pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.31	AttenGpKa training set	0	-1	O=[N+]([O-])NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	O=[N+]([O-])[N-]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	mol27926	O=[N+]([O-])NCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]