pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.3	OCHEM	0	-1	O=C([O-])[C@@H]1CC(O)C[C@@H](C(=O)O)[NH2+]1	O=C([O-])[C@@H]1CC(O)C[C@@H](C(=O)[O-])[NH2+]1	mol33248	O=C(O)C1CC(O)CC(C(=O)O)N1
3.18	OCHEM	1	0	O=C(O)[C@@H]1CC(O)C[C@@H](C(O)=[OH+])N1,O=C(O)[C@@H]1CC(O)C[C@@H](C(=O)O)[NH2+]1	O=C([O-])[C@@H]1CC(O)C[C@@H](C(=O)O)[NH2+]1	mol33248	O=C(O)C1CC(O)CC(C(=O)O)N1