pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.94000005722046	QSARToolbox	0	-1	O=S(=O)([O-])CCCN1CC[NH+](CCO)CC1,O=S(=O)([O-])CCC[NH+]1CCN(CCO)CC1	O=S(=O)([O-])CCCN1CCN(CCO)CC1	mol24664	O=S(=O)(O)CCCN1CCN(CCO)CC1
7.94	AttenGpKa training set	0	-1	O=S(=O)([O-])CCCN1CC[NH+](CCO)CC1,O=S(=O)([O-])CCC[NH+]1CCN(CCO)CC1	O=S(=O)([O-])CCCN1CCN(CCO)CC1	mol24664	O=S(=O)(O)CCCN1CCN(CCO)CC1