c1cnccn1 ACT06619 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.6 C[C@H](c1ccccc1)N ACT09657 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.6 c1cc(cnc1)C(=N)N ACT04510 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.6 c1cc(cnc1)C(=N)N ACT08665 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.6 c1cc(cnc1)C(=O)O ACT11784 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.6 c1cc(cnc1)C(=S)N ACT05846 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.6 c1cnc(cn1)C(=O)O ACT01760 [1,0,0,0,0,0|3,0,0]=4 57 B11R1.3 B(c1ccc(nc1)OC)(O)O ACT01472 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.3 CC(=O)c1ccc(nc1)OC ACT09232 [0,1,0,0,0,0|1,0,0]=2 59 B11R1.3 C[C@H](c1ccc(cc1)OC)N ACT00382 [0,1,0,0,0,0|2,0,1]=4 60 B11R1.3 C[C@H](c1ccc(cc1)OC)N ACT02367 [0,1,0,0,0,0|2,0,1]=4 61 B11R1.3 c1cc(ncc1C(=O)O)C#N ACT11748 [0,1,0,0,0,0|2,0,1]=4 62 B11R1.21 c1c(cnc(c1Br)Cl)C(=O)O ACT02447 [0,1,0,0,0,0|3,0,0]=4 63 B11R1.21 c1c(cnc(c1Br)O)C(=O)O ACT02449 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.21 c1c(cnc(c1Cl)Cl)C(=O)O ACT02438 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.21 c1c(cnc(c1Cl)O)C(=O)O ACT02443 [0,1,0,0,0,0|3,0,0]=4 66 B11R1.22 COC(=O)c1ccc(cc1)I ACT01140 [0,1,0,0,0,0|3,0,0]=4 67 B11R1.22 COC(=O)c1ccc(nc1)N ACT11746 [0,1,0,0,0,0|2,0,0]=3 68 B11R1.22 COC(=O)c1cnc(cn1)Cl ACT01750 [0,1,0,0,0,0|3,0,0]=4 69 B11R1.22 COC(=O)c1cnc(cn1)O ACT11003 [0,1,0,0,0,0|3,0,0]=4 70 B11R1.22 Cc1ccc(cn1)C(=O)OC ACT02408 [0,1,0,0,0,0|1,0,0]=2 71 B11R1.22 c1cc(ccc1C(=O)CBr)N ACT09355 [0,1,0,0,0,0|3,0,0]=4 72 B11R1.166 CC(=O)c1ccc(cc1F)O ACT00564 [0,1,0,0,0,0|3,0,0]=4 73 B11R1.166 Cc1cc(c(cn1)C(=O)O)O ACT02411 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O ACT11812 [0,1,0,0,0,0|3,0,0]=4 75 B11R1.166 Cc1ccc(c(n1)N)[N+](=O)[O-] ACT08276 [0,1,0,0,0,0|3,0,0]=4 76 B11R1.166 c1cc(nc(c1C(=O)O)Br)Br ACT11215 [0,1,0,0,0,0|3,0,0]=4 77 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl ACT02420 [0,1,0,0,0,0|3,0,0]=4 78 B9R1.35 CC(=O)c1ccc(s1)Br ACT09817 [0,0,0,0,1,0|3,0,0]=4 79 B9R1.35 Cc1cc([nH]c1)C(=O)O ACT09177 [0,0,0,0,1,0|3,0,0]=4 80 B9R1.35 Cc1ccc(o1)C(=O)C ACT06497 [0,0,0,0,1,0|2,0,0]=3 81 B9R1.35 Cc1csc(n1)C(=O)O ACT11260 [0,0,0,0,1,0|3,0,0]=4 82 B11R1.20 CC(=O)Cc1ccc(cc1)Br ACT08474 [0,0,0,0,0,1|3,0,0]=4 83 B11R1.20 CC(=O)Nc1ccc(cc1)F ACT09591 [0,0,0,0,0,1|3,0,0]=4 84 B11R1.20 CC(=O)Nc1ccc(cc1)O ACT06727 [0,0,0,0,0,1|3,0,0]=4 85 B11R1.20 c1cc(ncc1CC(=O)O)Cl ACT01506 [0,0,0,0,0,1|3,0,0]=4 86 B8R1.2 C#Cc1cccnc1 ACT01363 [2,0,0,0,0,0|0,0,2]=4 87 B8R1.2 COc1cnccn1 ACT06613 [2,0,0,0,0,0|2,0,0]=4 88 B8R1.2 CSc1cnccn1 ACT01756 [2,0,0,0,0,0|2,0,0]=4 89 B8R1.2 c1cc(cnc1)C#N ACT05843 [2,0,0,0,0,0|1,0,1]=4 90 B8R1.2 c1cc(cnc1)C=O ACT04700 [2,0,0,0,0,0|1,0,0]=3 91 B8R1.3 Cc1ccc(cc1)Cl ACT03438 [2,0,0,0,0,0|2,0,0]=4 92 B8R1.3 Cc1ccc(cc1)I ACT13438 [2,0,0,0,0,0|2,0,0]=4 93 B8R1.3 Cc1ccc(cn1)N ACT04814 [2,0,0,0,0,0|1,0,0]=3 94 B8R1.3 Cc1ccc(cn1)N ACT04814 [2,0,0,0,0,0|1,0,0]=3 95 B8R1.3 Cc1ccc(cn1)O ACT05416 [2,0,0,0,0,0|1,0,0]=3 96 B8R1.3 Cc1ccc(nc1)O ACT03720 [2,0,0,0,0,0|1,0,0]=3 97 B8R1.3 Cc1cnc(cn1)C ACT06610 [2,0,0,0,0,0|1,0,0]=3 98 B8R1.3 Cc1cnc(cn1)N ACT09845 [2,0,0,0,0,0|2,0,0]=4 99 B8R1.3 c1cc(ncc1Br)Br ACT01379 [2,0,0,0,0,0|2,0,0]=4 100 B8R1.3 c1cc(ncc1Br)Cl ACT07051 [2,0,0,0,0,0|2,0,0]=4 101 B8R1.3 c1cc(ncc1Br)F ACT01646 [2,0,0,0,0,0|2,0,0]=4 102 B8R1.3 c1cc(ncc1Br)I ACT01445 [2,0,0,0,0,0|2,0,0]=4 103 B8R1.3 c1cc(ncc1Br)N ACT01339 [2,0,0,0,0,0|2,0,0]=4 104 B8R1.3 c1cc(ncc1Br)O ACT01650 [2,0,0,0,0,0|2,0,0]=4 105 B8R1.3 c1cc(ncc1Cl)N ACT01437 [2,0,0,0,0,0|2,0,0]=4 106 B8R1.3 c1cc(ncc1F)Cl ACT01499 [2,0,0,0,0,0|2,0,0]=4 107 B8R1.3 c1cc(ncc1I)Cl ACT04468 [2,0,0,0,0,0|2,0,0]=4 108 B8R1.3 c1cc(ncc1I)N ACT01433 [2,0,0,0,0,0|2,0,0]=4 109 B8R1.3 c1cc(ncc1N)Br ACT05519 [2,0,0,0,0,0|2,0,0]=4 110 B8R1.3 c1cc(ncc1N)Cl ACT05515 [2,0,0,0,0,0|2,0,0]=4 111 B8R1.3 c1cc(ncc1N)O ACT04951 [2,0,0,0,0,0|2,0,0]=4 112 B8R1.3 c1cc(ncc1O)Br ACT05329 [2,0,0,0,0,0|2,0,0]=4 113 B8R1.3 c1cc(ncc1O)Cl ACT01291 [2,0,0,0,0,0|2,0,0]=4 114 B8R1.3 c1cc(ncc1O)F ACT01454 [2,0,0,0,0,0|2,0,0]=4 115 B8R1.3 c1cc(ncc1O)N ACT01298 [2,0,0,0,0,0|2,0,0]=4 116 B10R1.3 COc1ccc(cn1)C=O ACT05370 [1,1,0,0,0,0|1,0,0]=3 117 B10R1.3 COc1ccc(nc1)C=O ACT09131 [1,1,0,0,0,0|1,0,1]=4 118 B10R1.15 COC(=O)c1cccnc1 ACT11790 [1,1,0,0,0,0|1,0,0]=3 119 B10R1.28 CC(C)(c1cccnc1)N ACT10766 [1,1,0,0,0,0|0,0,2]=4 120 B10R1.61 CC(=O)c1ccccc1Cl ACT06884 [1,1,0,0,0,0|2,0,0]=4 121 B10R1.61 CC(=O)c1ccccc1F ACT10960 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.61 CC(=O)c1ccccc1N ACT05476 [1,1,0,0,0,0|2,0,0]=4 123 B10R1.61 CC(=O)c1ccccc1O ACT05307 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.61 CC(=O)c1cccnc1Cl ACT09849 [1,1,0,0,0,0|1,0,0]=3 125 B10R1.61 Cc1c(cccn1)C(=O)O ACT02414 [1,1,0,0,0,0|2,0,0]=4 126 B10R1.61 Cc1ccccc1C(=O)C ACT07828 [1,1,0,0,0,0|2,0,0]=4 127 B10R1.61 c1cc(c(nc1)Br)C(=O)O ACT02431 [1,1,0,0,0,0|2,0,0]=4 128 B10R1.61 c1cc(c(nc1)Cl)C(=O)O ACT11057 [1,1,0,0,0,0|2,0,0]=4 129 B10R1.61 c1cc(c(nc1)F)C(=O)O ACT05346 [1,1,0,0,0,0|2,0,0]=4 130 B10R1.61 c1cc(c(nc1)N)C(=O)O ACT02423 [1,1,0,0,0,0|2,0,0]=4 131 B10R1.61 c1cc(c(nc1)O)C(=O)O ACT06968 [1,1,0,0,0,0|2,0,0]=4 132 B10R1.61 c1cc(c(nc1)S)C(=O)O ACT06873 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.61 c1cncc(c1Cl)C(=O)O ACT02401 [1,1,0,0,0,0|2,0,0]=4 134 B10R1.61 c1cncc(c1N)C(=O)O ACT02435 [1,1,0,0,0,0|2,0,0]=4 135 B10R1.61 c1cncc(c1O)C(=O)O ACT07024 [1,1,0,0,0,0|2,0,0]=4 136 B10R1.113 CC(=O)c1cc(cnc1)Br ACT09658 [1,1,0,0,0,0|1,0,0]=3 137 B10R1.113 CC(=O)c1cccc(c1)F ACT04233 [1,1,0,0,0,0|2,0,0]=4 138 B10R1.113 c1c(cncc1Br)C(=O)O ACT02450 [1,1,0,0,0,0|2,0,0]=4 139 B10R1.113 c1c(cncc1Cl)C(=O)O ACT02444 [1,1,0,0,0,0|2,0,0]=4 140 B10R1.113 c1c(cncc1N)C(=O)O ACT02440 [1,1,0,0,0,0|2,0,0]=4 141 B10R1.113 c1c(cncc1O)C(=O)O ACT02416 [1,1,0,0,0,0|2,0,0]=4 142 B10R1.14 Cc1csc(n1)C(=O)OC ACT11276 [0,1,0,0,1,0|2,0,0]=4 143 B10R1.59 Cc1cc(c(o1)C)C(=O)C ACT06514 [0,1,0,0,1,0|2,0,0]=4 144 B12R1.5 COC(=O)c1ccc(cc1)CBr ACT01178 [0,2,0,0,0,0|2,0,0]=4 145 B12R1.452 CC(=O)c1ccc(cc1F)OC ACT12896 [0,2,0,0,0,0|2,0,0]=4 146 B12R1.367 COC(=O)c1cc(c(nc1)Cl)Br ACT02448 [0,2,0,0,0,0|2,0,0]=4 147 B12R1.367 Cc1ccc(cc1N)C(=O)OC ACT07499 [0,2,0,0,0,0|2,0,0]=4 148 B12R1.1703 COC(=O)c1ccc(nc1Cl)Cl ACT11257 [0,2,0,0,0,0|2,0,0]=4 149 B12R1.1703 COC(=O)c1cnc(cc1Cl)Cl ACT04491 [0,2,0,0,0,0|2,0,0]=4 150 B12R2.606 Cc1cc2cc(ccc2[nH]1)O ACT09227 [0,0,0,1,0,1|2,0,0]=4 151 B12R2.606 Cc1cc2cc(ccc2o1)O ACT10889 [0,0,0,1,0,1|2,0,0]=4 152 B12R2.606 Cc1ccc2c(c1)cc([nH]2)C ACT05059 [0,0,0,1,0,1|1,0,0]=3 153 B8R1.1 Cc1ccc(o1)C=O ACT06515 [1,0,0,0,1,0|2,0,0]=4 154 B8R1.7 CC(=O)c1c[nH]nc1 ACT09404 [1,0,0,0,1,0|2,0,0]=4 155 B8R1.7 CC(=O)c1ccc[nH]1 ACT06589 [1,0,0,0,1,0|1,0,1]=4 156 B8R1.7 CC(=O)c1ccco1 ACT06495 [1,0,0,0,1,0|2,0,0]=4 157 B8R1.7 CC(=O)c1cccs1 ACT06591 [1,0,0,0,1,0|2,0,0]=4 158 B8R1.7 CC(=O)n1ccnc1 ACT07679 [1,0,0,0,1,0|2,0,0]=4 159 B10R1.18 c1cc(cnc1)CC(=O)O ACT08551 [1,0,0,0,0,1|2,0,0]=4