pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.39	IUPAC digitized pKa	0	-1	Oc1ccc2cncnc2c1	[O-]c1ccc2cncnc2c1	mol2158	Oc1ccc2cncnc2c1
7.3899998664856	QSARToolbox	0	-1	Oc1ccc2cncnc2c1	[O-]c1ccc2cncnc2c1	mol2158	Oc1ccc2cncnc2c1
7.37	AttenGpKa training set	0	-1	Oc1ccc2cncnc2c1	[O-]c1ccc2cncnc2c1	mol2158	Oc1ccc2cncnc2c1
3.2	IUPAC digitized pKa	1	0	Oc1ccc2cnc[nH+]c2c1,Oc1ccc2c[nH+]cnc2c1	Oc1ccc2cncnc2c1	mol2158	Oc1ccc2cncnc2c1
3.20000004768372	QSARToolbox	1	0	Oc1ccc2cnc[nH+]c2c1,Oc1ccc2c[nH+]cnc2c1	Oc1ccc2cncnc2c1	mol2158	Oc1ccc2cncnc2c1
3.22	AttenGpKa training set	1	0	Oc1ccc2cnc[nH+]c2c1,Oc1ccc2c[nH+]cnc2c1	Oc1ccc2cncnc2c1	mol2158	Oc1ccc2cncnc2c1