0 B12R2.18 C=C1c2ccccc2NC1=O CHEBI:17920 [0,0,0,0,0,0|3,0,0]=3 1 B12R2.18 CC1c2ccccc2NC1=O CHEBI:17397 [0,0,0,0,0,0|3,0,0]=3 2 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 CHEBI:27539 [0,0,0,0,0,0|2,0,1]=3 3 B12R2.18 c1ccc2c(c1)C(C(=O)N2)O CHEBI:28536 [0,0,0,0,0,0|2,0,0]=2 4 B12R2.18 c1ccc2c(c1)c(c([nH]2)O)O CHEBI:17828 [0,0,0,0,0,0|2,0,1]=3 5 B11R2.1 Cc1c[nH]c2c1cccc2 CHEBI:9171 [1,0,0,0,0,0|3,0,0]=4 6 B11R2.1 c1ccc2c(c1)c(c[nH]2)N CHEBI:28626 [1,0,0,0,0,0|3,0,0]=4 7 B11R2.1 c1ccc2c(c1)c(c[nH]2)O CHEBI:17840 [1,0,0,0,0,0|2,0,0]=3 8 B11R2.1 c1ccc2c(c1)ccn2Br CHEBI:52517 [1,0,0,0,0,0|3,0,0]=4 9 B11R2.1 c1ccc2c(c1)ccn2Cl CHEBI:52510 [1,0,0,0,0,0|3,0,0]=4 10 B11R2.10 Cc1cc2ccccc2[nH]1 CHEBI:49402 [1,0,0,0,0,0|3,0,0]=4 11 B11R2.10 c1cc2c([nH]c(=O)o2)nc1 CHEBI:38580 [1,0,0,0,0,0|1,0,0]=2 12 B11R2.10 c1ccc2=NC(=O)C=c2c1 CHEBI:51630 [1,0,0,0,0,0|2,0,1]=4 13 B11R2.10 c1ccc2c(c1)CC(=O)C2 CHEBI:27930 [1,0,0,0,0,0|3,0,0]=4 14 B11R2.10 c1ccc2c(c1)CC(=O)N2 CHEBI:31697 [1,0,0,0,0,0|2,0,0]=3 15 B11R2.10 c1ccc2c(c1)[nH]c(n2)N CHEBI:27822 [1,0,0,0,0,0|2,0,1]=4 16 B11R2.10 c1ccc2c(c1)cc([nH]2)N CHEBI:33066 [1,0,0,0,0,0|3,0,0]=4 17 B13R2.359 CC1(c2ccccc2NC1=O)O CHEBI:28254 [0,1,0,0,0,0|2,0,0]=3 18 B13R2.3028 c1cc2c(cc1N)C(=O)C(=O)N2 CHEBI:59593 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.36 c1ccc(cc1)C(C(=O)O)O CHEBI:35825 [0,0,1,0,0,0|3,0,0]=4 20 B11R1.36 c1ccc(cc1)C(C(=O)[O-])O CHEBI:25147 [0,0,1,0,0,0|3,0,0]=4 21 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O CHEBI:32800 [0,0,1,0,0,0|3,0,0]=4 22 B11R1.36 c1ccc(cc1)[C@@H](C(=O)[O-])O CHEBI:17756 [0,0,1,0,0,0|3,0,0]=4 23 B11R1.36 c1ccc(cc1)[C@H](C(=O)N)O CHEBI:17352 [0,0,1,0,0,0|2,0,0]=3 24 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O CHEBI:17656 [0,0,1,0,0,0|3,0,0]=4 25 B11R1.36 c1ccc(cc1)[C@H](C(=O)[O-])O CHEBI:32382 [0,0,1,0,0,0|3,0,0]=4 26 B11R1.41 c1ccc(c(c1)C=O)NC=O CHEBI:18033 [0,0,1,0,0,0|2,0,1]=4 27 B13R2.328 Cc1cc(=O)[nH]c2c1cccc2 CHEBI:48986 [0,0,0,0,0,1|3,0,0]=4 28 B13R2.328 c1ccc2c(c1)C(=O)CC(=O)N2 CHEBI:85653 [0,0,0,0,0,1|2,0,1]=4 29 B13R2.328 c1ccc2c(c1)c(cc(=O)[nH]2)O CHEBI:75926 [0,0,0,0,0,1|2,0,0]=3 30 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)O CHEBI:40070 [0,0,0,0,0,1|3,0,0]=4 31 B13R2.369 Cc1cc2ccccc2[nH]c1=O CHEBI:20114 [0,0,0,0,0,1|3,0,0]=4 32 B13R2.369 c1ccc2c(c1)NC(=O)C(O2)O CHEBI:63559 [0,0,0,0,0,1|2,0,0]=3 33 B10R1.18 CC(=O)Nc1ccccc1 CHEBI:28884 [1,0,1,0,0,0|2,0,0]=4 34 B10R1.18 [*]C(=O)Nc1ccccc1 CHEBI:13248 [1,0,1,0,0,0|2,0,0]=4 35 B10R1.18 c1cc(cnc1)CC(=O)O CHEBI:86390 [1,0,1,0,0,0|2,0,0]=4 36 B10R1.18 c1ccc(cc1)CC(=O)N CHEBI:16562 [1,0,1,0,0,0|2,0,0]=4 37 B10R1.18 c1ccc(cc1)CC(=O)O CHEBI:30745 [1,0,1,0,0,0|2,0,0]=4 38 B10R1.18 c1ccc(cc1)NC(=O)O CHEBI:52496 [1,0,1,0,0,0|1,0,0]=3 39 B10R1.18 c1ccc(cc1)NC(=S)N CHEBI:46261 [1,0,1,0,0,0|1,1,0]=4 40 B10R1.61 c1cc(c(nc1)N)C(=O)O CHEBI:68572 [1,0,1,0,0,0|1,0,0]=3 41 B10R1.61 c1ccc(c(c1)C(=O)O)N CHEBI:30754 [1,0,1,0,0,0|2,0,0]=4 42 B10R2.7 c1c2c([nH]cn2)ncn1 CHEBI:35589 [2,0,0,0,0,0|1,0,1]=4 43 B10R2.7 c1c2c(nc[nH]2)ncn1 CHEBI:17258 [2,0,0,0,0,0|1,0,1]=4 44 B10R2.7 c1cc2c(nc1)nc[nH]2 CHEBI:59952 [2,0,0,0,0,0|0,0,1]=3 45 B10R2.7 c1cc2c(nc1)nco2 CHEBI:38581 [2,0,0,0,0,0|1,0,1]=4 46 B10R2.7 c1ccc2c(c1)[nH]cn2 CHEBI:41275 [2,0,0,0,0,0|1,0,1]=4 47 B10R2.7 c1ccc2c(c1)cc[nH]2 CHEBI:16881 [2,0,0,0,0,0|2,0,0]=4 48 B12R1.283 c1ccc(c(c1)C(=O)O)NC=O CHEBI:36575 [0,1,1,0,0,0|2,0,0]=4 49 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO CHEBI:24814 [1,1,0,0,0,0|2,0,0]=4 50 B12R2.132 c1cc2c(cc1Br)c(c[nH]2)O CHEBI:90247 [1,1,0,0,0,0|2,0,0]=4 51 B12R2.32 c1ccc2c(c1)[nH]c(n2)C=O CHEBI:36636 [1,1,0,0,0,0|1,0,1]=4 52 B12R2.202 c1nc(c2c(n1)[nH]c(=O)[nH]2)N CHEBI:134104 [1,1,0,0,0,0|1,0,0]=3 53 B12R2.606 c1cc2c(cc1Br)oc(=O)[nH]2 CHEBI:77861 [1,1,0,0,0,0|2,0,0]=4 54 B14R2.8188 c1ccc2c(c1)N(C(=O)C(O2)O)O CHEBI:63558 [0,1,0,0,0,1|2,0,0]=4 55 B14R2.4217 c1cc2c(cc1Cl)oc(=O)n2CO CHEBI:38811 [0,2,0,0,0,0|2,0,0]=4