pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.35	Baltruschat ChEMBL	1	0	CC(C)[NH+](Cc1no[n+]([O-])c1C#N)C(C)C	CC(C)N(Cc1no[n+]([O-])c1C#N)C(C)C	mol16764	CC(C)N(Cc1no[n+]([O-])c1C#N)C(C)C