pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-2.41	OCHEM	1	0	[NH3+]c1c(Cl)cccc1[N+](=O)[O-]	Nc1c(Cl)cccc1[N+](=O)[O-]	mol6011	Nc1c(Cl)cccc1[N+](=O)[O-]
-2.365	OCHEM	1	0	[NH3+]c1c(Cl)cccc1[N+](=O)[O-]	Nc1c(Cl)cccc1[N+](=O)[O-]	mol6011	Nc1c(Cl)cccc1[N+](=O)[O-]
-2.23000001907349	QSARToolbox	1	0	[NH3+]c1c(Cl)cccc1[N+](=O)[O-]	Nc1c(Cl)cccc1[N+](=O)[O-]	mol6011	Nc1c(Cl)cccc1[N+](=O)[O-]
-2.43	AttenGpKa training set	1	0	[NH3+]c1c(Cl)cccc1[N+](=O)[O-]	Nc1c(Cl)cccc1[N+](=O)[O-]	mol6011	Nc1c(Cl)cccc1[N+](=O)[O-]