0 B10R1.1 CCOc1ccc(cn1)Br LS20352 [1,0,0,0,0,0|2,0,0]=3 1 B10R1.1 Cc1ccc(cc1)CCN LS11229 [1,0,0,0,0,0|2,0,1]=4 2 B10R1.1 Cc1ccc(cc1)CCO LS11239 [1,0,0,0,0,0|2,0,1]=4 3 B10R1.1 c1cc(ccc1CCN)Br LS11228 [1,0,0,0,0,0|3,0,0]=4 4 B10R1.1 c1cc(ccc1CCN)Cl LS11230 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.1 c1cc(ccc1CCN)N LS10602 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.1 c1cc(ccc1CCN)O LS11714 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.1 c1cc(ccc1CCO)Br LS11249 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.1 c1cc(ccc1CCO)Cl LS11400 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.1 c1cc(ccc1CCO)F LS11241 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.3 c1cc(ccc1CCl)C#N LS11851 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.3 c1cc(ccc1CCl)CCl LS11854 [1,0,0,0,0,0|2,0,1]=4 12 B12R1.4 CC(=O)Oc1ccc(cc1)C=C LS00144 [0,1,0,0,0,0|1,0,1]=3 13 B12R1.71 CCCOc1ccc(cc1)C=O LS10540 [0,1,0,0,0,0|0,0,0]=1 14 B12R1.113 B(c1ccc(cc1)CCC)(O)O LS10904 [0,1,0,0,0,0|2,0,1]=4 15 B12R1.113 B(c1ccc(cc1)OCC)(O)O LS10887 [0,1,0,0,0,0|1,0,1]=3 16 B12R1.113 B(c1ccc(cc1)SCC)(O)O LS10890 [0,1,0,0,0,0|1,1,1]=4 17 B12R1.113 B(c1ccc(nc1)OCC)(O)O LS11098 [0,1,0,0,0,0|2,0,1]=4 18 B12R1.113 CCOc1ccc(cn1)[N+](=O)[O-] LS20351 [0,1,0,0,0,0|2,0,0]=3 19 B12R1.113 c1cc(ccc1CCO)[N+](=O)[O-] LS10575 [0,1,0,0,0,0|3,0,0]=4 20 B12R1.288 CCOc1ccc(c(c1)O)C=O LS10684 [0,1,0,0,0,0|0,0,0]=1 21 B12R2.44 c1cc2c(cc1C#N)OCO2 LS40634 [0,0,0,1,0,0|2,0,1]=4 22 B12R2.44 c1cc2c(cc1CN)OCO2 LS40613 [0,0,0,1,0,0|2,0,1]=4 23 B12R2.44 c1cc2c(cco2)cc1C=O LS40181 [0,0,0,1,0,0|0,0,2]=3 24 B9R1.1 C=Cc1ccc(cc1)Br LS11650 [2,0,0,0,0,0|2,0,0]=4 25 B9R1.1 C=Cc1ccc(cc1)Cl LS11649 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.1 CCc1ccc(cc1)F LS11765 [2,0,0,0,0,0|1,0,0]=3 27 B9R1.1 CCc1ccc(cn1)Br LS21179 [2,0,0,0,0,0|2,0,0]=4 28 B9R1.1 COc1ccc(cc1)O LS10474 [2,0,0,0,0,0|0,0,1]=3 29 B9R1.1 COc1ccc(cc1)S LS11831 [2,0,0,0,0,0|0,1,0]=3 30 B9R1.1 COc1ccc(cn1)Br LS21039 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.1 COc1ccc(cn1)F LS20238 [2,0,0,0,0,0|2,0,0]=4 32 B9R1.1 COc1ccc(cn1)N LS20615 [2,0,0,0,0,0|2,0,0]=4 33 B9R1.1 COc1ccc(nc1)Cl LS20524 [2,0,0,0,0,0|2,0,0]=4 34 B9R1.1 Cc1ccc(cc1)C#C LS10578 [2,0,0,0,0,0|1,0,1]=4 35 B9R1.1 Cc1ccc(cc1)CBr LS11264 [2,0,0,0,0,0|1,0,1]=4 36 B9R1.1 Cc1ccc(cc1)CN LS11220 [2,0,0,0,0,0|1,0,1]=4 37 B9R1.1 Cc1ccc(cc1)CO LS11273 [2,0,0,0,0,0|0,0,2]=4 38 B9R1.1 Cc1ccc(nc1)OC LS20323 [2,0,0,0,0,0|1,0,1]=4 39 B9R1.1 c1cc(ccc1C=O)Cl LS10198 [2,0,0,0,0,0|1,0,0]=3 40 B9R1.1 c1cc(ccc1CBr)Br LS11427 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.1 c1cc(ccc1CBr)F LS10228 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.1 c1cc(ccc1CBr)I LS11269 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.1 c1cc(ccc1CCl)Cl LS11418 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.1 c1cc(ccc1CO)I LS11275 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.1 c1cc(ccc1CO)N LS10779 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.1 c1cc(ncc1Br)C=O LS20518 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.1 c1cc(ncc1C=O)Br LS20544 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.1 c1cc(ncc1C=O)Cl LS20242 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.1 c1cc(ncc1Cl)C=O LS20775 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.8 CNNc1ccccc1 LS10173 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.8 c1ccc(cc1)CCN LS10634 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.8 c1ccc(cc1)CCN LS10635 [2,0,0,0,0,0|2,0,0]=4 53 B11R1.1 CCCCc1ccc(cc1)Br LS11195 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.1 CNCCc1ccc(cc1)O LS10122 [1,1,0,0,0,0|1,0,1]=4 55 B11R1.1 c1cc(ccc1OCCBr)Cl LS10083 [1,1,0,0,0,0|1,0,0]=3 56 B11R1.20 CC(=O)Oc1ccc(cc1)F LS10377 [1,1,0,0,0,0|1,0,1]=4 57 B11R1.81 CCOc1ccc(cc1N)N LS11503 [1,1,0,0,0,0|1,0,0]=3 58 B11R1.192 CCOc1ccc(c(c1)Cl)Br LS11311 [1,1,0,0,0,0|1,0,0]=3 59 B11R1.3 B(c1ccc(cc1)C=O)(O)O LS00096 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.3 B(c1ccc(cc1)CC)(O)O LS10888 [1,1,0,0,0,0|1,0,1]=4 61 B11R1.3 B(c1ccc(cc1)OC)(O)O LS10897 [1,1,0,0,0,0|1,0,1]=4 62 B11R1.3 CC(=C)c1ccc(cc1)OC LS10061 [1,1,0,0,0,0|1,0,0]=3 63 B11R1.3 CC(=O)c1ccc(nc1)OC LS20033 [1,1,0,0,0,0|1,0,0]=3 64 B11R1.3 CN(C)c1ccc(cc1)C=O LS10650 [1,1,0,0,0,0|1,0,0]=3 65 B11R1.3 CN(C)c1ccc(cc1)OC LS10085 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] LS11522 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.3 COc1ccc(cc1)C(=O)O LS11457 [1,1,0,0,0,0|0,0,0]=2 68 B11R1.3 COc1ccc(cn1)[N+](=O)[O-] LS20663 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.3 C[C@@H](c1ccc(cc1)OC)N LS30183 [1,1,0,0,0,0|1,0,1]=4 70 B11R1.3 C[C@H](c1ccc(cc1)OC)N LS30182 [1,1,0,0,0,0|1,0,1]=4 71 B11R1.3 c1cc(ccc1C=O)C(=O)O LS10649 [1,1,0,0,0,0|1,0,1]=4 72 B11R1.3 c1cc(ccc1CCl)C(=O)O LS11536 [1,1,0,0,0,0|1,0,0]=3 73 B11R1.3 c1cc(ccc1CO)[N+](=O)[O-] LS10721 [1,1,0,0,0,0|2,0,0]=4 74 B11R1.279 COc1ccc(c(c1)F)C=O LS10504 [1,1,0,0,0,0|0,0,0]=2 75 B11R1.279 COc1ccc(c(c1)F)C=O LS11583 [1,1,0,0,0,0|0,0,0]=2 76 B11R1.279 COc1ccc(c(c1)F)NN LS10185 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.279 COc1ccc(c(c1)F)OC LS10379 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.279 COc1ccc(cc1Cl)CN LS10670 [1,1,0,0,0,0|1,0,1]=4 79 B11R1.279 COc1ccc(cc1O)C#N LS11706 [1,1,0,0,0,0|1,0,1]=4 80 B11R1.279 COc1ccc(cc1O)C=O LS10550 [1,1,0,0,0,0|0,0,0]=2 81 B11R1.279 c1cc(c(cc1C#N)O)C=O LS10079 [1,1,0,0,0,0|1,0,1]=4 82 B13R1.585 B(c1ccc(cc1)OC(C)C)(O)O LS10903 [0,2,0,0,0,0|1,0,1]=4 83 B13R1.385 B(c1ccc(cc1C)OCC)(O)O LS11035 [0,2,0,0,0,0|1,0,1]=4 84 B13R1.385 B(c1ccc(cc1Cl)OCC)(O)O LS11312 [0,2,0,0,0,0|1,0,1]=4 85 B11R2.36 c1cc2c(cc1Br)CCN2 LS20952 [1,0,0,1,0,0|2,0,0]=4 86 B11R2.36 c1cc2c(cc1Br)CCO2 LS40182 [1,0,0,1,0,0|1,0,0]=3 87 B11R2.36 c1cc2c(cc1Cl)CCN2 LS20157 [1,0,0,1,0,0|2,0,0]=4 88 B11R2.36 c1cc2c(cc1N)CCO2 LS40069 [1,0,0,1,0,0|1,0,0]=3 89 B13R2.57 c1cc2c(cc1C=O)OCCO2 LS00032 [0,1,0,1,0,0|0,0,0]=2 90 B13R2.430 B(c1ccc2c(c1)CCO2)(O)O LS11322 [0,1,0,1,0,0|1,0,1]=4