pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.51999998092651	QSARToolbox	0	-1	CCOC(=O)C(CC(=O)O)(c1ccccc1)c1ccccc1	CCOC(=O)C(CC(=O)[O-])(c1ccccc1)c1ccccc1	mol22660	CCOC(=O)C(CC(=O)O)(c1ccccc1)c1ccccc1
4.52	AttenGpKa training set	0	-1	CCOC(=O)C(CC(=O)O)(c1ccccc1)c1ccccc1	CCOC(=O)C(CC(=O)[O-])(c1ccccc1)c1ccccc1	mol22660	CCOC(=O)C(CC(=O)O)(c1ccccc1)c1ccccc1