pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.98	IUPAC digitized pKa	0	-1	COc1cccc(C(=O)O)c1OC	COc1cccc(C(=O)[O-])c1OC	mol10891	COc1cccc(C(=O)O)c1OC
3.94	IUPAC digitized pKa	0	-1	COc1cccc(C(=O)O)c1OC	COc1cccc(C(=O)[O-])c1OC	mol10891	COc1cccc(C(=O)O)c1OC
3.9	IUPAC digitized pKa	0	-1	COc1cccc(C(=O)O)c1OC	COc1cccc(C(=O)[O-])c1OC	mol10891	COc1cccc(C(=O)O)c1OC
3.86	IUPAC digitized pKa	0	-1	COc1cccc(C(=O)O)c1OC	COc1cccc(C(=O)[O-])c1OC	mol10891	COc1cccc(C(=O)O)c1OC
3.98000001907349	QSARToolbox	0	-1	COc1cccc(C(=O)O)c1OC	COc1cccc(C(=O)[O-])c1OC	mol10891	COc1cccc(C(=O)O)c1OC
3.52999997138977	QSARToolbox	0	-1	COc1cccc(C(=O)O)c1OC	COc1cccc(C(=O)[O-])c1OC	mol10891	COc1cccc(C(=O)O)c1OC
3.5	QSARToolbox	0	-1	COc1cccc(C(=O)O)c1OC	COc1cccc(C(=O)[O-])c1OC	mol10891	COc1cccc(C(=O)O)c1OC
3.755	AttenGpKa training set	0	-1	COc1cccc(C(=O)O)c1OC	COc1cccc(C(=O)[O-])c1OC	mol10891	COc1cccc(C(=O)O)c1OC