pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.47	AttenGpKa training set	0	-1	Cc1ccc(NC(=O)NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	Cc1ccc(NC(=O)[N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	mol28789	Cc1ccc(NC(=O)NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1