pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.409	IUPAC digitized pKa	0	-1	Cc1ccc([N+](=O)[O-])c(O)c1	Cc1ccc([N+](=O)[O-])c([O-])c1	mol2013	Cc1ccc([N+](=O)[O-])c(O)c1
7.25	IUPAC digitized pKa	0	-1	Cc1ccc([N+](=O)[O-])c(O)c1	Cc1ccc([N+](=O)[O-])c([O-])c1	mol2013	Cc1ccc([N+](=O)[O-])c(O)c1
7.671	IUPAC digitized pKa	0	-1	Cc1ccc([N+](=O)[O-])c(O)c1	Cc1ccc([N+](=O)[O-])c([O-])c1	mol2013	Cc1ccc([N+](=O)[O-])c(O)c1
7.596	IUPAC digitized pKa	0	-1	Cc1ccc([N+](=O)[O-])c(O)c1	Cc1ccc([N+](=O)[O-])c([O-])c1	mol2013	Cc1ccc([N+](=O)[O-])c(O)c1
7.525	IUPAC digitized pKa	0	-1	Cc1ccc([N+](=O)[O-])c(O)c1	Cc1ccc([N+](=O)[O-])c([O-])c1	mol2013	Cc1ccc([N+](=O)[O-])c(O)c1
7.466	IUPAC digitized pKa	0	-1	Cc1ccc([N+](=O)[O-])c(O)c1	Cc1ccc([N+](=O)[O-])c([O-])c1	mol2013	Cc1ccc([N+](=O)[O-])c(O)c1
7.354	IUPAC digitized pKa	0	-1	Cc1ccc([N+](=O)[O-])c(O)c1	Cc1ccc([N+](=O)[O-])c([O-])c1	mol2013	Cc1ccc([N+](=O)[O-])c(O)c1
7.303	IUPAC digitized pKa	0	-1	Cc1ccc([N+](=O)[O-])c(O)c1	Cc1ccc([N+](=O)[O-])c([O-])c1	mol2013	Cc1ccc([N+](=O)[O-])c(O)c1
7.257	IUPAC digitized pKa	0	-1	Cc1ccc([N+](=O)[O-])c(O)c1	Cc1ccc([N+](=O)[O-])c([O-])c1	mol2013	Cc1ccc([N+](=O)[O-])c(O)c1
7.215	IUPAC digitized pKa	0	-1	Cc1ccc([N+](=O)[O-])c(O)c1	Cc1ccc([N+](=O)[O-])c([O-])c1	mol2013	Cc1ccc([N+](=O)[O-])c(O)c1
7.176	IUPAC digitized pKa	0	-1	Cc1ccc([N+](=O)[O-])c(O)c1	Cc1ccc([N+](=O)[O-])c([O-])c1	mol2013	Cc1ccc([N+](=O)[O-])c(O)c1
7.133	IUPAC digitized pKa	0	-1	Cc1ccc([N+](=O)[O-])c(O)c1	Cc1ccc([N+](=O)[O-])c([O-])c1	mol2013	Cc1ccc([N+](=O)[O-])c(O)c1
7.099	IUPAC digitized pKa	0	-1	Cc1ccc([N+](=O)[O-])c(O)c1	Cc1ccc([N+](=O)[O-])c([O-])c1	mol2013	Cc1ccc([N+](=O)[O-])c(O)c1
7.41	Organic Oxygen Acids and Nitrogen Bases	0	-1	Cc1ccc([N+](=O)[O-])c(O)c1	Cc1ccc([N+](=O)[O-])c([O-])c1	mol2013	Cc1ccc([N+](=O)[O-])c(O)c1
7.33	OCHEM	0	-1	Cc1ccc([N+](=O)[O-])c(O)c1	Cc1ccc([N+](=O)[O-])c([O-])c1	mol2013	Cc1ccc([N+](=O)[O-])c(O)c1
7.45	OCHEM	0	-1	Cc1ccc([N+](=O)[O-])c(O)c1	Cc1ccc([N+](=O)[O-])c([O-])c1	mol2013	Cc1ccc([N+](=O)[O-])c(O)c1
7.4	OCHEM	0	-1	Cc1ccc([N+](=O)[O-])c(O)c1	Cc1ccc([N+](=O)[O-])c([O-])c1	mol2013	Cc1ccc([N+](=O)[O-])c(O)c1
7.40999984741211	QSARToolbox	0	-1	Cc1ccc([N+](=O)[O-])c(O)c1	Cc1ccc([N+](=O)[O-])c([O-])c1	mol2013	Cc1ccc([N+](=O)[O-])c(O)c1
7.32000017166138	QSARToolbox	0	-1	Cc1ccc([N+](=O)[O-])c(O)c1	Cc1ccc([N+](=O)[O-])c([O-])c1	mol2013	Cc1ccc([N+](=O)[O-])c(O)c1