pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.72	Datawarrior	1	0	COc1ccc([N+](=O)[O-])c(C[NH3+])c1	COc1ccc([N+](=O)[O-])c(CN)c1	mol13899	COc1ccc([N+](=O)[O-])c(CN)c1
8.7200003	OCHEM	1	0	COc1ccc([N+](=O)[O-])c(C[NH3+])c1	COc1ccc([N+](=O)[O-])c(CN)c1	mol13899	COc1ccc([N+](=O)[O-])c(CN)c1
8.72000026702881	QSARToolbox	1	0	COc1ccc([N+](=O)[O-])c(C[NH3+])c1	COc1ccc([N+](=O)[O-])c(CN)c1	mol13899	COc1ccc([N+](=O)[O-])c(CN)c1