0 B13R1.510 c1cc(c(cc1C(C(=O)O)O)O)O CHEBI:27637 [0,0,0,0,0,0|2,0,1]=3 1 B13R1.510 c1cc(c(cc1C(C(=O)[O-])O)O)O CHEBI:53326 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.19 c1cc(c(cc1CC(=O)O)O)O CHEBI:41941 [1,0,0,0,0,0|2,0,1]=4 3 B12R1.19 c1cc(c(cc1CC(=O)[O-])O)O CHEBI:17612 [1,0,0,0,0,0|2,0,1]=4 4 B12R1.20 c1cc(ccc1C(C(=O)N)N)O CHEBI:58991 [1,0,0,0,0,0|2,0,1]=4 5 B12R1.20 c1cc(ccc1C(C(=O)O)O)O CHEBI:16388 [1,0,0,0,0,0|2,0,1]=4 6 B12R1.20 c1cc(ccc1C(C(=O)[O-])O)O CHEBI:32804 [1,0,0,0,0,0|2,0,1]=4 7 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)O)O CHEBI:32802 [1,0,0,0,0,0|2,0,1]=4 8 B12R1.20 c1cc(ccc1[C@@H](C(=O)[O-])O)O CHEBI:17210 [1,0,0,0,0,0|2,0,1]=4 9 B12R1.20 c1cc(ccc1[C@H](C(=O)O)O)O CHEBI:32803 [1,0,0,0,0,0|2,0,1]=4 10 B12R1.20 c1cc(ccc1[C@H](C(=O)[O-])O)O CHEBI:27996 [1,0,0,0,0,0|2,0,1]=4 11 B12R1.225 C[C@@H]([C@@H](c1cccc(c1)O)O)N CHEBI:6794 [1,0,0,0,0,0|0,0,0]=1 12 B12R1.225 C[C@@H]([C@@H](c1cccc(c1)O)O)N CHEBI:6795 [1,0,0,0,0,0|0,0,0]=1 13 B12R1.225 c1cc(cc(c1)O)C(C(=O)O)O CHEBI:86553 [1,0,0,0,0,0|2,0,1]=4 14 B12R1.367 COC(=O)c1ccc(c(c1)O)O CHEBI:132366 [1,0,0,0,0,0|1,0,2]=4 15 B12R1.367 c1cc(c(cc1C(=O)CCl)O)O CHEBI:51844 [1,0,0,0,0,0|1,0,2]=4 16 B12R1.367 c1cc(c(cc1C(C=O)O)O)O CHEBI:27852 [1,0,0,0,0,0|1,0,1]=3 17 B12R1.367 c1cc(c(cc1C(CN)O)O)O CHEBI:33569 [1,0,0,0,0,0|0,0,0]=1 18 B12R1.367 c1cc(c(cc1C(CO)O)O)O CHEBI:1387 [1,0,0,0,0,0|1,0,0]=2 19 B12R1.367 c1cc(c(cc1[C@@H](CN)O)O)O CHEBI:33571 [1,0,0,0,0,0|0,0,0]=1 20 B12R1.367 c1cc(c(cc1[C@H](CN)O)O)O CHEBI:18357 [1,0,0,0,0,0|0,0,0]=1 21 B12R1.367 c1cc(c(cc1[C@H](C[NH3+])O)O)O CHEBI:72587 [1,0,0,0,0,0|0,0,1]=2 22 B14R1.41 COc1cc(ccc1O)C(C(=O)O)O CHEBI:20106 [0,1,0,0,0,0|2,0,1]=4 23 B14R1.41 COc1cc(ccc1O)C(C(=O)[O-])O CHEBI:27622 [0,1,0,0,0,0|2,0,1]=4 24 B14R1.686 c1cc(c(cc1CC(C(=O)O)O)O)O CHEBI:17807 [0,0,0,0,0,1|2,0,1]=4 25 B14R1.686 c1cc(c(cc1CC(C(=O)[O-])O)O)O CHEBI:58279 [0,0,0,0,0,1|2,0,1]=4 26 B14R1.686 c1cc(c(cc1C[C@H](C(=O)O)O)O)O CHEBI:71572 [0,0,0,0,0,1|2,0,1]=4 27 B14R1.686 c1cc(c(cc1C[C@H](C(=O)[O-])O)O)O CHEBI:71492 [0,0,0,0,0,1|2,0,1]=4 28 B11R1.192 C1=CC(=O)C(=O)C=C1CCN CHEBI:74684 [2,0,0,0,0,0|0,0,2]=4 29 B11R1.192 c1cc(c(cc1CC=O)O)O CHEBI:27978 [2,0,0,0,0,0|1,0,1]=4 30 B11R1.192 c1cc(c(cc1CCN)O)O CHEBI:18243 [2,0,0,0,0,0|0,0,0]=2 31 B11R1.192 c1cc(c(cc1CCO)O)O CHEBI:68889 [2,0,0,0,0,0|1,0,0]=3 32 B11R1.192 c1cc(c(cc1CC[NH3+])O)O CHEBI:59905 [2,0,0,0,0,0|0,0,1]=3 33 B11R1.22 c1cc(ccc1C(C#N)O)O CHEBI:18115 [2,0,0,0,0,0|0,0,2]=4 34 B11R1.22 c1cc(ccc1C(CN)O)O CHEBI:17134 [2,0,0,0,0,0|0,0,0]=2 35 B11R1.22 c1cc(ccc1C(C[NH3+])O)O CHEBI:58025 [2,0,0,0,0,0|0,0,1]=3 36 B11R1.22 c1cc(ccc1[C@@H](C#N)O)O CHEBI:16660 [2,0,0,0,0,0|0,0,2]=4 37 B11R1.22 c1cc(ccc1[C@@H](CN)O)O CHEBI:44808 [2,0,0,0,0,0|0,0,0]=2 38 B11R1.22 c1cc(ccc1[C@H](CN)O)O CHEBI:44715 [2,0,0,0,0,0|0,0,0]=2 39 B11R1.36 CC(C(=O)c1ccccc1)N CHEBI:59332 [2,0,0,0,0,0|0,0,2]=4 40 B11R1.36 C[C@@H](C(=O)c1ccccc1)N CHEBI:4110 [2,0,0,0,0,0|0,0,2]=4 41 B11R1.36 c1ccc(cc1)[C@H](C(=O)N)O CHEBI:17352 [2,0,0,0,0,0|1,0,1]=4 42 B11R1.21 CC(=O)c1ccc(c(c1)O)O CHEBI:19868 [2,0,0,0,0,0|0,0,2]=4 43 B11R1.21 Cc1ccc(cc1O)C(C)C CHEBI:3440 [2,0,0,0,0,0|2,0,0]=4 44 B11R1.21 c1cc(c(cc1C(=O)O)O)O CHEBI:36062 [2,0,0,0,0,0|1,0,1]=4 45 B13R1.466 CCOC(=O)c1ccc(c(c1)O)O CHEBI:132364 [1,1,0,0,0,0|0,0,2]=4 46 B13R1.466 CNCC(c1ccc(c(c1)O)O)O CHEBI:33568 [1,1,0,0,0,0|0,0,0]=2 47 B13R1.466 CNC[C@@H](c1ccc(c(c1)O)O)O CHEBI:28918 [1,1,0,0,0,0|0,0,0]=2 48 B13R1.466 CNC[C@@H](c1ccc(c(c1)O)O)O CHEBI:6213 [1,1,0,0,0,0|0,0,0]=2 49 B13R1.466 CNC[C@H](c1ccc(c(c1)O)O)O CHEBI:40751 [1,1,0,0,0,0|0,0,0]=2 50 B13R1.466 C[NH2+]C[C@@H](c1ccc(c(c1)O)O)O CHEBI:71406 [1,1,0,0,0,0|0,0,0]=2 51 B15R1.4029 COc1cc(ccc1O)C(C(CO)O)O CHEBI:53663 [0,2,0,0,0,0|1,0,0]=3 52 B15R1.4029 COc1cc(ccc1O)[C@@H]([C@H](CO)O)O CHEBI:67646 [0,2,0,0,0,0|1,0,0]=3 53 B15R1.4029 COc1cc(ccc1O)[C@H]([C@H](CO)O)O CHEBI:67645 [0,2,0,0,0,0|1,0,0]=3 54 B15R1.889 CC(C)NCC(c1ccc(c(c1)O)O)O CHEBI:64317 [0,0,0,0,0,2|1,0,0]=3 55 B15R1.889 CC(C)NC[C@@H](c1ccc(c(c1)O)O)O CHEBI:6257 [0,0,0,0,0,2|1,0,0]=3