0 B9R1.8 c1ccc(cc1)CNN CM14002 [1,0,0,0,0,0|2,0,0]=3 1 B9R1.8 c1ccc(cc1)CNO CM10002 [1,0,0,0,0,0|1,0,0]=2 2 B11R1.20 CC(=O)Cc1ccc(cc1)Cl CM10951 [0,1,0,0,0,0|1,0,0]=2 3 B11R1.20 CC(=O)Cc1ccc(cc1)F CM10927 [0,1,0,0,0,0|1,0,0]=2 4 B11R1.20 CC(=O)Oc1ccc(cc1)F CM12027 [0,1,0,0,0,0|2,0,0]=3 5 B11R1.20 CC(C)Cc1ccc(cc1)Br CM12109 [0,1,0,0,0,0|2,0,1]=4 6 B11R1.20 c1cc(ccc1CC(=O)O)F CM13704 [0,1,0,0,0,0|0,0,0]=1 7 B11R1.20 c1cc(ccc1F)[ClH]C(=O)[O-] CM13921 [0,1,0,0,0,0|1,0,1]=3 8 B11R1.20 c1cc(ccc1[ClH]C(=O)[O-])Br CM13923 [0,1,0,0,0,0|1,0,1]=3 9 B11R1.86 CC(=O)Cc1ccccc1Cl CM10944 [0,1,0,0,0,0|1,0,0]=2 10 B11R1.86 CC(=O)Cc1ccccc1F CM10960 [0,1,0,0,0,0|1,0,0]=2 11 B11R1.157 Cc1cccc(c1)CC(=O)O CM13725 [0,1,0,0,0,0|0,0,0]=1 12 B11R1.157 c1cc(cc(c1)F)CC(=O)O CM13703 [0,1,0,0,0,0|0,0,0]=1 13 B11R1.157 c1cc(cc(c1)I)CC(=O)O CM13719 [0,1,0,0,0,0|0,0,0]=1 14 B11R2.10 c1ccc2c(c1)CN(C2)N CM10313 [0,0,0,1,0,0|3,0,0]=4 15 B9R1.6 B(c1ccncc1)(O)O CM10013 [0,0,0,0,1,0|2,0,1]=4 16 B9R1.6 c1cc(c[nH+]c1)C(=N)N CM13840 [0,0,0,0,1,0|3,0,0]=4 17 B9R1.6 c1ccnc(c1)C(=N)N CM13839 [0,0,0,0,1,0|3,0,0]=4 18 B9R1.6 c1cncnc1C(=O)O CM10263 [0,0,0,0,1,0|2,0,0]=3 19 B11R1.91 CC(=O)COc1ccccc1 CM11227 [0,0,0,0,0,1|1,0,0]=2 20 B10R1.1 Cc1ccc(cc1)CC#N CM13728 [1,1,0,0,0,0|1,0,1]=4 21 B10R1.1 c1cc(ccc1CC#N)F CM13705 [1,1,0,0,0,0|1,0,1]=4 22 B10R1.1 c1cc(ccc1CCBr)Cl CM13503 [1,1,0,0,0,0|1,0,1]=4 23 B10R1.1 c1cc(ccc1CCBr)F CM13509 [1,1,0,0,0,0|1,0,1]=4 24 B10R1.1 c1cc(ccc1CCCl)Cl CM13502 [1,1,0,0,0,0|1,0,1]=4 25 B10R1.1 c1cc(ccc1CCO)Cl CM13495 [1,1,0,0,0,0|0,0,1]=3 26 B10R1.1 c1cc(ccc1CCO)F CM13508 [1,1,0,0,0,0|0,0,1]=3 27 B10R1.1 c1cc(ccc1CCO)O CM10966 [1,1,0,0,0,0|0,0,1]=3 28 B10R1.1 c1cc(ccc1N=C=O)F CM13772 [1,1,0,0,0,0|1,0,1]=4 29 B10R1.4 c1ccc(c(c1)C=NO)F CM12025 [1,1,0,0,0,0|1,0,1]=4 30 B10R1.4 c1ccc(c(c1)CC#N)N CM13645 [1,1,0,0,0,0|1,0,1]=4 31 B10R1.4 c1ccc(c(c1)CCO)Br CM13494 [1,1,0,0,0,0|0,0,1]=3 32 B10R1.10 c1cc(cc(c1)Br)CC#N CM13649 [1,1,0,0,0,0|1,0,1]=4 33 B10R1.10 c1cc(cc(c1)F)CC#N CM13701 [1,1,0,0,0,0|1,0,1]=4 34 B10R1.10 c1cc(cc(c1)F)CCN CM13556 [1,1,0,0,0,0|1,0,1]=4 35 B10R1.10 c1cc(cc(c1)F)CCO CM13507 [1,1,0,0,0,0|0,0,1]=3 36 B10R1.10 c1cc(cc(c1)N)CC#N CM13646 [1,1,0,0,0,0|1,0,1]=4 37 B10R1.10 c1cc(cc(c1)N)CCO CM10010 [1,1,0,0,0,0|0,0,1]=3 38 B10R1.10 c1cc(cc(c1)O)CNN CM14001 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.15 CCC(C)c1ccccc1 CM12120 [1,1,0,0,0,0|1,0,1]=4 40 B10R1.15 c1ccc(cc1)C(C#N)N CM11081 [1,1,0,0,0,0|1,0,1]=4 41 B10R1.13 B(c1ccc(cc1)F)(O)O CM13569 [0,1,0,0,1,0|1,0,1]=4 42 B10R1.13 CC(=C)c1ccc(cc1)O CM10479 [0,1,0,0,1,0|2,0,0]=4 43 B10R1.13 CC(=O)c1ccc(cc1)Cl CM11155 [0,1,0,0,1,0|1,0,0]=3 44 B10R1.13 CC(=O)c1ccc(cc1)F CM11198 [0,1,0,0,1,0|1,0,0]=3 45 B10R1.13 CC(=O)c1ccc(cc1)I CM11220 [0,1,0,0,1,0|1,0,0]=3 46 B10R1.13 CC(=O)c1ccc(nc1)Cl CM11170 [0,1,0,0,1,0|2,0,0]=4 47 B10R1.13 Cc1ccc(cc1)C(=O)C CM10006 [0,1,0,0,1,0|1,0,0]=3 48 B10R1.13 Cc1ccc(cc1)C(=O)N CM13184 [0,1,0,0,1,0|1,0,0]=3 49 B10R1.13 c1c(cnc(n1)C(=O)O)Br CM14286 [0,1,0,0,1,0|2,0,0]=4 50 B10R1.13 c1c(cnc(n1)C(=O)O)Cl CM14287 [0,1,0,0,1,0|2,0,0]=4 51 B10R1.13 c1c(cnc(n1)Cl)C(=O)O CM14062 [0,1,0,0,1,0|2,0,0]=4 52 B10R1.13 c1cc(ccc1C(=O)Cl)Br CM12451 [0,1,0,0,1,0|1,0,0]=3 53 B10R1.13 c1cc(ccc1C(=O)Cl)F CM12712 [0,1,0,0,1,0|1,0,0]=3 54 B10R1.13 c1cc(ccc1C(=O)Cl)I CM12820 [0,1,0,0,1,0|1,0,0]=3 55 B10R1.13 c1cc(ccc1C(=O)N)F CM13176 [0,1,0,0,1,0|1,0,0]=3 56 B10R1.13 c1cc(ccc1C(=O)O)F CM12711 [0,1,0,0,1,0|0,0,0]=2 57 B10R1.13 c1cc(ccc1C(=O)O)I CM12819 [0,1,0,0,1,0|0,0,0]=2 58 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br CM12110 [0,1,0,0,1,0|1,0,1]=4 59 B10R1.13 c1cc(ccc1[N+](=O)[O-])F CM12273 [0,1,0,0,1,0|1,0,1]=4 60 B10R1.13 c1cc(ncc1C(=O)O)N CM10961 [0,1,0,0,1,0|1,0,0]=3 61 B10R1.13 c1cc(ncc1F)C(=O)O CM14030 [0,1,0,0,1,0|1,0,0]=3 62 B10R1.13 c1cc(ncc1I)C(=O)O CM10490 [0,1,0,0,1,0|1,0,0]=3 63 B10R1.61 CC(=O)c1ccccc1Br CM11134 [0,1,0,0,1,0|1,0,0]=3 64 B10R1.61 CC(=O)c1ccccc1I CM11218 [0,1,0,0,1,0|1,0,0]=3 65 B10R1.61 c1ccc(c(c1)C(=O)N)I CM13180 [0,1,0,0,1,0|1,0,0]=3 66 B10R1.61 c1ccc(c(c1)C(=O)O)F CM12709 [0,1,0,0,1,0|0,0,0]=2 67 B10R1.61 c1ccc(c(c1)C(=O)O)I CM12818 [0,1,0,0,1,0|0,0,0]=2 68 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])F CM12272 [0,1,0,0,1,0|1,0,1]=4 69 B10R1.61 c1cncc(c1Br)C(=O)O CM14036 [0,1,0,0,1,0|1,0,0]=3 70 B10R1.113 CC(=O)c1cc(ccn1)Cl CM10835 [0,1,0,0,1,0|2,0,0]=4 71 B10R1.113 CC(=O)c1cccc(c1)F CM11197 [0,1,0,0,1,0|1,0,0]=3 72 B10R1.113 CC(=O)c1cccc(c1)I CM11219 [0,1,0,0,1,0|1,0,0]=3 73 B10R1.113 CC(c1cccc(c1)F)O CM13506 [0,1,0,0,1,0|1,0,1]=4 74 B10R1.113 Cc1cccc(c1)C(=O)C CM11223 [0,1,0,0,1,0|1,0,0]=3 75 B10R1.113 Cc1cccc(c1)C(=S)O CM12849 [0,1,0,0,1,0|0,1,0]=3 76 B10R1.113 Cc1cncc(n1)C(=O)O CM14090 [0,1,0,0,1,0|2,0,0]=4 77 B10R1.113 c1c(cncc1Br)C(=O)O CM14037 [0,1,0,0,1,0|1,0,0]=3 78 B10R1.113 c1c(nc(cn1)Br)C(=O)O CM10659 [0,1,0,0,1,0|2,0,0]=4 79 B10R1.113 c1c(nc(cn1)Cl)C(=O)O CM10658 [0,1,0,0,1,0|2,0,0]=4 80 B10R1.113 c1cc(cc(c1)F)C(=O)O CM12710 [0,1,0,0,1,0|0,0,0]=2 81 B10R1.113 c1cc(cc(c1)N)C(=O)N CM13163 [0,1,0,0,1,0|1,0,0]=3 82 B10R1.113 c1cc(cc(c1)S)C(=O)O CM10051 [0,1,0,0,1,0|0,0,0]=2 83 B10R1.113 c1cc(nc(c1)Cl)C(=O)O CM10033 [0,1,0,0,1,0|1,0,0]=3 84 B10R1.113 c1cnc(cc1C(=O)O)N CM14043 [0,1,0,0,1,0|1,0,0]=3 85 B10R1.113 c1cnc(cc1I)C(=O)O CM10569 [0,1,0,0,1,0|1,0,0]=3 86 B10R1.113 c1cnc(nc1C(=O)O)N CM14051 [0,1,0,0,1,0|2,0,0]=4 87 B12R1.21 c1cc(ncc1C=CC(=O)O)N CM11013 [0,1,0,0,0,1|1,0,1]=4 88 B12R1.27 COC(=O)CCc1ccccc1 CM13745 [0,1,0,0,0,1|0,0,0]=2 89 B12R1.107 CC(c1ccccc1)NC(=O)C CM11017 [0,1,0,0,0,1|1,0,0]=3 90 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br CM13747 [0,1,0,0,0,1|0,0,0]=2 91 B12R1.226 c1cc(cc(c1)Br)C=CC(=O)O CM13573 [0,1,0,0,0,1|0,0,1]=3 92 B12R1.4 CCc1ccc(cc1)CC(=O)C CM11252 [0,2,0,0,0,0|1,0,0]=3 93 B12R1.4 c1cc(ccc1CC(=O)O)C#N CM13684 [0,2,0,0,0,0|0,0,0]=2 94 B12R1.19 Cc1ccc(cc1C)CC(=O)O CM13697 [0,2,0,0,0,0|0,0,0]=2 95 B12R1.19 c1cc(c(cc1CC(=O)O)Br)O CM13658 [0,2,0,0,0,0|0,0,0]=2 96 B12R1.19 c1cc(c(cc1CC(=O)O)F)Cl CM13673 [0,2,0,0,0,0|0,0,0]=2 97 B12R1.19 c1cc(c(cc1CC(=O)O)F)O CM13706 [0,2,0,0,0,0|0,0,0]=2 98 B12R1.49 COC(=O)Cc1ccc(cc1)O CM13716 [0,2,0,0,0,0|0,0,0]=2 99 B12R1.233 c1cc(c(cc1Br)F)CC(=O)O CM13655 [0,2,0,0,0,0|0,0,0]=2 100 B12R1.233 c1cc(c(cc1Cl)F)CC(=O)O CM13670 [0,2,0,0,0,0|0,0,0]=2 101 B12R1.233 c1cc(c(cc1F)F)CC(=O)O CM13690 [0,2,0,0,0,0|0,0,0]=2 102 B12R1.233 c1cc(c(cc1N)F)CC(=O)O CM13648 [0,2,0,0,0,0|0,0,0]=2 103 B12R1.50 COC(=O)Cc1cccc(c1)F CM13702 [0,2,0,0,0,0|0,0,0]=2 104 B12R1.50 COC(=O)Cc1cccc(c1)N CM13647 [0,2,0,0,0,0|0,0,0]=2 105 B12R1.75 c1ccc(c(c1)CC(=O)O)C#N CM13682 [0,2,0,0,0,0|0,0,0]=2 106 B12R1.127 c1cc(c(cc1Br)CC(=O)O)Br CM13689 [0,2,0,0,0,0|0,0,0]=2 107 B12R1.127 c1cc(c(cc1Br)CC(=O)O)F CM10070 [0,2,0,0,0,0|0,0,0]=2 108 B12R1.224 Cc1cccc(c1C)CC(=O)O CM13696 [0,2,0,0,0,0|0,0,0]=2 109 B12R1.1009 c1cc(c(c(c1)Cl)CC(=O)O)F CM13665 [0,2,0,0,0,0|0,0,0]=2 110 B12R1.101 Cc1cc(cc(c1)CC(=O)O)C CM13698 [0,2,0,0,0,0|0,0,0]=2 111 B12R1.101 c1c(cc(cc1F)Cl)CC(=O)O CM13667 [0,2,0,0,0,0|0,0,0]=2 112 B12R1.101 c1c(cc(cc1F)F)CC(=O)O CM13693 [0,2,0,0,0,0|0,0,0]=2 113 B12R1.438 CC(=O)Cc1cccc(c1)OC CM11254 [0,2,0,0,0,0|1,0,0]=3 114 B12R1.438 c1cc(cc(c1)C#N)CC(=O)O CM13683 [0,2,0,0,0,0|0,0,0]=2 115 B10R2.7 c1ccc2c(c1)CNC2 CM10320 [1,0,0,1,0,0|2,0,0]=4 116 B12R2.24 c1ccc2c(c1)[nH]c(=O)cn2 CM14099 [0,0,0,1,0,1|1,0,1]=4 117 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 CM14289 [0,1,0,1,0,0|1,0,0]=3 118 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 CM14364 [0,1,0,1,0,0|1,0,0]=3 119 B12R2.606 c1cc2c(cc1Br)nc(o2)N CM10622 [0,1,0,1,0,0|2,0,0]=4 120 B12R2.606 c1cc2c(cc1F)NC(=O)C2 CM14302 [0,1,0,1,0,0|1,0,0]=3 121 B12R2.18 Cn1c2ccccc2oc1=O CM14408 [0,1,0,1,0,0|1,0,0]=3 122 B12R2.202 c1cc2c(c(c1)Br)CC(=O)N2 CM14303 [0,1,0,1,0,0|1,0,0]=3 123 B12R2.202 c1cc2c(c(c1)Br)NC(=O)C2 CM14308 [0,1,0,1,0,0|1,0,0]=3 124 B12R2.202 c1cc2c(c(c1)Cl)NC(=O)C2 CM14306 [0,1,0,1,0,0|1,0,0]=3 125 B12R2.202 c1cc2c(c(c1)F)NC(=O)C2 CM14365 [0,1,0,1,0,0|1,0,0]=3 126 B8R1.7 c1c(nc[nH]1)C(=O)O CM14067 [0,0,0,0,2,0|2,0,0]=4 127 B8R1.7 c1cn[nH]c1C(=O)O CM11038 [0,0,0,0,2,0|2,0,0]=4 128 B12R1.252 c1ccc(cc1)COCC(=O)O CM13869 [0,0,0,0,0,2|0,0,0]=2