pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.6	Baltruschat ChEMBL	1	0	C[NH+]1CCN([C@@H](C#N)c2ccc3c(c2)OCO3)CC1	CN1CCN([C@@H](C#N)c2ccc3c(c2)OCO3)CC1	mol16348	CN1CCN(C(C#N)c2ccc3c(c2)OCO3)CC1