0 B12R1.21 CC(=O)CCc1ccc(cc1)O LS40102 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.21 c1cc(ccc1\C=C\C(=O)O)O LS30305 [0,0,0,0,0,0|1,0,2]=3 2 B11R1.1 CCCCc1ccc(cc1)Br LS11195 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.1 CNCCc1ccc(cc1)O LS10122 [1,0,0,0,0,0|2,0,0]=3 4 B11R1.91 B(CCc1ccccc1)(O)O LS10785 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.91 CC(=O)CCc1ccccc1 LS10597 [1,0,0,0,0,0|1,0,0]=2 6 B11R1.91 CC(CCc1ccccc1)N LS10632 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.91 c1ccc(cc1)COC(=O)N LS40379 [1,0,0,0,0,0|1,0,0]=2 8 B11R1.91 c1ccc(cc1)CSC(=N)N LS11866 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.91 c1ccc(cc1)\C=C\C(=O)O LS00072 [1,0,0,0,0,0|1,0,2]=4 10 B13R1.3 COc1ccc(cc1)\C=C\C(=O)O LS11390 [0,1,0,0,0,0|1,0,2]=4 11 B13R1.3 c1cc(ccc1C#N)NCC(=O)O LS40290 [0,1,0,0,0,0|3,0,0]=4 12 B13R1.133 C[C@H](C(=O)O)Oc1ccc(cc1)O LS30251 [0,1,0,0,0,0|2,0,0]=3 13 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)Br LS30159 [0,1,0,0,0,0|2,0,0]=3 14 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)Br LS30158 [0,1,0,0,0,0|2,0,0]=3 15 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)O LS40267 [0,0,0,1,0,0|0,0,2]=3 16 B13R2.155 c1cc(nc2c1OCC(=O)N2)Br LS40781 [0,0,0,1,0,0|3,0,0]=4 17 B11R1.20 CC(=O)Cc1ccc(cc1)Br LS11255 [0,0,0,0,1,0|2,0,0]=3 18 B11R1.20 CC(=O)Cc1ccc(cc1)Cl LS11258 [0,0,0,0,1,0|2,0,0]=3 19 B11R1.20 CC(=O)Cc1ccc(cc1)F LS11260 [0,0,0,0,1,0|2,0,0]=3 20 B11R1.20 CC(=O)Oc1ccc(cc1)F LS10377 [0,0,0,0,1,0|3,0,0]=4 21 B11R1.20 Cc1ccc(cc1)CC(=O)C LS11261 [0,0,0,0,1,0|2,0,0]=3 22 B11R1.20 Cc1ccc(cc1)NC(=O)C LS11875 [0,0,0,0,1,0|3,0,0]=4 23 B11R1.20 c1cc(ccc1CC(=O)N)O LS11370 [0,0,0,0,1,0|0,0,0]=1 24 B11R1.20 c1cc(ccc1CC(=O)O)Br LS10304 [0,0,0,0,1,0|2,0,0]=3 25 B11R1.20 c1cc(ccc1CC(=O)O)O LS10592 [0,0,0,0,1,0|1,0,0]=2 26 B10R1.1 Cc1ccc(cc1)CCN LS11229 [2,0,0,0,0,0|1,0,0]=3 27 B10R1.1 Cc1ccc(cc1)CCO LS11239 [2,0,0,0,0,0|1,0,1]=4 28 B10R1.1 c1cc(ccc1CCN)Br LS11228 [2,0,0,0,0,0|1,0,0]=3 29 B10R1.1 c1cc(ccc1CCN)Cl LS11230 [2,0,0,0,0,0|1,0,0]=3 30 B10R1.1 c1cc(ccc1CCN)N LS10602 [2,0,0,0,0,0|1,0,0]=3 31 B10R1.1 c1cc(ccc1CCN)O LS11714 [2,0,0,0,0,0|0,0,0]=2 32 B10R1.1 c1cc(ccc1CCO)Br LS11249 [2,0,0,0,0,0|1,0,1]=4 33 B10R1.1 c1cc(ccc1CCO)Cl LS11400 [2,0,0,0,0,0|1,0,1]=4 34 B10R1.1 c1cc(ccc1CCO)F LS11241 [2,0,0,0,0,0|1,0,1]=4 35 B10R1.17 c1ccc(cc1)C#CC=O LS11729 [2,0,0,0,0,0|0,0,2]=4 36 B10R1.17 c1ccc(cc1)NCCN LS10740 [2,0,0,0,0,0|1,0,1]=4 37 B12R1.16 CNCC(c1ccc(cc1)O)O LS41251 [1,1,0,0,0,0|2,0,0]=4 38 B12R1.43 CC(C(=O)O)Nc1ccccc1 LS10086 [1,1,0,0,0,0|2,0,0]=4 39 B12R1.107 c1ccc(cc1)C(CC(=O)O)N LS11551 [1,1,0,0,0,0|1,0,0]=3 40 B12R1.107 c1ccc(cc1)C(CC(=O)O)O LS11565 [1,1,0,0,0,0|1,0,0]=3 41 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N LS30112 [1,1,0,0,0,0|1,0,0]=3 42 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)N LS30295 [1,1,0,0,0,0|1,0,0]=3 43 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)N LS30296 [1,1,0,0,0,0|1,0,0]=3 44 B12R1.4 CCc1ccc(cc1)CC(=O)C LS10066 [0,1,0,0,1,0|2,0,0]=4 45 B12R1.4 COc1ccc(cc1)CC(=O)O LS11415 [0,1,0,0,1,0|1,0,0]=3 46 B12R1.4 c1cc(ccc1CC(=O)O)CBr LS11535 [0,1,0,0,1,0|2,0,0]=4 47 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)F LS10301 [0,1,0,0,1,0|2,0,0]=4 48 B12R1.19 c1cc(c(cc1CC(=O)O)F)Cl LS10023 [0,1,0,0,1,0|2,0,0]=4 49 B12R1.233 c1cc(c(cc1Br)F)CC(=O)O LS11529 [0,1,0,0,1,0|2,0,0]=4 50 B14R1.4 COc1ccc(cc1)CCCC(=O)O LS10123 [0,1,0,0,0,1|1,0,0]=3 51 B14R1.1019 c1cc(ccc1[C@@H](CC(=O)O)CN)F LS30154 [0,2,0,0,0,0|2,0,0]=4 52 B14R1.1019 c1cc(ccc1[C@H](CC(=O)O)CN)Cl LS30153 [0,2,0,0,0,0|2,0,0]=4 53 B14R1.1019 c1cc(ccc1[C@H](CC(=O)O)CN)F LS30155 [0,2,0,0,0,0|2,0,0]=4 54 B12R2.606 c1cc(nc2c1CC(=O)N2)Cl LS40092 [0,0,0,1,1,0|2,0,0]=4 55 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 LS40256 [0,0,0,1,1,0|1,0,0]=3 56 B12R2.606 c1cc2c(cc1F)NC(=O)C2 LS21155 [0,0,0,1,1,0|1,0,0]=3 57 B12R2.606 c1cc2c(cc1O)sc(n2)N LS40043 [0,0,0,1,1,0|1,1,0]=4 58 B10R1.18 CC(=O)Cc1ccncc1 LS00130 [1,0,0,0,1,0|2,0,0]=4 59 B10R1.18 c1ccc(cc1)CC(=O)N LS11701 [1,0,0,0,1,0|0,0,0]=2 60 B10R1.13 CC(=O)c1ccc(cc1)Br LS11874 [0,0,0,0,2,0|2,0,0]=4 61 B10R1.13 CC(=O)c1ccc(cc1)F LS11575 [0,0,0,0,2,0|2,0,0]=4 62 B10R1.13 CC(=O)c1ccc(cc1)N LS10360 [0,0,0,0,2,0|2,0,0]=4 63 B10R1.13 CC(=O)c1ccc(cc1)O LS10359 [0,0,0,0,2,0|1,0,0]=3 64 B10R1.13 c1cc(ccc1C(=N)N)Br LS00131 [0,0,0,0,2,0|2,0,0]=4 65 B10R1.13 c1cc(ccc1C(=O)Cl)N LS11728 [0,0,0,0,2,0|2,0,0]=4 66 B10R1.13 c1cc(ccc1C(=O)O)Cl LS10674 [0,0,0,0,2,0|2,0,0]=4 67 B12R1.252 c1ccc(cc1)CCCC(=O)O LS10686 [1,0,0,0,0,1|1,0,0]=3 68 B12R1.252 c1ccc(cc1)CNCC(=O)O LS40466 [1,0,0,0,0,1|1,0,0]=3 69 B12R1.252 c1ccc(cc1)COCC(=O)O LS10747 [1,0,0,0,0,1|1,0,0]=3