pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.8500003814697	QSARToolbox	0	-1	Cc1ccc(NC(=N)N[N+](=O)[O-])cc1	Cc1ccc(NC(=[N-])N[N+](=O)[O-])cc1,Cc1ccc(NC(=N)[N-][N+](=O)[O-])cc1	mol28057	Cc1ccc(NC(=N)N[N+](=O)[O-])cc1
10.85	AttenGpKa training set	0	-1	Cc1ccc(NC(=N)N[N+](=O)[O-])cc1	Cc1ccc(NC(=[N-])N[N+](=O)[O-])cc1,Cc1ccc(NC(=N)[N-][N+](=O)[O-])cc1	mol28057	Cc1ccc(NC(=N)N[N+](=O)[O-])cc1