0 B10R1.15 CCC(C)c1ccccc1 CM12120 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.15 c1ccc(cc1)C(=O)CF CM11196 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.15 c1ccc(cc1)C(C#N)N CM11081 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.6 B(c1ccncc1)(O)O CM10013 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.6 CN(C)c1cncnc1 CM10165 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.8 c1ccc(cc1)CNN CM14002 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.8 c1ccc(cc1)CNO CM10002 [1,0,0,0,0,0|1,0,0]=2 7 B11R1.12 B(CC)(CC)c1cccnc1 CM10967 [0,1,0,0,0,0|3,0,0]=4 8 B11R1.22 c1cc(ccc1C(=NO)N)F CM12026 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.22 c1cc(ccc1C(=O)CBr)Br CM11176 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.22 c1cc(ccc1C(=O)CBr)Cl CM11135 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.22 c1cc(ccc1C(=O)CBr)F CM11141 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.22 c1cc(ccc1C(=O)CN)Br CM11121 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.22 c1cc(ccc1C(CO)O)Br CM10185 [0,1,0,0,0,0|1,0,0]=2 14 B11R1.23 CCC(=O)c1cccc(c1)N CM11248 [0,1,0,0,0,0|2,0,1]=4 15 B11R1.23 c1cc(cc(c1)O)C(=O)CBr CM11149 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.222 CCC(C)c1ccccc1N CM11342 [0,1,0,0,0,0|1,0,0]=2 17 B11R2.1 Cc1c2ccccc2[nH]n1 CM10785 [0,0,0,1,0,0|2,0,1]=4 18 B11R2.1 Cn1c2ccccc2nn1 CM11059 [0,0,0,1,0,0|3,0,0]=4 19 B11R2.1 c1ccc2c(c1)c(co2)Br CM10750 [0,0,0,1,0,0|1,0,2]=4 20 B11R2.1 c1ccc2c(c1)c(no2)Cl CM10136 [0,0,0,1,0,0|2,0,1]=4 21 B11R2.1 c1ccc2c(c1)c(no2)O CM10137 [0,0,0,1,0,0|2,0,1]=4 22 B8R1.2 COc1cccnc1 CM10357 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.13 B(c1ccc(cc1)F)(O)O CM13569 [1,1,0,0,0,0|2,0,0]=4 24 B10R1.13 CC(=C)c1ccc(cc1)O CM10479 [1,1,0,0,0,0|0,0,2]=4 25 B10R1.13 CC(=O)c1ccc(cc1)Cl CM11155 [1,1,0,0,0,0|0,0,2]=4 26 B10R1.13 CC(=O)c1ccc(cc1)F CM11198 [1,1,0,0,0,0|0,0,2]=4 27 B10R1.13 CC(=O)c1ccc(cc1)I CM11220 [1,1,0,0,0,0|0,0,2]=4 28 B10R1.13 CC(C)c1ncc(cn1)Br CM10687 [1,1,0,0,0,0|2,0,0]=4 29 B10R1.13 CC(c1ccc(cc1)Cl)N CM13559 [1,1,0,0,0,0|1,0,0]=3 30 B10R1.13 CN(C)c1ccc(cc1)Cl CM11355 [1,1,0,0,0,0|1,0,0]=3 31 B10R1.13 CN(C)c1ccc(cc1)O CM10392 [1,1,0,0,0,0|1,0,0]=3 32 B10R1.13 Cc1ccc(cc1)C(=O)C CM10006 [1,1,0,0,0,0|0,0,2]=4 33 B10R1.13 c1cc(ccc1C(=O)O)F CM12711 [1,1,0,0,0,0|1,0,1]=4 34 B10R1.13 c1cc(ccc1C(=O)O)I CM12819 [1,1,0,0,0,0|1,0,1]=4 35 B10R1.13 c1cc(ccc1C(F)F)Br CM12065 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.61 CC(=O)c1ccccc1Br CM11134 [1,1,0,0,0,0|0,0,2]=4 37 B10R1.61 CC(=O)c1ccccc1I CM11218 [1,1,0,0,0,0|0,0,2]=4 38 B10R1.61 CC(C)c1ccccc1Br CM12111 [1,1,0,0,0,0|0,0,0]=2 39 B10R1.61 CN(C)c1ccccc1F CM11439 [1,1,0,0,0,0|1,0,0]=3 40 B10R1.61 c1ccc(c(c1)C(=O)O)F CM12709 [1,1,0,0,0,0|1,0,1]=4 41 B10R1.61 c1ccc(c(c1)C(=O)O)I CM12818 [1,1,0,0,0,0|1,0,1]=4 42 B10R1.113 CC(=O)c1cccc(c1)F CM11197 [1,1,0,0,0,0|0,0,2]=4 43 B10R1.113 CC(=O)c1cccc(c1)I CM11219 [1,1,0,0,0,0|0,0,2]=4 44 B10R1.113 CC(C)c1cccc(c1)Br CM12107 [1,1,0,0,0,0|0,0,0]=2 45 B10R1.113 CC(C)c1cccc(n1)Br CM13845 [1,1,0,0,0,0|1,0,0]=3 46 B10R1.113 CC(c1cccc(c1)F)N CM13557 [1,1,0,0,0,0|1,0,0]=3 47 B10R1.113 CC(c1cccc(c1)F)O CM13506 [1,1,0,0,0,0|0,0,0]=2 48 B10R1.113 CN(C)c1cc(ccn1)Br CM10673 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.113 CN(C)c1cccc(n1)Br CM10139 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.113 CN(C)c1ccnc(c1)Br CM10679 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.113 Cc1cccc(c1)C(=O)C CM11223 [1,1,0,0,0,0|0,0,2]=4 52 B10R1.113 Cc1cccc(c1)C(=S)O CM12849 [1,1,0,0,0,0|1,0,1]=4 53 B10R1.113 c1cc(cc(c1)F)C(=O)O CM12710 [1,1,0,0,0,0|1,0,1]=4 54 B10R1.113 c1cc(cc(c1)F)C(F)F CM12223 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.113 c1cc(cc(c1)S)C(=O)O CM10051 [1,1,0,0,0,0|1,0,1]=4 56 B10R1.1 Cc1ccc(cc1)CC#N CM13728 [1,1,0,0,0,0|1,0,1]=4 57 B10R1.1 c1cc(ccc1CC#N)F CM13705 [1,1,0,0,0,0|1,0,1]=4 58 B10R1.1 c1cc(ccc1CCBr)Cl CM13503 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.1 c1cc(ccc1CCBr)F CM13509 [1,1,0,0,0,0|1,0,0]=3 60 B10R1.1 c1cc(ccc1CCCl)Cl CM13502 [1,1,0,0,0,0|1,0,0]=3 61 B10R1.1 c1cc(ccc1CCO)Cl CM13495 [1,1,0,0,0,0|0,0,0]=2 62 B10R1.1 c1cc(ccc1CCO)F CM13508 [1,1,0,0,0,0|0,0,0]=2 63 B10R1.1 c1cc(ccc1CCO)O CM10966 [1,1,0,0,0,0|0,0,0]=2 64 B10R1.4 c1ccc(c(c1)C=NO)F CM12025 [1,1,0,0,0,0|1,0,1]=4 65 B10R1.4 c1ccc(c(c1)CC#N)N CM13645 [1,1,0,0,0,0|1,0,1]=4 66 B10R1.4 c1ccc(c(c1)CCO)Br CM13494 [1,1,0,0,0,0|0,0,0]=2 67 B10R1.10 c1cc(cc(c1)Br)CC#N CM13649 [1,1,0,0,0,0|1,0,1]=4 68 B10R1.10 c1cc(cc(c1)F)CC#N CM13701 [1,1,0,0,0,0|1,0,1]=4 69 B10R1.10 c1cc(cc(c1)F)CCN CM13556 [1,1,0,0,0,0|1,0,0]=3 70 B10R1.10 c1cc(cc(c1)F)CCO CM13507 [1,1,0,0,0,0|0,0,0]=2 71 B10R1.10 c1cc(cc(c1)N)CC#N CM13646 [1,1,0,0,0,0|1,0,1]=4 72 B10R1.10 c1cc(cc(c1)N)CCO CM10010 [1,1,0,0,0,0|0,0,0]=2 73 B10R1.10 c1cc(cc(c1)O)CNN CM14001 [1,1,0,0,0,0|2,0,0]=4 74 B12R1.243 COC(c1ccccc1I)OC CM11997 [0,2,0,0,0,0|2,0,0]=4 75 B12R1.107 CC(c1ccccc1)NC(=O)C CM11017 [0,2,0,0,0,0|0,0,2]=4 76 B12R1.564 c1ccc(cc1)C(C(F)(F)F)O CM13493 [0,2,0,0,0,0|2,0,0]=4 77 B10R2.7 c1ccc2c(c1)CNC2 CM10320 [1,0,0,1,0,0|2,0,0]=4 78 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 CM13881 [0,1,0,1,0,0|1,0,1]=4 79 B12R2.1081 c1ccc2c(c1)C(CCO2)N CM10306 [0,1,0,1,0,0|1,0,0]=3 80 B12R2.612 c1cc2c(cc1Br)OCC2=O CM10487 [0,1,0,1,0,0|1,0,1]=4 81 B12R2.612 c1cc2c(cc1Cl)OCC2=O CM10772 [0,1,0,1,0,0|1,0,1]=4 82 B12R2.612 c1cc2c(cc1O)OCC2=O CM10744 [0,1,0,1,0,0|1,0,1]=4 83 B12R2.132 c1cc2c(cc1Br)C(=O)CO2 CM10486 [0,1,0,1,0,0|1,0,1]=4 84 B12R2.132 c1cc2c(cc1Br)C(=O)CO2 CM10771 [0,1,0,1,0,0|1,0,1]=4 85 B12R2.132 c1cc2c(cc1Cl)C(=O)CO2 CM10770 [0,1,0,1,0,0|1,0,1]=4