pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
13.06	IUPAC digitized pKa	0	-1	CCOC(=O)[C@H](C)C(=O)CC	CCOC(=O)[C-](C)C(=O)CC	mol10468	CCOC(=O)C(C)C(=O)CC
13.0	AttenGpKa training set	0	-1	CCOC(=O)[C@H](C)C(=O)CC	CCOC(=O)[C-](C)C(=O)CC	mol10468	CCOC(=O)C(C)C(=O)CC