0 B10R1.1 Cc1ccc(cc1)CCN LS11229 [1,0,0,0,0,0|1,0,1]=3 1 B10R1.1 Cc1ccc(cc1)CCO LS11239 [1,0,0,0,0,0|1,0,1]=3 2 B10R1.1 c1cc(ccc1CC#N)Cl LS11213 [1,0,0,0,0,0|2,0,1]=4 3 B10R1.1 c1cc(ccc1CCN)Br LS11228 [1,0,0,0,0,0|2,0,1]=4 4 B10R1.1 c1cc(ccc1CCN)Cl LS11230 [1,0,0,0,0,0|2,0,1]=4 5 B10R1.1 c1cc(ccc1CCN)N LS10602 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.1 c1cc(ccc1CCN)O LS11714 [1,0,0,0,0,0|1,0,1]=3 7 B10R1.1 c1cc(ccc1CCO)Br LS11249 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.1 c1cc(ccc1CCO)Cl LS11400 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.1 c1cc(ccc1CCO)F LS11241 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.3 c1cc(ccc1CCl)C#N LS11851 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.3 c1cc(ccc1CCl)CCl LS11854 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.4 CCc1ccc(cc1)CC(=O)C LS10066 [0,1,0,0,0,0|1,0,1]=3 13 B12R1.4 COc1ccc(cc1)CC(=O)O LS11415 [0,1,0,0,0,0|1,0,0]=2 14 B12R1.4 c1cc(ccc1CC(=O)O)CBr LS11535 [0,1,0,0,0,0|3,0,0]=4 15 B12R1.5 COc1ccc(cc1)C(=O)CBr LS11455 [0,1,0,0,0,0|1,0,2]=4 16 B12R1.114 COc1ccc(c(c1)Cl)CC#N LS10184 [0,1,0,0,0,0|1,0,1]=3 17 B12R1.288 COc1ccc(cc1O)CCN LS10775 [0,1,0,0,0,0|1,0,1]=3 18 B12R2.44 CCc1ccc2c(c1)cc[nH]2 LS20080 [0,0,0,1,0,0|2,0,0]=3 19 B12R2.44 COc1ccc2c(c1)NCC2 LS20156 [0,0,0,1,0,0|1,0,1]=3 20 B12R2.44 COc1ccc2c(c1)cc[nH]2 LS20135 [0,0,0,1,0,0|1,0,0]=2 21 B12R2.44 COc1ccc2cc[nH]c2c1 LS20429 [0,0,0,1,0,0|1,0,1]=3 22 B12R2.44 c1cc2c(cco2)cc1C=O LS40181 [0,0,0,1,0,0|3,0,0]=4 23 B9R1.1 C=Cc1ccc(cc1)Br LS11650 [2,0,0,0,0,0|1,0,0]=3 24 B9R1.1 C=Cc1ccc(cc1)Cl LS11649 [2,0,0,0,0,0|1,0,0]=3 25 B9R1.1 CCc1ccc(cc1)F LS11765 [2,0,0,0,0,0|1,0,1]=4 26 B9R1.1 COc1ccc(cc1)O LS10474 [2,0,0,0,0,0|1,0,0]=3 27 B9R1.1 COc1ccc(cc1)S LS11831 [2,0,0,0,0,0|1,0,0]=3 28 B9R1.1 COc1ccc(cn1)Br LS21039 [2,0,0,0,0,0|2,0,0]=4 29 B9R1.1 COc1ccc(cn1)F LS20238 [2,0,0,0,0,0|2,0,0]=4 30 B9R1.1 COc1ccc(cn1)N LS20615 [2,0,0,0,0,0|2,0,0]=4 31 B9R1.1 COc1ccc(nc1)Cl LS20524 [2,0,0,0,0,0|2,0,0]=4 32 B9R1.1 Cc1ccc(cc1)C#C LS10578 [2,0,0,0,0,0|0,0,2]=4 33 B9R1.1 Cc1ccc(cc1)CBr LS11264 [2,0,0,0,0,0|1,0,0]=3 34 B9R1.1 Cc1ccc(cc1)CN LS11220 [2,0,0,0,0,0|1,0,0]=3 35 B9R1.1 Cc1ccc(cc1)CO LS11273 [2,0,0,0,0,0|1,0,0]=3 36 B9R1.1 Cc1ccc(nc1)OC LS20323 [2,0,0,0,0,0|1,0,0]=3 37 B9R1.1 c1cc(ccc1C=O)Cl LS10198 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.1 c1cc(ccc1CBr)Br LS11427 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.1 c1cc(ccc1CBr)F LS10228 [2,0,0,0,0,0|2,0,0]=4 40 B9R1.1 c1cc(ccc1CBr)I LS11269 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.1 c1cc(ccc1CCl)Cl LS11418 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.1 c1cc(ccc1CO)I LS11275 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.1 c1cc(ccc1CO)N LS10779 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.8 c1cc(cnc1)CC=O LS21221 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.8 c1ccc(cc1)CCN LS10634 [2,0,0,0,0,0|1,0,1]=4 46 B9R1.8 c1ccc(cc1)CCN LS10635 [2,0,0,0,0,0|1,0,1]=4 47 B9R1.8 c1ccc(cc1)CNO LS11836 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.8 c1ccc(cc1)CNO LS40338 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.8 c1ccc(cc1)CON LS40003 [2,0,0,0,0,0|2,0,0]=4 50 B11R1.1 CNCCc1ccc(cc1)O LS10122 [1,1,0,0,0,0|0,0,2]=4 51 B11R1.20 CC(=O)Cc1ccc(cc1)Br LS11255 [1,1,0,0,0,0|1,0,1]=4 52 B11R1.20 CC(=O)Cc1ccc(cc1)Cl LS11258 [1,1,0,0,0,0|1,0,1]=4 53 B11R1.20 CC(=O)Cc1ccc(cc1)F LS11260 [1,1,0,0,0,0|1,0,1]=4 54 B11R1.20 Cc1ccc(cc1)CC(=O)C LS11261 [1,1,0,0,0,0|0,0,1]=3 55 B11R1.20 Cc1ccc(cc1)NC(=O)C LS11875 [1,1,0,0,0,0|1,0,1]=4 56 B11R1.20 c1cc(ccc1CC(=O)N)O LS11370 [1,1,0,0,0,0|1,0,0]=3 57 B11R1.20 c1cc(ccc1CC(=O)O)Br LS10304 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.20 c1cc(ccc1CC(=O)O)O LS10592 [1,1,0,0,0,0|1,0,0]=3 59 B11R1.22 c1cc(ccc1C(CN)O)O LS41256 [1,1,0,0,0,0|1,0,1]=4 60 B11R1.3 B(c1ccc(cc1)OC)(O)O LS10897 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.3 CC(=C)c1ccc(cc1)OC LS10061 [1,1,0,0,0,0|0,0,0]=2 62 B11R1.3 CC(=O)c1ccc(nc1)OC LS20033 [1,1,0,0,0,0|1,0,1]=4 63 B11R1.3 CN(C)c1ccc(cc1)C=O LS10650 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.3 CN(C)c1ccc(cc1)OC LS10085 [1,1,0,0,0,0|1,0,1]=4 65 B11R1.3 COc1ccc(cc1)C(=O)O LS11457 [1,1,0,0,0,0|1,0,0]=3 66 B11R1.3 C[C@@H](c1ccc(cc1)OC)N LS30183 [1,1,0,0,0,0|0,0,1]=3 67 B11R1.3 C[C@H](c1ccc(cc1)OC)N LS30182 [1,1,0,0,0,0|0,0,1]=3 68 B11R1.279 COc1ccc(c(c1)F)C=O LS10504 [1,1,0,0,0,0|1,0,0]=3 69 B11R1.279 COc1ccc(c(c1)F)C=O LS11583 [1,1,0,0,0,0|1,0,0]=3 70 B11R1.279 COc1ccc(c(c1)F)NN LS10185 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.279 COc1ccc(c(c1)F)OC LS10379 [1,1,0,0,0,0|1,0,1]=4 72 B11R1.279 COc1ccc(cc1Cl)CN LS10670 [1,1,0,0,0,0|1,0,0]=3 73 B11R1.279 COc1ccc(cc1O)C#N LS11706 [1,1,0,0,0,0|1,0,1]=4 74 B11R1.279 COc1ccc(cc1O)C=O LS10550 [1,1,0,0,0,0|1,0,0]=3 75 B13R1.36 COc1ccc(cc1)C(C(=O)O)O LS11566 [0,2,0,0,0,0|1,0,0]=3 76 B13R1.653 COc1ccc(c(c1)Cl)CC(=O)O LS10685 [0,2,0,0,0,0|1,0,0]=3 77 B13R1.3 COc1ccc(cc1)\C=C\C(=O)O LS11390 [0,2,0,0,0,0|0,0,1]=3 78 B13R1.74 CN(C)c1ccc(cc1)\C=C\C=O LS00015 [0,2,0,0,0,0|1,0,1]=4 79 B13R1.386 COc1ccc(cc1OC)CC#N LS10059 [0,2,0,0,0,0|1,0,1]=4 80 B11R2.36 Cc1ccc2c(c1)cn[nH]2 LS20968 [1,0,0,1,0,0|2,0,0]=4 81 B11R2.36 c1cc(cc2c1cc[nH]2)O LS20137 [1,0,0,1,0,0|1,0,1]=4 82 B11R2.36 c1cc(cc2c1ccs2)O LS21200 [1,0,0,1,0,0|1,0,1]=4 83 B11R2.36 c1cc2c(cc1O)cn[nH]2 LS20975 [1,0,0,1,0,0|2,0,0]=4 84 B13R2.2121 COc1ccc2c(c1)NC(=O)C2 LS40246 [0,1,0,1,0,0|1,0,0]=3 85 B13R2.2121 COc1ccc2c(c1)sc(n2)Br LS40639 [0,1,0,1,0,0|2,0,0]=4 86 B13R2.2121 Cc1cc2cc(ccc2[nH]1)OC LS00081 [0,1,0,1,0,0|1,0,0]=3