pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.1700001	OCHEM	0	-1	NC(=O)[C@@H]([NH3+])[C@H](O)C(=O)[O-]	NC(=O)[C@@H](N)[C@H](O)C(=O)[O-]	mol32395	NC(=O)C(N)C(O)C(=O)O
2.3099999	OCHEM	1	0	NC(=O)[C@@H]([NH3+])[C@H](O)C(=O)O	NC(=O)[C@@H]([NH3+])[C@H](O)C(=O)[O-]	mol32395	NC(=O)C(N)C(O)C(=O)O
2.30999994277954	QSARToolbox	1	0	NC(=O)[C@@H]([NH3+])[C@H](O)C(=O)O	NC(=O)[C@@H]([NH3+])[C@H](O)C(=O)[O-]	mol32395	NC(=O)C(N)C(O)C(=O)O