0 B12R2.252 c1c[nH]c2c1oc(c2)C(=O)O A2Z00050330 [0,0,0,0,0,0|3,0,0]=3 1 B12R2.252 c1c[nH]c2c1sc(c2)C(=O)O A2Z00050312 [0,0,0,0,0,0|3,0,0]=3 2 B12R2.252 c1coc2c1[nH]c(c2)C(=O)O A2Z00096184 [0,0,0,0,0,0|2,0,0]=2 3 B12R2.252 c1csc2c1[nH]c(c2)C(=O)O A2Z00096205 [0,0,0,0,0,0|2,0,0]=2 4 B13R2.531 COC(=O)c1cc2c([nH]1)cco2 A2Z00096224 [0,1,0,0,0,0|2,0,0]=3 5 B11R1.35 C\C(=C/c1cccs1)\C(=O)O A2Z00046433 [0,0,1,0,0,0|1,0,1]=3 6 B13R2.430 c1cc(cc2c1cc[nH]2)C(=O)O A2Z00050187 [0,0,0,0,0,1|2,0,0]=3 7 B13R2.430 c1cc2c(cc1C(=O)O)[nH]cn2 A2Z00087559 [0,0,0,0,0,1|3,0,0]=4 8 B13R2.430 c1cc2c(cc1C(=O)O)cn[nH]2 A2Z00061766 [0,0,0,0,0,1|3,0,0]=4 9 B13R2.430 c1cc2c(cc1C(=O)O)nc[nH]2 A2Z00053850 [0,0,0,0,0,1|3,0,0]=4 10 B13R2.430 c1cc2c(cc1C(=O)O)nco2 A2Z00073876 [0,0,0,0,0,1|2,1,0]=4 11 B13R2.430 c1cc2cn[nH]c2cc1C(=O)O A2Z00097338 [0,0,0,0,0,1|3,0,0]=4 12 B13R2.435 CC(=O)c1cc2ccccc2o1 A2Z00097864 [0,0,0,0,0,1|3,0,0]=4 13 B13R2.435 c1c2c(cncn2)sc1C(=O)O A2Z00050293 [0,0,0,0,0,1|3,0,0]=4 14 B13R2.435 c1cc2c(cc([nH]2)C(=O)O)nc1 A2Z00096437 [0,0,0,0,0,1|1,0,0]=2 15 B13R2.435 c1ccc2c(c1)cc([nH]2)C(=O)O A2Z00080071 [0,0,0,0,0,1|1,0,0]=2 16 B10R1.66 c1cc([nH]c1)\C=C\C(=O)O A2Z00094929 [1,0,1,0,0,0|2,0,0]=4 17 B10R1.66 c1cc(oc1)\C=C\C(=O)O A2Z00085545 [1,0,1,0,0,0|1,1,0]=4 18 B10R1.66 c1cc(sc1)CCC(=O)O A2Z00095188 [1,0,1,0,0,0|1,0,1]=4 19 B10R1.66 c1cc(sc1)\C=C\C(=O)O A2Z00096656 [1,0,1,0,0,0|1,0,0]=3 20 B10R1.66 c1cscc1\C=C\C(=O)O A2Z00096366 [1,0,1,0,0,0|0,0,0]=2 21 B10R1.31 c1c(c[nH]c1C(=O)O)C=O A2Z00096179 [1,0,1,0,0,0|0,1,0]=3 22 B10R1.31 c1cc([nH]c1C=O)C(=O)O A2Z00096160 [1,0,1,0,0,0|1,0,0]=3 23 B10R1.31 c1cc(oc1C=O)C(=O)O A2Z00094670 [1,0,1,0,0,0|2,0,0]=4 24 B12R1.108 COC(=O)\C(=C\c1cccs1)\O A2Z00049977 [0,1,1,0,0,0|2,0,0]=4 25 B14R2.966 COC(=O)c1ccc2c(c1)cc[nH]2 A2Z00096307 [0,1,0,0,0,1|2,0,0]=4 26 B14R2.966 COC(=O)c1ccc2cc[nH]c2c1 A2Z00096292 [0,1,0,0,0,1|2,0,0]=4 27 B14R2.5719 Cn1ccc2c1ccc(c2)C(=O)O A2Z00087150 [0,1,0,0,0,1|2,0,0]=4 28 B14R2.5998 Cc1c2ccsc2ccc1C(=O)O A2Z00096424 [0,1,0,0,0,1|1,0,0]=3 29 B14R2.5998 c1csc2n1c(=O)c(cn2)C(=O)O A2Z00059914 [0,1,0,0,0,1|1,0,1]=4 30 B14R2.24358 Cn1ccc2c1cc(cc2)C(=O)O A2Z00087261 [0,1,0,0,0,1|2,0,0]=4 31 B14R2.450 Cc1c2ccccc2oc1C(=O)O A2Z00017253 [0,1,0,0,0,1|2,0,0]=4 32 B14R2.450 Cn1c2ccccc2cc1C(=O)O A2Z00096774 [0,1,0,0,0,1|1,0,0]=3 33 B14R2.4529 Cc1ccc2cc(oc2c1)C(=O)O A2Z00050164 [0,1,0,0,0,1|2,0,0]=4 34 B14R2.4529 c1cc(cc2c1cc([nH]2)C(=O)O)Br A2Z00047194 [0,1,0,0,0,1|1,0,0]=3 35 B14R2.4529 c1cc(cc2c1cc(o2)C(=O)O)Br A2Z00050224 [0,1,0,0,0,1|2,0,0]=4 36 B14R2.4529 c1cc2c(cc1F)cc([nH]2)C(=O)O A2Z00086999 [0,1,0,0,0,1|1,0,0]=3 37 B14R2.7969 c1cc2c(cc(o2)C(=O)O)c(c1)Br A2Z00050225 [0,1,0,0,0,1|2,0,0]=4 38 B14R2.7969 c1cc2cc([nH]c2c(c1)Cl)C(=O)O A2Z00074005 [0,1,0,0,0,1|1,0,0]=3 39 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O A2Z00046434 [0,0,1,0,0,1|2,0,0]=4 40 B12R1.43 c1ccnc(c1)NC(=O)C(=O)O A2Z00047055 [0,0,1,0,0,1|2,0,0]=4 41 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)Cl A2Z00033999 [0,0,1,0,0,1|2,0,0]=4 42 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)F A2Z00095186 [0,0,1,0,0,1|2,0,0]=4 43 B12R1.226 c1cc(cc(c1)Cl)\C=C\C(=O)O A2Z00038051 [0,0,1,0,0,1|2,0,0]=4 44 B12R1.226 c1cc(cc(c1)F)\C=C\C(=O)O A2Z00097969 [0,0,1,0,0,1|2,0,0]=4 45 B12R2.32 c1cc2c(cc([nH]2)C=O)nc1 A2Z00096231 [1,0,0,0,0,1|1,0,0]=3 46 B12R2.32 c1cc2c(cc([nH]2)CO)nc1 A2Z00096517 [1,0,0,0,0,1|1,0,1]=4 47 B12R2.32 c1ccc2c(c1)cc(o2)C=O A2Z00095921 [1,0,0,0,0,1|2,0,0]=4 48 B12R2.44 c1cc2c(cc[nH]2)cc1C=O A2Z00096070 [1,0,0,0,0,1|2,0,0]=4 49 B14R2.781 c1cc2ccc(nc2nc1)C(=O)O A2Z00009583 [0,0,0,0,0,2|1,0,1]=4 50 B14R2.781 c1ccc2c(c1)cc(nn2)C(=O)O A2Z00049201 [0,0,0,0,0,2|1,0,1]=4 51 B14R2.781 c1ccc2c(c1)ccc(n2)C(=O)O A2Z00097406 [0,0,0,0,0,2|1,0,1]=4 52 B14R2.781 c1ccc2cc(ccc2c1)C(=O)O A2Z00097506 [0,0,0,0,0,2|2,0,0]=4 53 B14R2.1008 c1cc(cc2c1cc[nH]2)CC(=O)O A2Z00050303 [0,0,0,0,0,2|2,0,0]=4 54 B14R2.1008 c1cc2c(cc[nH]2)cc1CC(=O)O A2Z00050304 [0,0,0,0,0,2|2,0,0]=4 55 B14R2.768 c1ccc2c(c1)cc([nH]2)CC(=O)O A2Z00047195 [0,0,0,0,0,2|1,0,0]=3 56 B14R2.768 c1ccc2c(c1)cc(o2)CC(=O)O A2Z00070485 [0,0,0,0,0,2|2,0,0]=4