0 B12R1.252 CC(=O)OCCc1ccccc1 AS02439 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.252 c1ccc(cc1)COCC(=O)O AS06202 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.28 CCCCOc1ccccc1 AS01104 [1,0,0,0,0,0|2,0,1]=4 3 B11R1.28 c1ccc(cc1)CCN=C=O AS04375 [1,0,0,0,0,0|1,0,1]=3 4 B11R1.28 c1ccc(cc1)CNCC#N AS06325 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.28 c1ccc(cc1)OCCCBr AS03455 [1,0,0,0,0,0|2,0,1]=4 6 B13R2.72 c1ccc2c(c1)c(c[nH]2)C(=O)O AS06042 [0,0,0,1,0,0|1,0,2]=4 7 B13R2.72 c1ccc2c(c1)c(cs2)C(=O)O AS06612 [0,0,0,1,0,0|1,0,2]=4 8 B11R1.91 CC(=O)COc1ccccc1 AS05273 [0,0,0,0,1,0|2,0,0]=3 9 B11R1.91 CC(=O)OCc1ccccc1 AS01460 [0,0,0,0,1,0|2,0,0]=3 10 B11R1.91 c1ccc(cc1)C=CC(=O)O AS07055 [0,0,0,0,1,0|0,0,2]=3 11 B10R1.17 CCCOc1ccccc1 AS01111 [2,0,0,0,0,0|1,0,1]=4 12 B10R1.17 c1ccc(cc1)C#CC=O AS06906 [2,0,0,0,0,0|0,0,2]=4 13 B10R1.17 c1ccc(cc1)CCCBr AS03468 [2,0,0,0,0,0|1,0,0]=3 14 B10R1.17 c1ccc(cc1)NCCO AS00460 [2,0,0,0,0,0|1,0,0]=3 15 B10R1.17 c1ccc(cc1)OCCBr AS03452 [2,0,0,0,0,0|2,0,0]=4 16 B12R1.1 CCCCCc1ccc(cc1)Br AS00629 [1,1,0,0,0,0|1,0,1]=4 17 B12R1.8 CCCCCOc1ccccc1 AS01110 [1,1,0,0,0,0|1,0,1]=4 18 B12R1.8 c1ccc(cc1)COCCC=O AS05243 [1,1,0,0,0,0|0,0,0]=2 19 B12R1.8 c1ccc(cc1)COCCCO AS03951 [1,1,0,0,0,0|0,0,1]=3 20 B12R1.8 c1ccc(cc1)OCCCCBr AS03450 [1,1,0,0,0,0|1,0,1]=4 21 B12R1.8 c1ccc(cc1)OCCCCI AS02285 [1,1,0,0,0,0|1,0,1]=4 22 B12R1.21 c1cc(ccc1C=CC(=O)O)Br AS03178 [0,1,0,0,1,0|0,0,2]=4 23 B12R1.21 c1cc(ccc1C=CC(=O)O)Cl AS02692 [0,1,0,0,1,0|0,0,2]=4 24 B12R1.21 c1cc(ccc1C=CC(=O)O)F AS01284 [0,1,0,0,1,0|0,0,2]=4 25 B12R1.21 c1cc(ccc1C=CC(=O)O)I AS02228 [0,1,0,0,1,0|0,0,2]=4 26 B12R1.21 c1cc(ccc1C=CC(=O)O)O AS03322 [0,1,0,0,1,0|0,0,2]=4 27 B12R1.21 c1cc(ccc1CCC(=O)O)F AS04666 [0,1,0,0,1,0|0,0,0]=2 28 B12R1.21 c1cc(ccc1CCC(=O)O)O AS02950 [0,1,0,0,1,0|0,0,0]=2 29 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N AS06772 [0,1,0,0,1,0|0,0,0]=2 30 B12R1.125 Cc1ccccc1C=CC(=O)O AS00517 [0,1,0,0,1,0|0,0,2]=4 31 B12R1.125 Cc1ccccc1CCC(=O)O AS00516 [0,1,0,0,1,0|0,0,0]=2 32 B12R1.125 c1ccc(c(c1)C=CC(=O)O)Br AS03176 [0,1,0,0,1,0|0,0,2]=4 33 B12R1.125 c1ccc(c(c1)C=CC(=O)O)Cl AS02690 [0,1,0,0,1,0|0,0,2]=4 34 B12R1.125 c1ccc(c(c1)C=CC(=O)O)F AS01282 [0,1,0,0,1,0|0,0,2]=4 35 B12R1.125 c1ccc(c(c1)C=CC(=O)O)I AS02226 [0,1,0,0,1,0|0,0,2]=4 36 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br AS06127 [0,1,0,0,1,0|0,0,0]=2 37 B12R1.125 c1ccc(c(c1)CCC(=O)O)F AS02202 [0,1,0,0,1,0|0,0,0]=2 38 B12R1.125 c1ccc(c(c1)CCC(=O)O)I AS07158 [0,1,0,0,1,0|0,0,0]=2 39 B12R1.125 c1ccc(c(c1)NCC(=O)O)F AS06740 [0,1,0,0,1,0|1,0,0]=3 40 B12R1.226 c1cc(cc(c1)Br)C=CC(=O)O AS03177 [0,1,0,0,1,0|0,0,2]=4 41 B12R1.226 c1cc(cc(c1)Cl)C=CC(=O)O AS02691 [0,1,0,0,1,0|0,0,2]=4 42 B12R1.226 c1cc(cc(c1)F)C=CC(=O)O AS01283 [0,1,0,0,1,0|0,0,2]=4 43 B12R1.226 c1cc(cc(c1)F)C=CC(=O)O AS01921 [0,1,0,0,1,0|0,0,2]=4 44 B12R1.226 c1cc(cc(c1)I)C=CC(=O)O AS02227 [0,1,0,0,1,0|0,0,2]=4 45 B14R1.420 CC(=O)CCOC(=O)c1ccccc1 AS07031 [0,1,0,0,0,1|1,0,1]=4 46 B14R1.818 CC(=O)CC(=O)NCc1ccccc1 AS07045 [0,1,0,0,0,1|1,0,1]=4 47 B14R1.678 c1cc(ccc1C(=O)CCC(=O)O)Cl AS02686 [0,2,0,0,0,0|0,0,1]=3 48 B14R1.678 c1cc(ccc1C(=O)CCC(=O)O)F AS01281 [0,2,0,0,0,0|0,0,1]=3 49 B14R1.425 c1ccc(cc1)C[C@H]([C@@H](C(=O)O)O)N AS06798 [0,2,0,0,0,0|0,0,0]=2 50 B14R1.4 COc1ccc(cc1)CCCC(=O)N AS07224 [0,2,0,0,0,0|1,0,0]=3 51 B12R2.2 c1ccc(cc1)[C@H]2CCNC2 AS06821 [1,0,0,1,0,0|2,0,0]=4 52 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 AS06210 [1,0,0,1,0,0|1,0,0]=3 53 B14R2.19 c1ccc(cc1)CN2CCC(C2)O AS06595 [0,0,0,1,0,1|1,0,1]=4 54 B14R2.19 c1ccc(cc1)CN2CC[C@@H](C2)O AS06666 [0,0,0,1,0,1|1,0,1]=4 55 B14R2.19 c1ccc(cc1)CN2CC[C@H](C2)O AS06596 [0,0,0,1,0,1|1,0,1]=4 56 B14R2.19 c1ccc(cc1)C[C@@H]2CSC(=O)N2 AS06626 [0,0,0,1,0,1|1,0,0]=3 57 B14R2.19 c1ccc(cc1)C[C@@H]2CSC(=S)N2 AS06653 [0,0,0,1,0,1|1,1,0]=4 58 B14R2.768 c1ccc2c(c1)cc([nH]2)CC(=O)O AS07223 [0,1,0,1,0,0|0,0,2]=4 59 B14R2.781 c1ccc2c(c1)OC[C@@H](O2)C(=O)O AS06640 [0,1,0,1,0,0|1,0,0]=3 60 B14R2.380 c1cc2c(cc1N)NC(=O)CCC2 AS06599 [0,1,0,1,0,0|1,0,0]=3 61 B10R1.18 CC(Cc1ccccc1)O AS07220 [0,0,0,0,2,0|1,0,1]=4 62 B10R1.18 c1ccc(cc1)OC(=O)Cl AS01233 [0,0,0,0,2,0|2,0,0]=4