pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.71	IUPAC digitized pKa	0	-1	Oc1ccc(O)nn1	[O-]c1ccc(O)nn1	mol2453	Oc1ccc(O)nn1
5.67	IUPAC digitized pKa	0	-1	Oc1ccc(O)nn1	[O-]c1ccc(O)nn1	mol2453	Oc1ccc(O)nn1
5.73	Datawarrior	0	-1	Oc1ccc(O)nn1	[O-]c1ccc(O)nn1	mol2453	Oc1ccc(O)nn1
5.76000022888184	QSARToolbox	0	-1	Oc1ccc(O)nn1	[O-]c1ccc(O)nn1	mol2453	Oc1ccc(O)nn1
5.65000009536743	QSARToolbox	0	-1	Oc1ccc(O)nn1	[O-]c1ccc(O)nn1	mol2453	Oc1ccc(O)nn1
5.17000007629395	QSARToolbox	0	-1	Oc1ccc(O)nn1	[O-]c1ccc(O)nn1	mol2453	Oc1ccc(O)nn1
5.653333333	AttenGpKa training set	0	-1	Oc1ccc(O)nn1	[O-]c1ccc(O)nn1	mol2453	Oc1ccc(O)nn1
-2.2	Datawarrior	1	0	Oc1ccc(O)[nH+]n1	Oc1ccc(O)nn1	mol2453	Oc1ccc(O)nn1
2.20000004768372	QSARToolbox	1	0	Oc1ccc(O)[nH+]n1	Oc1ccc(O)nn1	mol2453	Oc1ccc(O)nn1
13.3	IUPAC digitized pKa	-1	-2	[O-]c1ccc(O)nn1	[O-]c1ccc([O-])nn1	mol2453	Oc1ccc(O)nn1
13.0	Datawarrior	-1	-2	[O-]c1ccc(O)nn1	[O-]c1ccc([O-])nn1	mol2453	Oc1ccc(O)nn1