pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-8.56	IUPAC digitized pKa	1	0	Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c([NH3+])c1[N+](=O)[O-]	Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(N)c1[N+](=O)[O-]	mol6061	Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(N)c1[N+](=O)[O-]
-8.08	OCHEM	1	0	Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c([NH3+])c1[N+](=O)[O-]	Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(N)c1[N+](=O)[O-]	mol6061	Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(N)c1[N+](=O)[O-]
-9.365	AttenGpKa training set	1	0	Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c([NH3+])c1[N+](=O)[O-]	Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(N)c1[N+](=O)[O-]	mol6061	Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(N)c1[N+](=O)[O-]