pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.4	IUPAC digitized pKa	0	-1	COc1cc[n+]([O-])c(C(=O)O)c1	COc1cc[n+]([O-])c(C(=O)[O-])c1	mol10167	COc1cc[n+]([O-])c(C(=O)O)c1
4.15000009536743	QSARToolbox	0	-1	COc1cc[n+]([O-])c(C(=O)O)c1	COc1cc[n+]([O-])c(C(=O)[O-])c1	mol10167	COc1cc[n+]([O-])c(C(=O)O)c1
3.69	AttenGpKa training set	0	-1	COc1cc[n+]([O-])c(C(=O)O)c1	COc1cc[n+]([O-])c(C(=O)[O-])c1	mol10167	COc1cc[n+]([O-])c(C(=O)O)c1