0 B13R2.328 c1ccc2c(c1)C(=O)CC(=O)N2 CHEBI:85653 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.328 c1ccc2c(c1)C(=O)O[Bi](O2)O CHEBI:261649 [0,0,0,0,0,0|0,0,0]=0 2 B13R2.328 c1ccc2c(c1)c(=O)[nH]c(=N)[nH]2 CHEBI:85558 [0,0,0,0,0,0|4,0,0]=4 3 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O CHEBI:40070 [0,0,0,0,0,0|2,0,2]=4 4 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)[O-] CHEBI:77858 [0,0,0,0,0,0|2,0,2]=4 5 B12R2.24 c1ccc2c(c1)ccc(=O)o2 CHEBI:28794 [1,0,0,0,0,0|2,0,1]=4 6 B12R2.24 c1ccc2c(c1)ccc(n2)O CHEBI:16365 [1,0,0,0,0,0|3,0,0]=4 7 B12R2.24 c1ccc2cc(ccc2c1)O CHEBI:10432 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.1081 c1ccc2c(c1)CCOC2=O CHEBI:23745 [1,0,0,0,0,0|2,0,0]=3 9 B12R2.1081 c1ccc2c(c1)c(=O)cco2 CHEBI:72013 [1,0,0,0,0,0|2,0,0]=3 10 B12R2.1081 c1ccc2c(c1)cc[nH]c2=O CHEBI:18350 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.1081 c1ccc2c(c1)ccoc2=O CHEBI:38759 [1,0,0,0,0,0|2,0,0]=3 12 B12R2.1081 c1ccc2c(c1)cn[nH]c2=O CHEBI:34023 [1,0,0,0,0,0|3,0,0]=4 13 B14R2.7724 Cn1c2ccccc2c(=O)oc1=O CHEBI:59054 [0,1,0,0,0,0|2,0,1]=4 14 B14R2.7724 c1ccc2c(c1)C(=O)C=C(C2=O)O CHEBI:44401 [0,1,0,0,0,0|3,0,0]=4 15 B14R2.28480 CC1Cc2cccc(c2C(=O)O1)O CHEBI:38760 [0,1,0,0,0,0|3,0,0]=4 16 B12R1.107 CC(=O)OC(=O)c1ccccc1 CHEBI:36633 [0,0,1,0,0,0|2,0,1]=4 17 B12R1.107 c1ccc(cc1)C(=O)CC(=O)O CHEBI:28759 [0,0,1,0,0,0|2,0,1]=4 18 B12R1.283 c1ccc(c(c1)C(=O)O)NC=O CHEBI:36575 [0,0,1,0,0,0|2,0,1]=4 19 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 CHEBI:27539 [0,0,0,0,1,0|2,0,1]=4 20 B12R2.18 c1ccc2c(c1)c(c([nH]2)O)O CHEBI:17828 [0,0,0,0,1,0|2,0,1]=4 21 B12R2.2028 c1ccc2c(c1)C(=O)CC2=O CHEBI:78877 [0,0,0,0,1,0|2,0,1]=4 22 B12R2.2028 c1ccc2c(c1)C(=O)NC2=O CHEBI:38817 [0,0,0,0,1,0|2,0,1]=4 23 B12R2.2028 c1ccc2c(c1)C(=O)OC2=O CHEBI:36605 [0,0,0,0,1,0|1,0,1]=3 24 B12R2.2028 c1ccc2c(c1)C(=O)OI2O CHEBI:52699 [0,0,0,0,1,0|1,0,0]=2 25 B12R2.2028 c1ccc2c(c1)C(OC2=O)O CHEBI:495639 [0,0,0,0,1,0|1,0,0]=2 26 B11R1.28 c1ccc(cc1)CCOC=O CHEBI:87417 [1,0,1,0,0,0|2,0,0]=4 27 B11R1.16 C=COC(=O)c1ccccc1 CHEBI:84279 [1,0,1,0,0,0|2,0,0]=4 28 B11R1.53 CNc1ccccc1C(=O)O CHEBI:16394 [1,0,1,0,0,0|2,0,0]=4 29 B11R1.53 COc1ccccc1C(=O)O CHEBI:421840 [1,0,1,0,0,0|1,0,0]=3 30 B11R1.53 COc1ccccc1C(=O)[O-] CHEBI:59128 [1,0,1,0,0,0|1,0,1]=4 31 B11R1.53 c1ccc(c(c1)C(=O)O)I=O CHEBI:52698 [1,0,1,0,0,0|1,0,1]=4 32 B11R1.53 c1ccc(c(c1)C(=O)O)NO CHEBI:25618 [1,0,1,0,0,0|1,0,0]=3 33 B11R1.53 c1ccc(c(c1)C=O)C(=O)O CHEBI:17605 [1,0,1,0,0,0|1,0,1]=4 34 B11R1.222 COC(=O)c1ccccc1N CHEBI:73244 [1,0,1,0,0,0|2,0,0]=4 35 B11R1.222 COC(=O)c1ccccc1O CHEBI:31832 [1,0,1,0,0,0|1,0,0]=3 36 B11R1.222 c1ccc(c(c1)C(=O)NO)O CHEBI:45615 [1,0,1,0,0,0|1,0,0]=3 37 B11R2.20 c1ccc2=COCC=c2c1 CHEBI:36116 [2,0,0,0,0,0|2,0,0]=4 38 B11R2.20 c1ccc2c(c1)C=CCO2 CHEBI:35601 [2,0,0,0,0,0|2,0,0]=4 39 B13R1.674 c1ccc(c(c1)C(=O)OCCO)O CHEBI:86541 [0,1,1,0,0,0|1,0,0]=3 40 B13R2.12159 c1ccc2c(c1)C(=O)OI2(=O)O CHEBI:52701 [0,1,0,0,1,0|1,0,0]=3 41 B11R1.36 CC(C(=O)c1ccccc1)O CHEBI:63553 [0,0,1,0,1,0|2,0,0]=4 42 B11R1.36 c1ccc(cc1)C(=O)C(=O)O CHEBI:18280 [0,0,1,0,1,0|1,0,1]=4 43 B11R2.1 B1(c2ccccc2CO1)O CHEBI:78238 [1,0,0,0,1,0|1,0,1]=4