pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-9.7	OCHEM	1	0	[NH3+]c1c([N+](=O)[O-])cc([N+](=O)[O-])c(Cl)c1[N+](=O)[O-]	Nc1c([N+](=O)[O-])cc([N+](=O)[O-])c(Cl)c1[N+](=O)[O-]	mol6012	Nc1c([N+](=O)[O-])cc([N+](=O)[O-])c(Cl)c1[N+](=O)[O-]
-11.105	AttenGpKa training set	1	0	[NH3+]c1c([N+](=O)[O-])cc([N+](=O)[O-])c(Cl)c1[N+](=O)[O-]	Nc1c([N+](=O)[O-])cc([N+](=O)[O-])c(Cl)c1[N+](=O)[O-]	mol6012	Nc1c([N+](=O)[O-])cc([N+](=O)[O-])c(Cl)c1[N+](=O)[O-]