pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.7	Baltruschat ChEMBL	1	0	COc1ccc([C@@H](C#N)N2CC[NH+](C)CC2)cc1O	COc1ccc([C@@H](C#N)N2CCN(C)CC2)cc1O	mol16356	COc1ccc(C(C#N)N2CCN(C)CC2)cc1O