pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.2	Baltruschat ChEMBL	0	-1	O=[N+]([O-])c1c[nH]cn1	O=[N+]([O-])c1c[n-]cn1	mol3919	O=[N+]([O-])c1c[nH]cn1
9.0	Baltruschat ChEMBL	0	-1	O=[N+]([O-])c1c[nH]cn1	O=[N+]([O-])c1c[n-]cn1	mol3919	O=[N+]([O-])c1c[nH]cn1
9.30000019073486	QSARToolbox	0	-1	O=[N+]([O-])c1c[nH]cn1	O=[N+]([O-])c1c[n-]cn1	mol3919	O=[N+]([O-])c1c[nH]cn1
9.3	AttenGpKa training set	0	-1	O=[N+]([O-])c1c[nH]cn1	O=[N+]([O-])c1c[n-]cn1	mol3919	O=[N+]([O-])c1c[nH]cn1
-0.05	Organic Oxygen Acids and Nitrogen Bases	1	0	O=[N+]([O-])c1c[nH]c[nH+]1	O=[N+]([O-])c1c[nH]cn1	mol3919	O=[N+]([O-])c1c[nH]cn1
-0.5	QSARToolbox	1	0	O=[N+]([O-])c1c[nH]c[nH+]1	O=[N+]([O-])c1c[nH]cn1	mol3919	O=[N+]([O-])c1c[nH]cn1