pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.19	IUPAC digitized pKa	0	-1	Oc1cccc(O)n1	[O-]c1cccc(O)n1	mol6466	Oc1cccc(O)n1
4.51999998092651	QSARToolbox	0	-1	Oc1cccc(O)n1	[O-]c1cccc(O)n1	mol6466	Oc1cccc(O)n1
4.4	AttenGpKa training set	0	-1	Oc1cccc(O)n1	[O-]c1cccc(O)n1	mol6466	Oc1cccc(O)n1
1.0	QSARToolbox	1	0	Oc1cccc(O)[nH+]1	Oc1cccc(O)n1	mol6466	Oc1cccc(O)n1
15.0	QSARToolbox	-1	-2	[O-]c1cccc(O)n1	[O-]c1cccc([O-])n1	mol6466	Oc1cccc(O)n1