pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
12.57	IUPAC digitized pKa	0	-1	Nc1cccnc1O	Nc1cccnc1[O-]	mol6369	Nc1cccnc1O
12.5699996948242	QSARToolbox	0	-1	Nc1cccnc1O	Nc1cccnc1[O-]	mol6369	Nc1cccnc1O
2.78	IUPAC digitized pKa	1	0	Nc1ccc[nH+]c1O,[NH3+]c1cccnc1O	Nc1cccnc1O	mol6369	Nc1cccnc1O
2.77999997138977	QSARToolbox	1	0	Nc1ccc[nH+]c1O,[NH3+]c1cccnc1O	Nc1cccnc1O	mol6369	Nc1cccnc1O
-3.59999990463257	QSARToolbox	2	1	[NH3+]c1ccc[nH+]c1O	Nc1ccc[nH+]c1O,[NH3+]c1cccnc1O	mol6369	Nc1cccnc1O