0 B15R1.48 CCOC(=O)[C@H](Cc1ccc(cc1)O)N CHEBI:9798 [0,0,0,0,0,0|0,0,0]=0 1 B14R1.60 CCOC(=O)C(Cc1ccccc1)O CHEBI:87513 [1,0,0,0,0,0|1,0,0]=2 2 B14R1.134 COC(=O)[C@H](Cc1ccc(cc1)O)N CHEBI:17215 [1,0,0,0,0,0|0,0,0]=1 3 B16R1.15339 CCOC(=O)C(C)(C)Oc1ccc(cc1)Cl CHEBI:3750 [0,1,0,0,0,0|3,0,0]=4 4 B13R1.42 c1ccc(cc1)CCC(=O)CCO CHEBI:66037 [2,0,0,0,0,0|2,0,0]=4 5 B13R1.135 COC(=O)[C@H](Cc1ccccc1)N CHEBI:49339 [2,0,0,0,0,0|0,0,0]=2 6 B13R1.133 c1cc(ccc1CC(=O)C(=O)O)O CHEBI:15999 [2,0,0,0,0,0|1,0,1]=4 7 B13R1.133 c1cc(ccc1CC(C(=O)O)N)F CHEBI:84060 [2,0,0,0,0,0|1,0,0]=3 8 B13R1.133 c1cc(ccc1CC(C(=O)O)N)O CHEBI:18186 [2,0,0,0,0,0|0,0,0]=2 9 B13R1.133 c1cc(ccc1CC(C(=O)O)N)[OH+] CHEBI:32787 [2,0,0,0,0,0|0,0,0]=2 10 B13R1.133 c1cc(ccc1CC(C(=O)O)N)[O] CHEBI:32783 [2,0,0,0,0,0|0,0,1]=3 11 B13R1.133 c1cc(ccc1CC(C(=O)O)O)O CHEBI:17385 [2,0,0,0,0,0|1,0,0]=3 12 B13R1.133 c1cc(ccc1CC(C(=O)O)[NH3+])O CHEBI:32786 [2,0,0,0,0,0|0,0,1]=3 13 B13R1.133 c1cc(ccc1CC(C(=O)[O-])N)O CHEBI:32784 [2,0,0,0,0,0|0,0,1]=3 14 B13R1.133 c1cc(ccc1CC(C(=O)[O-])N)[O-] CHEBI:32785 [2,0,0,0,0,0|0,0,2]=4 15 B13R1.133 c1cc(ccc1CC(C(=O)[O-])O)O CHEBI:36659 [2,0,0,0,0,0|1,0,1]=4 16 B13R1.133 c1cc(ccc1C[C@@H](C(=O)N)N)O CHEBI:21412 [2,0,0,0,0,0|1,0,0]=3 17 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)Cl CHEBI:47069 [2,0,0,0,0,0|1,0,0]=3 18 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)F CHEBI:10625 [2,0,0,0,0,0|1,0,0]=3 19 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)F CHEBI:44909 [2,0,0,0,0,0|1,0,0]=3 20 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)O CHEBI:17895 [2,0,0,0,0,0|0,0,0]=2 21 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)[OH+] CHEBI:32763 [2,0,0,0,0,0|0,0,0]=2 22 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)N)[O] CHEBI:32759 [2,0,0,0,0,0|0,0,1]=3 23 B13R1.133 c1cc(ccc1C[C@@H](C(=O)O)[NH3+])O CHEBI:32762 [2,0,0,0,0,0|0,0,1]=3 24 B13R1.133 c1cc(ccc1C[C@@H](C(=O)[O-])N)O CHEBI:32760 [2,0,0,0,0,0|0,0,1]=3 25 B13R1.133 c1cc(ccc1C[C@@H](C(=O)[O-])N)[O-] CHEBI:32761 [2,0,0,0,0,0|0,0,2]=4 26 B13R1.133 c1cc(ccc1C[C@@H](C(=O)[O-])N)[O-] CHEBI:53696 [2,0,0,0,0,0|0,0,2]=4 27 B13R1.133 c1cc(ccc1C[C@@H](C(=O)[O-])[NH3+])O CHEBI:58315 [2,0,0,0,0,0|0,0,2]=4 28 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)O CHEBI:28479 [2,0,0,0,0,0|0,0,0]=2 29 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)[OH+] CHEBI:32776 [2,0,0,0,0,0|0,0,0]=2 30 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)[O] CHEBI:32777 [2,0,0,0,0,0|0,0,1]=3 31 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)O)O CHEBI:16003 [2,0,0,0,0,0|1,0,0]=3 32 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)[NH3+])O CHEBI:32775 [2,0,0,0,0,0|0,0,1]=3 33 B13R1.133 c1cc(ccc1C[C@H](C(=O)[O-])N)O CHEBI:32773 [2,0,0,0,0,0|0,0,1]=3 34 B13R1.133 c1cc(ccc1C[C@H](C(=O)[O-])N)[O-] CHEBI:32774 [2,0,0,0,0,0|0,0,2]=4 35 B13R1.133 c1cc(ccc1C[C@H](C(=O)[O-])O)O CHEBI:10980 [2,0,0,0,0,0|1,0,1]=4 36 B13R1.133 c1cc(ccc1C[C@H](C(=O)[O-])[NH3+])O CHEBI:58570 [2,0,0,0,0,0|0,0,2]=4 37 B15R1.10390 CCOC(=O)\C=C\c1ccc(c(c1)O)O CHEBI:132714 [1,1,0,0,0,0|0,0,2]=4 38 B17R1.1121 c1cc(ccc1C[C@@H](C(=O)NCC(=O)O)N)O CHEBI:74990 [0,2,0,0,0,0|1,0,1]=4 39 B13R1.47 CCOC(=O)C(=O)c1ccccc1 CHEBI:84260 [1,0,0,0,1,0|1,0,1]=4 40 B13R1.47 CCOC(=O)C(c1ccccc1)O CHEBI:38750 [1,0,0,0,1,0|1,0,0]=3 41 B13R1.47 CCOC(=O)[C@@H](c1ccccc1)O CHEBI:78406 [1,0,0,0,1,0|1,0,0]=3 42 B13R1.47 CCOC(=O)[C@H](c1ccccc1)O CHEBI:78405 [1,0,0,0,1,0|1,0,0]=3