pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.31	IUPAC digitized pKa	0	-1	COc1ccc(C(=O)O)c(O)c1	COc1ccc(C(=O)[O-])c(O)c1	mol10414	COc1ccc(C(=O)O)c(O)c1
3.30999994277954	QSARToolbox	0	-1	COc1ccc(C(=O)O)c(O)c1	COc1ccc(C(=O)[O-])c(O)c1	mol10414	COc1ccc(C(=O)O)c(O)c1
3.00999999046326	QSARToolbox	0	-1	COc1ccc(C(=O)O)c(O)c1	COc1ccc(C(=O)[O-])c(O)c1	mol10414	COc1ccc(C(=O)O)c(O)c1
3.25	AttenGpKa training set	0	-1	COc1ccc(C(=O)O)c(O)c1	COc1ccc(C(=O)[O-])c(O)c1	mol10414	COc1ccc(C(=O)O)c(O)c1