pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.38000011444092	QSARToolbox	0	-1	O=S(=O)([O-])CC[NH2+]C1CCCCC1	O=S(=O)([O-])CCNC1CCCCC1	mol24407	O=S(=O)(O)CCNC1CCCCC1
9.55000019073486	QSARToolbox	0	-1	O=S(=O)([O-])CC[NH2+]C1CCCCC1	O=S(=O)([O-])CCNC1CCCCC1	mol24407	O=S(=O)(O)CCNC1CCCCC1
9.465	AttenGpKa training set	0	-1	O=S(=O)([O-])CC[NH2+]C1CCCCC1	O=S(=O)([O-])CCNC1CCCCC1	mol24407	O=S(=O)(O)CCNC1CCCCC1
9.3	AttenGpKa training set	0	-1	O=S(=O)([O-])CC[NH2+]C1CCCCC1	O=S(=O)([O-])CCNC1CCCCC1	mol24407	O=S(=O)(O)CCNC1CCCCC1