pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.65	Datawarrior	2	1	[NH3+]CC[n+]1ccc2c([N+](=O)[O-])cccc2c1	NCC[n+]1ccc2c([N+](=O)[O-])cccc2c1	mol14596	NCC[n+]1ccc2c([N+](=O)[O-])cccc2c1
6.6500001	OCHEM	2	1	[NH3+]CC[n+]1ccc2c([N+](=O)[O-])cccc2c1	NCC[n+]1ccc2c([N+](=O)[O-])cccc2c1	mol14596	NCC[n+]1ccc2c([N+](=O)[O-])cccc2c1
6.65000009536743	QSARToolbox	2	1	[NH3+]CC[n+]1ccc2c([N+](=O)[O-])cccc2c1	NCC[n+]1ccc2c([N+](=O)[O-])cccc2c1	mol14596	NCC[n+]1ccc2c([N+](=O)[O-])cccc2c1