pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.19	Datawarrior	1	0	[NH3+]Cc1cc(Cl)ccc1[N+](=O)[O-]	NCc1cc(Cl)ccc1[N+](=O)[O-]	mol12604	NCc1cc(Cl)ccc1[N+](=O)[O-]
8.1899996	OCHEM	1	0	[NH3+]Cc1cc(Cl)ccc1[N+](=O)[O-]	NCc1cc(Cl)ccc1[N+](=O)[O-]	mol12604	NCc1cc(Cl)ccc1[N+](=O)[O-]
8.1899995803833	QSARToolbox	1	0	[NH3+]Cc1cc(Cl)ccc1[N+](=O)[O-]	NCc1cc(Cl)ccc1[N+](=O)[O-]	mol12604	NCc1cc(Cl)ccc1[N+](=O)[O-]