pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.3	IUPAC digitized pKa	0	-1	Nc1ccc(O)c(N)c1O	Nc1ccc([O-])c(N)c1O,Nc1ccc(O)c(N)c1[O-]	mol3319	Nc1ccc(O)c(N)c1O
9.30000019073486	QSARToolbox	0	-1	Nc1ccc(O)c(N)c1O	Nc1ccc([O-])c(N)c1O,Nc1ccc(O)c(N)c1[O-]	mol3319	Nc1ccc(O)c(N)c1O
5.6	IUPAC digitized pKa	1	0	Nc1ccc(O)c([NH3+])c1O,Nc1c(O)ccc([NH3+])c1O	Nc1ccc(O)c(N)c1O	mol3319	Nc1ccc(O)c(N)c1O
5.59999990463257	QSARToolbox	1	0	Nc1ccc(O)c([NH3+])c1O,Nc1c(O)ccc([NH3+])c1O	Nc1ccc(O)c(N)c1O	mol3319	Nc1ccc(O)c(N)c1O
2.9	IUPAC digitized pKa	2	1	[NH3+]c1ccc(O)c([NH3+])c1O	Nc1ccc(O)c([NH3+])c1O,Nc1c(O)ccc([NH3+])c1O	mol3319	Nc1ccc(O)c(N)c1O
2.90000009536743	QSARToolbox	2	1	[NH3+]c1ccc(O)c([NH3+])c1O	Nc1ccc(O)c([NH3+])c1O,Nc1c(O)ccc([NH3+])c1O	mol3319	Nc1ccc(O)c(N)c1O
11.5	IUPAC digitized pKa	-1	-2	Nc1ccc([O-])c(N)c1O,Nc1ccc(O)c(N)c1[O-]	Nc1ccc([O-])c(N)c1[O-]	mol3319	Nc1ccc(O)c(N)c1O