pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.4	Baltruschat ChEMBL	1	0	CCN(CCC[NH+]1CCc2cc(OC)ccc2C1)S(=O)(=O)c1ccccc1	CCN(CCCN1CCc2cc(OC)ccc2C1)S(=O)(=O)c1ccccc1	mol20759	CCN(CCCN1CCc2cc(OC)ccc2C1)S(=O)(=O)c1ccccc1