pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.3	Baltruschat ChEMBL	1	0	COc1ccc([C@@H](C#N)[NH+]2CCCC2)cc1O	COc1ccc([C@@H](C#N)N2CCCC2)cc1O	mol16354	COc1ccc(C(C#N)N2CCCC2)cc1O