pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.29	OCHEM	1	0	CSc1ccc([N+](=O)[O-])c[nH+]1	CSc1ccc([N+](=O)[O-])cn1	mol6531	CSc1ccc([N+](=O)[O-])cn1
-0.28999999165535	QSARToolbox	1	0	CSc1ccc([N+](=O)[O-])c[nH+]1	CSc1ccc([N+](=O)[O-])cn1	mol6531	CSc1ccc([N+](=O)[O-])cn1