pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.80000019073486	QSARToolbox	0	-1	COc1cccc(NC(=N)N[N+](=O)[O-])c1	COc1cccc(NC(=N)[N-][N+](=O)[O-])c1	mol28075	COc1cccc(NC(=N)N[N+](=O)[O-])c1
9.8	AttenGpKa training set	0	-1	COc1cccc(NC(=N)N[N+](=O)[O-])c1	COc1cccc(NC(=N)[N-][N+](=O)[O-])c1	mol28075	COc1cccc(NC(=N)N[N+](=O)[O-])c1