pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.58	Baltruschat ChEMBL	1	0	CC[NH+](Cc1ccccc1)Cc1no[n+]([O-])c1C#N	CCN(Cc1ccccc1)Cc1no[n+]([O-])c1C#N	mol16761	CCN(Cc1ccccc1)Cc1no[n+]([O-])c1C#N