0 B12R1.252 C[C@@H](COCc1ccccc1)O LS30228 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.252 C[C@H](COCc1ccccc1)O LS30229 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.252 c1ccc(cc1)CCCC(=O)O LS10686 [0,0,0,0,0,0|0,0,0]=0 3 B12R1.252 c1ccc(cc1)CNCC(=O)O LS40466 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.252 c1ccc(cc1)COCC(=O)O LS10747 [0,0,0,0,0,0|1,0,0]=1 5 B11R1.28 c1ccc(cc1)CCCCO LS10545 [1,0,0,0,0,0|0,0,1]=2 6 B11R1.28 c1ccc(cc1)COCCO LS10494 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.28 c1cnccc1CCCCCl LS21209 [1,0,0,0,0,0|2,0,1]=4 8 B13R2.72 c1ccc2c(c1)C(CN2)C(=O)O LS20140 [0,0,0,1,0,0|1,0,0]=2 9 B13R2.163 c1ccc2c(c1)CCCC(=O)N2 LS40147 [0,0,0,1,0,0|1,0,0]=2 10 B13R2.2382 c1ccc(cc1)COCC2CO2 LS40021 [0,0,0,1,0,0|2,0,1]=4 11 B13R2.2382 c1ccc(cc1)COC[C@@H]2CO2 LS30051 [0,0,0,1,0,0|2,0,1]=4 12 B13R2.2382 c1ccc(cc1)COC[C@H]2CO2 LS30050 [0,0,0,1,0,0|2,0,1]=4 13 B11R1.91 B(CCc1ccccc1)(O)O LS10785 [0,0,0,0,1,0|1,0,1]=3 14 B11R1.91 CC(=O)CCc1ccccc1 LS10597 [0,0,0,0,1,0|1,0,0]=2 15 B11R1.91 CC(CCc1ccccc1)N LS10632 [0,0,0,0,1,0|2,0,1]=4 16 B11R1.91 c1cc(cnc1)\C=C\C(=O)O LS20492 [0,0,0,0,1,0|1,0,2]=4 17 B11R1.91 c1ccc(cc1)COC(=O)N LS40379 [0,0,0,0,1,0|2,0,0]=3 18 B11R1.91 c1ccc(cc1)CSC(=N)N LS11866 [0,0,0,0,1,0|3,0,0]=4 19 B11R1.91 c1ccc(cc1)\C=C\C(=O)O LS00072 [0,0,0,0,1,0|0,0,2]=3 20 B10R1.17 c1ccc(cc1)C#CC=O LS11729 [2,0,0,0,0,0|0,0,2]=4 21 B10R1.17 c1ccc(cc1)NCCN LS10740 [2,0,0,0,0,0|2,0,0]=4 22 B12R1.8 c1ccc(cc1)COCCCBr LS10750 [1,1,0,0,0,0|1,0,1]=4 23 B12R1.8 c1ccc(cc1)COCCCO LS10749 [1,1,0,0,0,0|0,0,1]=3 24 B12R1.21 CC(=O)CCc1ccc(cc1)O LS40102 [0,1,0,0,1,0|1,0,0]=3 25 B12R1.21 c1cc(ccc1\C=C\C(=O)O)O LS30305 [0,1,0,0,1,0|0,0,2]=4 26 B12R1.43 CC(C(=O)O)Nc1ccccc1 LS10086 [0,1,0,0,1,0|1,0,0]=3 27 B12R1.107 c1ccc(cc1)C(CC(=O)O)N LS11551 [0,1,0,0,1,0|0,0,0]=2 28 B12R1.107 c1ccc(cc1)C(CC(=O)O)O LS11565 [0,1,0,0,1,0|0,0,0]=2 29 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N LS30112 [0,1,0,0,1,0|0,0,0]=2 30 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)N LS30295 [0,1,0,0,1,0|0,0,0]=2 31 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)N LS30296 [0,1,0,0,1,0|0,0,0]=2 32 B14R1.420 c1ccc(cc1)C(=O)CCCC(=O)O LS10601 [0,1,0,0,0,1|0,0,0]=2 33 B14R1.813 c1ccc(cc1)P(=O)(CCC(=O)O)O LS10140 [0,2,0,0,0,0|1,0,0]=3 34 B14R1.743 COC(=O)CC(Cc1ccccc1)N LS10603 [0,2,0,0,0,0|0,0,0]=2 35 B14R1.4 COc1ccc(cc1)CCCC(=O)O LS10123 [0,2,0,0,0,0|0,0,0]=2 36 B14R1.520 CCOC(=O)CNCc1ccccc1 LS40795 [0,2,0,0,0,0|1,0,0]=3 37 B14R1.520 CCOC(=O)COCc1ccccc1 LS10748 [0,2,0,0,0,0|1,0,0]=3 38 B12R2.2 c1ccc(cc1)[C@H]2CCNC2 LS30147 [1,0,0,1,0,0|2,0,0]=4 39 B12R2.1081 c1cc2c(nc1)C(=O)CCC2 LS40612 [1,0,0,1,0,0|1,0,0]=3 40 B12R2.1081 c1cc2c(nc1)C(CCC2)O LS40150 [1,0,0,1,0,0|1,0,1]=4 41 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N LS30071 [1,0,0,1,0,0|1,0,1]=4 42 B12R2.2057 c1ccc(cc1)OC[C@@H]2CO2 LS30254 [1,0,0,1,0,0|1,0,1]=4 43 B12R2.2057 c1ccc(cc1)OC[C@H]2CO2 LS00142 [1,0,0,1,0,0|1,0,1]=4 44 B12R2.24 c1ccc2c(c1)CCC(=O)C2 LS41173 [0,0,0,1,1,0|1,0,0]=3 45 B12R2.24 c1ccc2c(c1)NC(=O)CO2 LS40207 [0,0,0,1,1,0|2,0,0]=4 46 B14R2.2 c1ccc2c(c1)c(no2)CC(=O)O LS41523 [0,0,0,1,0,1|1,0,1]=4 47 B14R2.19 c1ccc(cc1)CN2CCC(=O)C2 LS40626 [0,0,0,1,0,1|1,0,0]=3 48 B14R2.19 c1ccc(cc1)C[C@@H]2COC(=O)N2 LS30287 [0,0,0,1,0,1|1,0,0]=3 49 B14R2.19 c1ccc(cc1)C[C@H]2COC(=O)N2 LS30092 [0,0,0,1,0,1|1,0,0]=3 50 B14R2.436 c1ccc(cc1)COC2CC(=O)C2 LS40395 [0,0,0,1,0,1|1,0,0]=3 51 B10R1.18 B(Cc1ccccc1)(O)O LS10783 [0,0,0,0,2,0|1,0,1]=4 52 B10R1.18 CC(=O)Cc1ccncc1 LS00130 [0,0,0,0,2,0|2,0,0]=4 53 B10R1.18 c1ccc(cc1)CC(=O)N LS11701 [0,0,0,0,2,0|1,0,0]=3