pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.59000015258789	QSARToolbox	0	-1	CC[NH+](CC)c1cccc(S(=O)(=O)[O-])c1	CCN(CC)c1cccc(S(=O)(=O)[O-])c1	mol33754	CCN(CC)c1cccc(S(=O)(=O)O)c1