pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.34	Baltruschat ChEMBL	2	1	C[NH+](C)CCC[NH+](C)Cc1no[n+]([O-])c1C#N	CN(C)CCC[NH+](C)Cc1no[n+]([O-])c1C#N,CN(CCC[NH+](C)C)Cc1no[n+]([O-])c1C#N	mol16762	CN(C)CCCN(C)Cc1no[n+]([O-])c1C#N