0 B11R1.3 B(c1ccc(cc1)C=O)(O)O LS00096 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.3 CC(=C)c1ccc(cc1)OC LS10061 [0,0,0,0,0,0|2,0,2]=4 2 B11R1.3 CN(C)c1ccc(cc1)C=O LS10650 [0,0,0,0,0,0|1,0,0]=1 3 B11R1.3 CN(C)c1ccc(cc1)OC LS10085 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.3 C[C@@H](c1ccc(cc1)OC)N LS30183 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.3 C[C@H](c1ccc(cc1)OC)N LS30182 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.3 c1cc(ccc1C=O)C(=O)O LS10649 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.3 c1cc(ccc1CCl)C#N LS11851 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.3 c1cc(ccc1CCl)CCl LS11854 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.13 CC(=O)c1ccc(cc1)Br LS11874 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.13 CC(=O)c1ccc(cc1)F LS11575 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.13 CC(=O)c1ccc(cc1)N LS10360 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.13 CC(=O)c1ccc(cc1)O LS10359 [1,0,0,0,0,0|1,0,2]=4 13 B10R1.13 CN(C)c1ccc(cc1)Br LS10693 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.13 CN(C)c1ccc(cc1)Cl LS10239 [1,0,0,0,0,0|2,0,0]=3 15 B12R1.6 CC(C)(c1ccc(cc1)OC)O LS10171 [0,1,0,0,0,0|2,0,0]=3 16 B12R1.6 c1cc(ncc1C=O)C(F)(F)F LS20057 [0,1,0,0,0,0|3,0,0]=4 17 B12R1.48 B(c1ccc(c(c1)F)C=O)(O)O LS11012 [0,1,0,0,0,0|3,0,0]=4 18 B12R1.256 B(c1ccc(cc1)C(=O)C)(O)O LS10863 [0,1,0,0,0,0|3,0,0]=4 19 B12R1.256 B(c1ccc(cc1)C(=O)Cl)(O)O LS10880 [0,1,0,0,0,0|3,0,0]=4 20 B12R1.256 B(c1ccc(cc1)C(=O)N)(O)O LS10913 [0,1,0,0,0,0|3,0,0]=4 21 B12R1.256 B(c1ccc(cc1)C(=O)O)(O)O LS10877 [0,1,0,0,0,0|3,0,0]=4 22 B12R1.256 B(c1ccc(cc1)C(C)C)(O)O LS10905 [0,1,0,0,0,0|1,0,1]=3 23 B12R1.256 B(c1ccc(cc1)N(C)C)(O)O LS10883 [0,1,0,0,0,0|2,0,1]=4 24 B12R1.256 c1cc(ccc1C(=O)N)[N+](=O)[O-] LS10641 [0,1,0,0,0,0|3,0,0]=4 25 B12R1.256 c1cc(ccc1C(=O)O)[N+](=O)[O-] LS10118 [0,1,0,0,0,0|3,0,0]=4 26 B12R1.452 CN(C)c1ccc(cc1Cl)[N+]#N LS40442 [0,1,0,0,0,0|3,0,0]=4 27 B12R1.4 CC(=O)Oc1ccc(cc1)C=C LS00144 [0,0,0,0,0,1|2,0,1]=4 28 B9R1.1 C=Cc1ccc(cc1)Br LS11650 [2,0,0,0,0,0|2,0,0]=4 29 B9R1.1 C=Cc1ccc(cc1)Cl LS11649 [2,0,0,0,0,0|2,0,0]=4 30 B9R1.1 CCc1ccc(cc1)F LS11765 [2,0,0,0,0,0|1,0,0]=3 31 B9R1.1 CCc1ccc(cn1)Br LS21179 [2,0,0,0,0,0|2,0,0]=4 32 B9R1.1 COc1ccc(cc1)O LS10474 [2,0,0,0,0,0|1,0,1]=4 33 B9R1.1 COc1ccc(cc1)S LS11831 [2,0,0,0,0,0|1,1,0]=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 c1cc(ccc1C=O)Cl LS10198 [2,0,0,0,0,0|1,0,0]=3 39 B9R1.1 c1cc(ccc1CBr)Br LS11427 [2,0,0,0,0,0|2,0,0]=4 40 B9R1.1 c1cc(ccc1CBr)F LS10228 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.1 c1cc(ccc1CBr)I LS11269 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.1 c1cc(ccc1CCl)Cl LS11418 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.1 c1cc(ccc1CO)I LS11275 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.1 c1cc(ccc1CO)N LS10779 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.1 c1cc(ncc1Br)C=O LS20518 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.1 c1cc(ncc1C=O)Br LS20544 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.1 c1cc(ncc1C=O)Cl LS20242 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.1 c1cc(ncc1Cl)C=O LS20775 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.6 C[C@@H](c1ccccc1)N LS30171 [2,0,0,0,0,0|1,0,0]=3 50 B9R1.6 C[C@H](c1ccccc1)N LS30099 [2,0,0,0,0,0|1,0,0]=3 51 B11R1.279 COc1ccc(c(c1)F)C=O LS10504 [1,1,0,0,0,0|1,0,0]=3 52 B11R1.279 COc1ccc(c(c1)F)C=O LS11583 [1,1,0,0,0,0|1,0,0]=3 53 B11R1.279 COc1ccc(cc1O)C=O LS10550 [1,1,0,0,0,0|1,0,0]=3 54 B11R1.279 c1cc(c(cc1C#N)O)C=O LS10079 [1,1,0,0,0,0|1,0,1]=4 55 B11R1.19 CC(C)(C)c1ccc(cc1)Br LS11196 [1,1,0,0,0,0|1,0,0]=3 56 B11R1.19 CC(C)(c1ccc(cc1)Br)O LS11332 [1,1,0,0,0,0|1,0,0]=3 57 B11R1.22 c1cc(ccc1C(CN)O)O LS41256 [1,1,0,0,0,0|1,0,1]=4 58 B11R1.166 CN(C)c1ccc(cc1Cl)Br LS10231 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.166 Cc1cc(ccc1C(C)C)O LS10720 [1,1,0,0,0,0|0,0,1]=3 60 B13R1.585 B(c1ccc(cc1)OC(C)C)(O)O LS10903 [0,1,0,0,0,1|1,0,1]=4 61 B13R1.585 B(c1ccc(cc1)SC(C)C)(O)O LS10906 [0,1,0,0,0,1|1,0,1]=4 62 B13R1.537 C[C@H](c1ccc(cc1)C(=O)OC)N LS30135 [0,2,0,0,0,0|1,0,0]=3 63 B13R1.338 B(c1ccc(cc1)C(C)(C)C)(O)O LS10876 [0,2,0,0,0,0|1,0,1]=4 64 B13R1.338 B(c1ccc(cc1)C(C)(C)O)(O)O LS11333 [0,2,0,0,0,0|1,0,1]=4 65 B13R1.338 CC(=O)c1ccc(cc1)C(F)(F)F LS11186 [0,2,0,0,0,0|2,0,0]=4 66 B13R1.338 c1cc(ccc1C(=O)Cl)C(F)(F)F LS10482 [0,2,0,0,0,0|2,0,0]=4 67 B13R1.338 c1cc(ccc1C(=O)O)C(F)(F)F LS10230 [0,2,0,0,0,0|2,0,0]=4 68 B13R1.338 c1cc(ccc1C(=O)[O-])C(F)(F)F LS11187 [0,2,0,0,0,0|2,0,0]=4 69 B13R1.74 CN(C)c1ccc(cc1)\C=C\C=O LS00015 [0,2,0,0,0,0|1,0,0]=3