pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.89	IUPAC digitized pKa	0	-1	CCC(CC(=O)O)(CC(=O)O)c1ccccc1	CCC(CC(=O)[O-])(CC(=O)O)c1ccccc1	mol11829	CCC(CC(=O)O)(CC(=O)O)c1ccccc1
3.49	AttenGpKa training set	0	-1	CCC(CC(=O)O)(CC(=O)O)c1ccccc1	CCC(CC(=O)[O-])(CC(=O)O)c1ccccc1	mol11829	CCC(CC(=O)O)(CC(=O)O)c1ccccc1
6.95	IUPAC digitized pKa	-1	-2	CCC(CC(=O)[O-])(CC(=O)O)c1ccccc1	CCC(CC(=O)[O-])(CC(=O)[O-])c1ccccc1	mol11829	CCC(CC(=O)O)(CC(=O)O)c1ccccc1