pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.33	AttenGpKa training set	0	-1	O=[N+]([O-])NCCN[N+](=O)[O-]	O=[N+]([O-])[N-]CCN[N+](=O)[O-]	mol27863	O=[N+]([O-])NCCN[N+](=O)[O-]