pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.0	IUPAC digitized pKa	0	-1	CC(=O)[C@@H](N)C(=O)OCc1ccccc1	CC(=O)[C-](N)C(=O)OCc1ccccc1	mol11593	CC(=O)C(N)C(=O)OCc1ccccc1
5.2	IUPAC digitized pKa	1	0	CC(=O)[C@@H]([NH3+])C(=O)OCc1ccccc1	CC(=O)[C@@H](N)C(=O)OCc1ccccc1	mol11593	CC(=O)C(N)C(=O)OCc1ccccc1
5.19999980926514	QSARToolbox	1	0	CC(=O)[C@@H]([NH3+])C(=O)OCc1ccccc1	CC(=O)[C@@H](N)C(=O)OCc1ccccc1	mol11593	CC(=O)C(N)C(=O)OCc1ccccc1