pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.5	AttenGpKa training set	0	-1	O=C(O)CNC(=O)c1ccc([N+](=O)[O-])cc1	O=C([O-])CNC(=O)c1ccc([N+](=O)[O-])cc1	mol29369	O=C(O)CNC(=O)c1ccc([N+](=O)[O-])cc1