pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.1	Datawarrior	1	0	[NH3+]c1c2ccccc2nc2c1ccc1c([N+](=O)[O-])cccc12,Nc1c2ccccc2[nH+]c2c1ccc1c([N+](=O)[O-])cccc12	Nc1c2ccccc2nc2c1ccc1c([N+](=O)[O-])cccc12	mol15074	Nc1c2ccccc2nc2c1ccc1c([N+](=O)[O-])cccc12
7.0999999	OCHEM	1	0	[NH3+]c1c2ccccc2nc2c1ccc1c([N+](=O)[O-])cccc12,Nc1c2ccccc2[nH+]c2c1ccc1c([N+](=O)[O-])cccc12	Nc1c2ccccc2nc2c1ccc1c([N+](=O)[O-])cccc12	mol15074	Nc1c2ccccc2nc2c1ccc1c([N+](=O)[O-])cccc12
7.09999990463257	QSARToolbox	1	0	[NH3+]c1c2ccccc2nc2c1ccc1c([N+](=O)[O-])cccc12,Nc1c2ccccc2[nH+]c2c1ccc1c([N+](=O)[O-])cccc12	Nc1c2ccccc2nc2c1ccc1c([N+](=O)[O-])cccc12	mol15074	Nc1c2ccccc2nc2c1ccc1c([N+](=O)[O-])cccc12