pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.42	Organic Oxygen Acids and Nitrogen Bases	0	-1	CC(C)(C)c1ccc(CC(=O)O)cc1	CC(C)(C)c1ccc(CC(=O)[O-])cc1	mol2090	CC(C)(C)c1ccc(CC(=O)O)cc1
4.42000007629395	QSARToolbox	0	-1	CC(C)(C)c1ccc(CC(=O)O)cc1	CC(C)(C)c1ccc(CC(=O)[O-])cc1	mol2090	CC(C)(C)c1ccc(CC(=O)O)cc1
4.395	AttenGpKa training set	0	-1	CC(C)(C)c1ccc(CC(=O)O)cc1	CC(C)(C)c1ccc(CC(=O)[O-])cc1	mol2090	CC(C)(C)c1ccc(CC(=O)O)cc1