pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.7	Baltruschat ChEMBL	1	0	COc1cc([C@@H](C#N)N2CC[NH+](C)CC2)ccc1O	COc1cc([C@@H](C#N)N2CCN(C)CC2)ccc1O,COc1cc([C@@H](C#N)N2CC[NH+](C)CC2)ccc1[O-]	mol16360	COc1cc(C(C#N)N2CCN(C)CC2)ccc1O