0 B9R1.15 COc1c(cccn1)I ACT04432 [0,0,0,0,0,0|2,1,0]=3 1 B9R1.15 COc1c(cccn1)N ACT07498 [0,0,0,0,0,0|2,1,0]=3 2 B9R1.15 COc1c(nccn1)Cl ACT10814 [0,0,0,0,0,0|1,1,0]=2 3 B9R1.15 COc1ccc[nH]c1=O ACT09226 [0,0,0,0,0,0|2,1,1]=4 4 B9R1.15 COc1ccccc1Br ACT04851 [0,0,0,0,0,0|3,1,0]=4 5 B9R1.15 CSc1c(cccn1)Br ACT04436 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.15 Cc1c(nccn1)SC ACT06616 [0,0,0,0,0,0|0,0,0]=0 7 B9R1.15 Cc1ccccc1C#C ACT10245 [0,0,0,0,0,0|3,0,1]=4 8 B9R1.15 Cc1ccccc1NN ACT08523 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.15 Cc1cccnc1C#N ACT11034 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.15 c1cc(c(nc1)Cl)C=O ACT01478 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.15 c1cc(c(nc1)Cl)CN ACT10471 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.15 c1cc(c(nc1)Cl)CO ACT01477 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.15 c1cc(c(nc1)N)C=O ACT01307 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.15 c1cc(c(nc1)N)CO ACT04341 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.2 C#Cc1ccccn1 ACT09195 [1,0,0,0,0,0|2,0,1]=4 16 B8R1.2 C#Cc1cccnc1 ACT01363 [1,0,0,0,0,0|2,0,1]=4 17 B8R1.2 COc1ccccn1 ACT06584 [1,0,0,0,0,0|1,1,0]=3 18 B8R1.2 COc1cnccn1 ACT06613 [1,0,0,0,0,0|0,1,0]=2 19 B8R1.2 CSc1cnccn1 ACT01756 [1,0,0,0,0,0|0,0,0]=1 20 B8R1.2 c1cc(cnc1)C#N ACT05843 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.2 c1cc(cnc1)C=O ACT04700 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.2 c1ccnc(c1)C#N ACT05842 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.2 c1ccnc(c1)C=O ACT07081 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.2 c1cnc(cn1)C#N ACT11023 [1,0,0,0,0,0|2,0,0]=3 25 B8R1.2 c1cnc(cn1)CN ACT11863 [1,0,0,0,0,0|2,0,0]=3 26 B8R1.2 c1cnc(cn1)NN ACT08309 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.5 Cc1c(cccn1)N ACT01459 [1,0,0,0,0,0|2,0,0]=3 28 B8R1.5 Cc1c(cccn1)N ACT01459 [1,0,0,0,0,0|2,0,0]=3 29 B8R1.5 Cc1c(cccn1)O ACT01461 [1,0,0,0,0,0|1,1,0]=3 30 B8R1.5 Cc1ccc[nH]c1=O ACT01511 [1,0,0,0,0,0|1,1,1]=4 31 B8R1.5 Cc1ccccc1I ACT05468 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.5 Cc1cccnc1Br ACT06975 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.5 Cc1cccnc1N ACT04697 [1,0,0,0,0,0|2,0,0]=3 34 B8R1.5 c1cc(c(nc1)Br)N ACT03644 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.5 c1cc(c(nc1)Cl)Br ACT01362 [1,0,0,0,0,0|3,0,0]=4 36 B8R1.5 c1cc(c(nc1)Cl)F ACT01345 [1,0,0,0,0,0|3,0,0]=4 37 B8R1.5 c1cc(c(nc1)Cl)I ACT01479 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.5 c1cc(c(nc1)F)I ACT01260 [1,0,0,0,0,0|3,0,0]=4 39 B8R1.5 c1cc(c(nc1)F)O ACT07366 [1,0,0,0,0,0|2,1,0]=4 40 B8R1.5 c1cc(c(nc1)I)F ACT04430 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.5 c1cc(c(nc1)I)O ACT11077 [1,0,0,0,0,0|2,1,0]=4 42 B8R1.5 c1cc(c(nc1)N)I ACT11375 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.5 c1cc(c(nc1)N)N ACT01388 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.5 c1cc(c(nc1)O)Cl ACT04473 [1,0,0,0,0,0|2,1,0]=4 45 B8R1.5 c1cc(c(nc1)O)N ACT01552 [1,0,0,0,0,0|2,1,0]=4 46 B8R1.5 c1ccc(c(c1)S)S ACT11907 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.4 CCNc1ccccc1C ACT11407 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.20 c1cc(c(nc1)CO)CO ACT01669 [0,1,0,0,0,0|3,0,0]=4 49 B10R1.25 COc1c(cc(cn1)Br)Cl ACT08945 [0,1,0,0,0,0|2,1,0]=4 50 B10R1.25 Cc1c(ccc(n1)Cl)C#N ACT11335 [0,1,0,0,0,0|3,0,0]=4 51 B10R1.25 Cc1cc(cnc1C#N)Br ACT09036 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.30 COc1cc(cnc1Cl)N ACT10225 [0,1,0,0,0,0|2,1,0]=4 53 B10R1.61 CC(=O)c1cccnc1Cl ACT09849 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.61 Cc1c(cccn1)C(=O)O ACT02414 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.61 Cc1ccccc1C(=O)C ACT07828 [0,1,0,0,0,0|3,0,0]=4 56 B10R1.61 Cc1cccnc1[N+](=O)[O-] ACT04445 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.61 c1cnc(c(n1)C(=O)O)N ACT01758 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.245 Cc1c(c(=O)cc[nH]1)OC ACT04443 [0,1,0,0,0,0|1,1,1]=4 59 B10R2.7 c1cc2c(nc1)CCC2 ACT01400 [0,0,0,1,0,0|2,0,0]=3 60 B8R1.11 Cc1c([nH]cn1)CO ACT08028 [0,0,0,0,1,0|2,0,1]=4 61 B8R1.11 Cn1ccnc1CO ACT04493 [0,0,0,0,1,0|3,0,0]=4 62 B7R1.3 Cc1cnccn1 ACT06608 [2,0,0,0,0,0|0,0,0]=2 63 B7R1.3 Cc1cncnc1 ACT01372 [2,0,0,0,0,0|2,0,0]=4 64 B7R1.3 c1cc(cnc1)Br ACT01584 [2,0,0,0,0,0|2,0,0]=4 65 B7R1.3 c1cc(cnc1)Cl ACT01563 [2,0,0,0,0,0|2,0,0]=4 66 B7R1.3 c1cc(cnc1)I ACT07335 [2,0,0,0,0,0|2,0,0]=4 67 B7R1.3 c1cc(cnc1)N ACT09740 [2,0,0,0,0,0|2,0,0]=4 68 B7R1.3 c1cc(cnc1)O ACT07256 [2,0,0,0,0,0|1,1,0]=4 69 B7R1.3 c1ccnc(c1)Br ACT05539 [2,0,0,0,0,0|2,0,0]=4 70 B7R1.3 c1ccnc(c1)F ACT01456 [2,0,0,0,0,0|2,0,0]=4 71 B7R1.3 c1ccnc(c1)I ACT09780 [2,0,0,0,0,0|2,0,0]=4 72 B7R1.3 c1ccnc(c1)N ACT09785 [2,0,0,0,0,0|2,0,0]=4 73 B7R1.3 c1ccnc(c1)O ACT08592 [2,0,0,0,0,0|1,1,0]=4 74 B7R1.3 c1ccnc(c1)S ACT05649 [2,0,0,0,0,0|1,0,0]=3 75 B7R1.3 c1cnc(cn1)Br ACT01757 [2,0,0,0,0,0|1,0,0]=3 76 B7R1.3 c1cnc(cn1)Cl ACT11007 [2,0,0,0,0,0|1,0,0]=3 77 B7R1.3 c1cnc(cn1)N ACT01748 [2,0,0,0,0,0|1,0,0]=3 78 B7R1.3 c1cnc(cn1)S ACT06620 [2,0,0,0,0,0|0,0,0]=2 79 B9R1.1 COc1ccc(cn1)Br ACT01474 [1,1,0,0,0,0|1,1,0]=4 80 B9R1.1 COc1ccc(cn1)O ACT11358 [1,1,0,0,0,0|1,1,0]=4 81 B9R1.1 CSc1cnc(cn1)Br ACT07157 [1,1,0,0,0,0|0,0,0]=2 82 B9R1.1 c1c(ncc(n1)Cl)CO ACT10135 [1,1,0,0,0,0|2,0,0]=4 83 B9R1.1 c1c(ncc(n1)N)C#N ACT01755 [1,1,0,0,0,0|2,0,0]=4 84 B9R1.2 COc1cc(ccn1)Br ACT01471 [1,1,0,0,0,0|1,1,0]=4 85 B9R1.2 COc1cc(cnc1)Br ACT10406 [1,1,0,0,0,0|1,1,0]=4 86 B9R1.2 COc1cccc(n1)Br ACT05651 [1,1,0,0,0,0|1,1,0]=4 87 B9R1.2 COc1cccc(n1)Cl ACT10158 [1,1,0,0,0,0|1,1,0]=4 88 B9R1.2 COc1cccc(n1)N ACT01441 [1,1,0,0,0,0|1,1,0]=4 89 B9R1.6 CC(=O)c1ccccn1 ACT06583 [1,1,0,0,0,0|2,0,0]=4 90 B9R1.6 CC(=O)c1cccnc1 ACT09581 [1,1,0,0,0,0|2,0,0]=4 91 B9R1.6 CC(=O)c1cnccn1 ACT06619 [1,1,0,0,0,0|1,0,0]=3 92 B9R1.6 C[C@@H](c1ccccn1)N ACT09467 [1,1,0,0,0,0|2,0,0]=4 93 B9R1.6 c1cnc(cn1)C(=O)O ACT01760 [1,1,0,0,0,0|2,0,0]=4 94 B9R1.8 CCOc1cnccn1 ACT06614 [1,1,0,0,0,0|0,1,0]=3 95 B9R1.8 CSSc1ccccc1 ACT06218 [1,1,0,0,0,0|2,0,0]=4 96 B9R1.8 c1cc(cnc1)CCN ACT01355 [1,1,0,0,0,0|2,0,0]=4 97 B9R1.8 c1ccnc(c1)CCBr ACT10142 [1,1,0,0,0,0|2,0,0]=4 98 B9R1.69 Cc1c(cc(cn1)Br)N ACT01458 [1,1,0,0,0,0|2,0,0]=4 99 B9R1.69 Cc1c(cc(cn1)Cl)Cl ACT08046 [1,1,0,0,0,0|2,0,0]=4 100 B9R1.69 Cc1c(ccc(n1)F)Br ACT08003 [1,1,0,0,0,0|2,0,0]=4 101 B9R1.69 Cc1c(ccc(n1)N)Br ACT01293 [1,1,0,0,0,0|2,0,0]=4 102 B9R1.69 Cc1cc(cnc1Br)Br ACT07110 [1,1,0,0,0,0|2,0,0]=4 103 B9R1.69 Cc1cc(cnc1Br)Cl ACT01526 [1,1,0,0,0,0|2,0,0]=4 104 B9R1.69 Cc1cc(cnc1Br)N ACT08024 [1,1,0,0,0,0|2,0,0]=4 105 B9R1.69 Cc1cc(cnc1Cl)Br ACT01482 [1,1,0,0,0,0|2,0,0]=4 106 B9R1.69 Cc1cc(cnc1Cl)N ACT08018 [1,1,0,0,0,0|2,0,0]=4 107 B9R1.69 Cc1cc(cnc1F)Br ACT07775 [1,1,0,0,0,0|2,0,0]=4 108 B9R1.69 Cc1cc(cnc1F)Cl ACT08004 [1,1,0,0,0,0|2,0,0]=4 109 B9R1.69 Cc1cc(cnc1F)N ACT11393 [1,1,0,0,0,0|2,0,0]=4 110 B9R1.69 Cc1cc(cnc1N)Br ACT05511 [1,1,0,0,0,0|2,0,0]=4 111 B9R1.69 Cc1cc(cnc1O)Br ACT11183 [1,1,0,0,0,0|1,1,0]=4 112 B9R1.69 Cc1cnc(c(n1)C)C ACT06611 [1,1,0,0,0,0|0,0,0]=2 113 B9R1.69 c1c(nc(c(n1)N)Br)Br ACT01745 [1,1,0,0,0,0|2,0,0]=4 114 B9R1.22 Cn1c(nc(n1)N)SC ACT08942 [0,1,0,0,1,0|1,0,0]=3 115 B11R1.86 Cc1cccnc1NC(=O)C ACT11134 [0,2,0,0,0,0|2,0,0]=4 116 B11R1.222 COC(=O)c1c(nccn1)N ACT01741 [0,2,0,0,0,0|1,1,0]=4 117 B11R2.20 c1cnc2c(n1)CCCC2 ACT06621 [0,1,0,1,0,0|1,0,0]=3 118 B11R2.1 CC1CCc2c1nccn2 ACT06624 [0,1,0,1,0,0|1,0,0]=3 119 B11R2.36 c1cc(nc2c1CCC2)Cl ACT07572 [0,1,0,1,0,0|2,0,0]=4 120 B7R1.1 CCc1ccco1 ACT06582 [1,0,0,0,1,0|2,0,0]=4 121 B7R1.1 CCc1ccsc1 ACT11601 [1,0,0,0,1,0|2,0,0]=4 122 B7R1.1 CCn1ccnc1 ACT08635 [1,0,0,0,1,0|2,0,0]=4 123 B7R1.1 COc1cccs1 ACT11607 [1,0,0,0,1,0|1,1,0]=4 124 B7R1.1 COc1ccsc1 ACT11613 [1,0,0,0,1,0|1,1,0]=4 125 B7R1.4 Cc1c(cco1)S ACT06377 [1,0,0,0,1,0|1,0,0]=3 126 B7R1.4 Cc1ccnn1C ACT04243 [1,0,0,0,1,0|1,0,0]=3 127 B7R1.4 Cc1ccsc1Br ACT02266 [1,0,0,0,1,0|2,0,0]=4