pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.97	AttenGpKa training set	0	-1	O=C(O)C#Cc1ccccc1[N+](=O)[O-]	O=C([O-])C#Cc1ccccc1[N+](=O)[O-]	mol23376	O=C(O)C#Cc1ccccc1[N+](=O)[O-]