pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.76	Hunt	1	0	[NH3+]c1ccc(-c2ccccc2)cc1[N+](=O)[O-]	Nc1ccc(-c2ccccc2)cc1[N+](=O)[O-]	mol1711	Nc1ccc(-c2ccccc2)cc1[N+](=O)[O-]
-0.82	OCHEM	1	0	[NH3+]c1ccc(-c2ccccc2)cc1[N+](=O)[O-]	Nc1ccc(-c2ccccc2)cc1[N+](=O)[O-]	mol1711	Nc1ccc(-c2ccccc2)cc1[N+](=O)[O-]
-0.759999990463257	QSARToolbox	1	0	[NH3+]c1ccc(-c2ccccc2)cc1[N+](=O)[O-]	Nc1ccc(-c2ccccc2)cc1[N+](=O)[O-]	mol1711	Nc1ccc(-c2ccccc2)cc1[N+](=O)[O-]
-0.879999995231628	QSARToolbox	1	0	[NH3+]c1ccc(-c2ccccc2)cc1[N+](=O)[O-]	Nc1ccc(-c2ccccc2)cc1[N+](=O)[O-]	mol1711	Nc1ccc(-c2ccccc2)cc1[N+](=O)[O-]