pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.5	IUPAC digitized pKa	0	-1	Nc1ccc(O)c(N)c1	Nc1ccc([O-])c(N)c1	mol3323	Nc1ccc(O)c(N)c1
10.4	Datawarrior	0	-1	Nc1ccc(O)c(N)c1	Nc1ccc([O-])c(N)c1	mol3323	Nc1ccc(O)c(N)c1
10.3000001907349	QSARToolbox	0	-1	Nc1ccc(O)c(N)c1	Nc1ccc([O-])c(N)c1	mol3323	Nc1ccc(O)c(N)c1
5.7	IUPAC digitized pKa	1	0	Nc1cc([NH3+])ccc1O,Nc1ccc(O)c([NH3+])c1	Nc1ccc(O)c(N)c1	mol3323	Nc1ccc(O)c(N)c1
5.6999998	OCHEM	1	0	Nc1cc([NH3+])ccc1O,Nc1ccc(O)c([NH3+])c1	Nc1ccc(O)c(N)c1	mol3323	Nc1ccc(O)c(N)c1
5.69999980926514	QSARToolbox	1	0	Nc1cc([NH3+])ccc1O,Nc1ccc(O)c([NH3+])c1	Nc1ccc(O)c(N)c1	mol3323	Nc1ccc(O)c(N)c1
3.1	IUPAC digitized pKa	2	1	[NH3+]c1ccc(O)c([NH3+])c1	Nc1cc([NH3+])ccc1O,Nc1ccc(O)c([NH3+])c1	mol3323	Nc1ccc(O)c(N)c1
3.05	Datawarrior	2	1	[NH3+]c1ccc(O)c([NH3+])c1	Nc1cc([NH3+])ccc1O,Nc1ccc(O)c([NH3+])c1	mol3323	Nc1ccc(O)c(N)c1
3.09999990463257	QSARToolbox	2	1	[NH3+]c1ccc(O)c([NH3+])c1	Nc1cc([NH3+])ccc1O,Nc1ccc(O)c([NH3+])c1	mol3323	Nc1ccc(O)c(N)c1
3.0	QSARToolbox	2	1	[NH3+]c1ccc(O)c([NH3+])c1	Nc1cc([NH3+])ccc1O,Nc1ccc(O)c([NH3+])c1	mol3323	Nc1ccc(O)c(N)c1
1.5	QSARToolbox	2	1	[NH3+]c1ccc(O)c([NH3+])c1	Nc1cc([NH3+])ccc1O,Nc1ccc(O)c([NH3+])c1	mol3323	Nc1ccc(O)c(N)c1