0 B14R2.8239 c1cc(=O)oc2c1cc(c(c2)O)O CHEBI:490095 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.155 Cc1ccc2ccc(cc2c1)C CHEBI:48632 [1,0,0,0,0,0|3,0,0]=4 2 B13R2.155 c1cc(cc2c1ccc(=O)[nH]2)O CHEBI:48987 [1,0,0,0,0,0|1,0,0]=2 3 B13R2.155 c1cc(cc2c1ccc(=O)o2)O CHEBI:27510 [1,0,0,0,0,0|2,0,0]=3 4 B13R2.369 Cc1cc2ccccc2[nH]c1=O CHEBI:20114 [1,0,0,0,0,0|1,0,0]=2 5 B13R2.369 Cc1cc2ccccc2cc1C CHEBI:48615 [1,0,0,0,0,0|3,0,0]=4 6 B13R2.369 c1ccc2c(c1)NC(=O)C(O2)O CHEBI:63559 [1,0,0,0,0,0|1,0,1]=3 7 B13R2.369 c1ccc2cc(c(cc2c1)O)O CHEBI:38135 [1,0,0,0,0,0|1,0,1]=3 8 B13R2.3683 Cc1ccc2cc(ccc2c1)C CHEBI:34251 [1,0,0,0,0,0|3,0,0]=4 9 B13R2.3683 c1cc(=O)[nH]c2c1cc(cc2)O CHEBI:48996 [1,0,0,0,0,0|3,0,0]=4 10 B13R2.3683 c1cc(cc2c1cc(cc2)Br)O CHEBI:34466 [1,0,0,0,0,0|1,1,0]=3 11 B13R2.3683 c1cc(nc2c1cc(cc2)O)Cl CHEBI:48489 [1,0,0,0,0,0|2,1,0]=4 12 B13R2.3683 c1cc(nc2c1cc(cc2)O)O CHEBI:48490 [1,0,0,0,0,0|3,0,0]=4 13 B15R2.63893 Cc1c2ccc(cc2oc(=O)c1Cl)O CHEBI:38620 [0,1,0,0,0,0|3,0,0]=4 14 B15R2.63893 c1cc2c(cc1O)oc(=O)c(c2O)N CHEBI:31107 [0,1,0,0,0,0|3,0,0]=4 15 B15R2.63893 c1cc2c(cc1[O-])oc(=O)c(c2O)N CHEBI:74156 [0,1,0,0,0,0|3,0,0]=4 16 B13R1.133 c1cc(ccc1\C=C(\C(=O)O)/O)O CHEBI:27683 [0,0,1,0,0,0|2,0,0]=3 17 B13R1.133 c1cc(ccc1\C=C(\C(=O)O)/S)I CHEBI:130910 [0,0,1,0,0,0|1,2,0]=4 18 B13R2.3028 c1cc2c(cc1N)C(=O)C(=O)N2 CHEBI:59593 [0,0,0,0,1,0|2,0,1]=4 19 B12R1.21 CC(=O)\C=C\c1ccc(cc1)O CHEBI:68636 [1,0,1,0,0,0|2,0,0]=4 20 B12R1.21 c1cc(ccc1\C=C/C(=O)O)O CHEBI:17450 [1,0,1,0,0,0|2,0,0]=4 21 B12R1.21 c1cc(ccc1\C=C/C(=O)[O-])O CHEBI:58152 [1,0,1,0,0,0|2,0,0]=4 22 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Cl CHEBI:61116 [1,0,1,0,0,0|1,1,0]=4 23 B12R1.21 c1cc(ccc1\C=C\C(=O)O)O CHEBI:32374 [1,0,1,0,0,0|2,0,0]=4 24 B12R1.21 c1cc(ccc1\C=C\C(=O)O)O CHEBI:36090 [1,0,1,0,0,0|2,0,0]=4 25 B12R1.21 c1cc(ccc1\C=C\C(=O)[O-])O CHEBI:12876 [1,0,1,0,0,0|2,0,0]=4 26 B12R1.21 c1cc(ccc1\C=C\C(=O)[O-])O CHEBI:32373 [1,0,1,0,0,0|2,0,0]=4 27 B12R1.43 c1ccc(cc1)C=C(C(=O)O)O CHEBI:32815 [1,0,1,0,0,0|1,0,0]=3 28 B12R1.43 c1ccc(cc1)C=C(C(=O)[O-])O CHEBI:16815 [1,0,1,0,0,0|1,0,0]=3 29 B12R1.43 c1ccc(cc1)CC(=O)C(=O)O CHEBI:30851 [1,0,1,0,0,0|2,0,0]=4 30 B12R2.24 Cc1cc2ccccc2nc1 CHEBI:20140 [2,0,0,0,0,0|1,0,1]=4 31 B12R2.24 Cc1ccc2ccccc2c1 CHEBI:50720 [2,0,0,0,0,0|2,0,0]=4 32 B12R2.24 Cc1ccc2ccccc2n1 CHEBI:132813 [2,0,0,0,0,0|1,0,1]=4 33 B12R2.24 c1cc2cc(ccc2nc1)O CHEBI:48994 [2,0,0,0,0,0|2,0,0]=4 34 B12R2.24 c1cc2ccc(cc2nc1)O CHEBI:48980 [2,0,0,0,0,0|1,0,1]=4 35 B12R2.24 c1ccc2c(c1)ccc(=O)[nH]2 CHEBI:18289 [2,0,0,0,0,0|0,0,0]=2 36 B12R2.24 c1ccc2c(c1)ccc(=O)o2 CHEBI:28794 [2,0,0,0,0,0|1,0,0]=3 37 B12R2.24 c1ccc2c(c1)ccc(n2)O CHEBI:16365 [2,0,0,0,0,0|0,0,2]=4 38 B12R2.24 c1ccc2c(c1)ncc(n2)O CHEBI:38890 [2,0,0,0,0,0|1,0,1]=4 39 B12R2.24 c1ccc2cc(ccc2c1)N CHEBI:27878 [2,0,0,0,0,0|2,0,0]=4 40 B12R2.24 c1ccc2cc(ccc2c1)O CHEBI:10432 [2,0,0,0,0,0|1,0,0]=3 41 B14R2.134 COc1ccc2ccc(=O)oc2c1 CHEBI:5679 [1,1,0,0,0,0|2,0,0]=4 42 B14R2.4513 c1cc(c(c2c1ccc(=O)o2)O)O CHEBI:17313 [1,1,0,0,0,0|2,0,0]=4 43 B14R2.29365 Cc1cc(=O)oc2c1ccc(c2)N CHEBI:51771 [1,1,0,0,0,0|2,0,0]=4 44 B14R2.29365 Cc1cc(=O)oc2c1ccc(c2)O CHEBI:17224 [1,1,0,0,0,0|2,0,0]=4 45 B14R2.8188 Cc1c(c(=O)c2ccccc2[nH]1)O CHEBI:29216 [1,1,0,0,0,0|1,0,0]=3 46 B14R2.8188 Cc1c(c(=O)c2ccccc2[nH]1)[O-] CHEBI:58616 [1,1,0,0,0,0|1,0,1]=4 47 B14R2.8188 c1ccc2c(c1)N(C(=O)C(O2)O)O CHEBI:63558 [1,1,0,0,0,0|1,0,1]=4 48 B14R2.29369 c1cc(c(c2c1cc(cc2)N)O)O CHEBI:20697 [1,1,0,0,0,0|2,0,0]=4 49 B12R2.18 C=C1c2ccccc2NC1=O CHEBI:17920 [1,0,0,0,1,0|1,0,0]=3 50 B12R2.18 CC1c2ccccc2NC1=O CHEBI:17397 [1,0,0,0,1,0|1,0,1]=4 51 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 CHEBI:27539 [1,0,0,0,1,0|0,0,1]=3 52 B12R2.18 c1ccc2c(c1)C(C(=O)N2)O CHEBI:28536 [1,0,0,0,1,0|0,0,1]=3 53 B12R2.18 c1ccc2c(c1)c(c([nH]2)O)O CHEBI:17828 [1,0,0,0,1,0|0,0,1]=3