pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.6	IUPAC digitized pKa	1	0	CC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C	CC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C	mol11162	CC(=O)OC(CC(=O)O)C[N+](C)(C)C
3.59999990463257	QSARToolbox	1	0	CC(=O)O[C@@H](CC(=O)O)C[N+](C)(C)C	CC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C	mol11162	CC(=O)OC(CC(=O)O)C[N+](C)(C)C