pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.0999999	OCHEM	1	0	CC(=CC=C[C@@H](C)C(O)=[OH+])[C@@H]1CN[C@H](C(=O)O)[C@@H]1CC(=O)O,CC(=CC=C[C@@H](C)C(=O)O)[C@@H]1C[NH2+][C@H](C(=O)O)[C@@H]1CC(=O)O,CC(=CC=C[C@@H](C)C(=O)O)[C@@H]1CN[C@H](C(=O)O)[C@@H]1CC(O)=[OH+]	CC(=CC=C[C@@H](C)C(=O)[O-])[C@@H]1C[NH2+][C@H](C(=O)O)[C@@H]1CC(=O)O,CC(=CC=C[C@@H](C)C(=O)O)[C@@H]1C[NH2+][C@H](C(=O)[O-])[C@@H]1CC(=O)O	mol32489	CC(=CC=CC(C)C(=O)O)C1CNC(C(=O)O)C1CC(=O)O
9.8199997	OCHEM	-2	-3	CC(=CC=C[C@@H](C)C(=O)[O-])[C@@H]1C[NH2+][C@H](C(=O)[O-])[C@@H]1CC(=O)[O-]	CC(=CC=C[C@@H](C)C(=O)[O-])[C@@H]1CN[C@H](C(=O)[O-])[C@@H]1CC(=O)[O-]	mol32489	CC(=CC=CC(C)C(=O)O)C1CNC(C(=O)O)C1CC(=O)O