pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-4.46	OCHEM	1	0	CSc1cc([N+](=O)[O-])c([NH3+])c([N+](=O)[O-])c1	CSc1cc([N+](=O)[O-])c(N)c([N+](=O)[O-])c1	mol6059	CSc1cc([N+](=O)[O-])c(N)c([N+](=O)[O-])c1
-4.46000003814697	QSARToolbox	1	0	CSc1cc([N+](=O)[O-])c([NH3+])c([N+](=O)[O-])c1	CSc1cc([N+](=O)[O-])c(N)c([N+](=O)[O-])c1	mol6059	CSc1cc([N+](=O)[O-])c(N)c([N+](=O)[O-])c1