pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.78	AttenGpKa training set	0	-1	CN(O)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	CN([O-])C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	mol31454	CN(O)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1