pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.9	IUPAC digitized pKa	0	-1	CCOC(=O)CC(=O)OCC	CCOC(=O)[CH-]C(=O)OCC	mol10012	CCOC(=O)CC(=O)OCC
13.3000001907349	QSARToolbox	0	-1	CCOC(=O)CC(=O)OCC	CCOC(=O)[CH-]C(=O)OCC	mol10012	CCOC(=O)CC(=O)OCC
15.2200002670288	QSARToolbox	0	-1	CCOC(=O)CC(=O)OCC	CCOC(=O)[CH-]C(=O)OCC	mol10012	CCOC(=O)CC(=O)OCC
13.8	AttenGpKa training set	0	-1	CCOC(=O)CC(=O)OCC	CCOC(=O)[CH-]C(=O)OCC	mol10012	CCOC(=O)CC(=O)OCC