pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.23	IUPAC digitized pKa	0	-1	CCOC(=O)CC(=O)O	CCOC(=O)CC(=O)[O-]	mol9326	CCOC(=O)CC(=O)O
3.25	IUPAC digitized pKa	0	-1	CCOC(=O)CC(=O)O	CCOC(=O)CC(=O)[O-]	mol9326	CCOC(=O)CC(=O)O
3.31	IUPAC digitized pKa	0	-1	CCOC(=O)CC(=O)O	CCOC(=O)CC(=O)[O-]	mol9326	CCOC(=O)CC(=O)O
3.45	IUPAC digitized pKa	0	-1	CCOC(=O)CC(=O)O	CCOC(=O)CC(=O)[O-]	mol9326	CCOC(=O)CC(=O)O
3.9	IUPAC digitized pKa	0	-1	CCOC(=O)CC(=O)O	CCOC(=O)CC(=O)[O-]	mol9326	CCOC(=O)CC(=O)O
3.4	AttenGpKa training set	0	-1	CCOC(=O)CC(=O)O	CCOC(=O)CC(=O)[O-]	mol9326	CCOC(=O)CC(=O)O