pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.46	IUPAC digitized pKa	0	-1	CC[C@@](CC(=O)O)(C(=O)OC)c1ccccc1	CC[C@@](CC(=O)[O-])(C(=O)OC)c1ccccc1	mol11830	CCC(CC(=O)O)(C(=O)OC)c1ccccc1
4.46000003814697	QSARToolbox	0	-1	CC[C@@](CC(=O)O)(C(=O)OC)c1ccccc1	CC[C@@](CC(=O)[O-])(C(=O)OC)c1ccccc1	mol11830	CCC(CC(=O)O)(C(=O)OC)c1ccccc1