pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.4	IUPAC digitized pKa	0	-1	Nc1nc(O)ncc1[N+](=O)[O-]	Nc1nc([O-])ncc1[N+](=O)[O-]	mol4091	Nc1nc(O)ncc1[N+](=O)[O-]
7.43	IUPAC digitized pKa	0	-1	Nc1nc(O)ncc1[N+](=O)[O-]	Nc1nc([O-])ncc1[N+](=O)[O-]	mol4091	Nc1nc(O)ncc1[N+](=O)[O-]
7.40000009536743	QSARToolbox	0	-1	Nc1nc(O)ncc1[N+](=O)[O-]	Nc1nc([O-])ncc1[N+](=O)[O-]	mol4091	Nc1nc(O)ncc1[N+](=O)[O-]
7.34	AttenGpKa training set	0	-1	Nc1nc(O)ncc1[N+](=O)[O-]	Nc1nc([O-])ncc1[N+](=O)[O-]	mol4091	Nc1nc(O)ncc1[N+](=O)[O-]
3.0	QSARToolbox	1	0	Nc1[nH+]c(O)ncc1[N+](=O)[O-],Nc1nc(O)[nH+]cc1[N+](=O)[O-],[NH3+]c1nc(O)ncc1[N+](=O)[O-]	Nc1nc(O)ncc1[N+](=O)[O-]	mol4091	Nc1nc(O)ncc1[N+](=O)[O-]