pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.52	IUPAC digitized pKa	1	0	[NH3+]c1cc([N+](=O)[O-])ccc1Br	Nc1cc([N+](=O)[O-])ccc1Br	mol1647	Nc1cc([N+](=O)[O-])ccc1Br
0.519999980926514	QSARToolbox	1	0	[NH3+]c1cc([N+](=O)[O-])ccc1Br	Nc1cc([N+](=O)[O-])ccc1Br	mol1647	Nc1cc([N+](=O)[O-])ccc1Br