pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.86	IUPAC digitized pKa	0	-1	O=C(O)CCSCSCCC(=O)O	O=C([O-])CCSCSCCC(=O)O	mol10252	O=C(O)CCSCSCCC(=O)O
4.75	IUPAC digitized pKa	0	-1	O=C(O)CCSCSCCC(=O)O	O=C([O-])CCSCSCCC(=O)O	mol10252	O=C(O)CCSCSCCC(=O)O
4.69	IUPAC digitized pKa	0	-1	O=C(O)CCSCSCCC(=O)O	O=C([O-])CCSCSCCC(=O)O	mol10252	O=C(O)CCSCSCCC(=O)O
4.08	IUPAC digitized pKa	-1	-2	O=C([O-])CCSCSCCC(=O)O	O=C([O-])CCSCSCCC(=O)[O-]	mol10252	O=C(O)CCSCSCCC(=O)O
3.94	IUPAC digitized pKa	-1	-2	O=C([O-])CCSCSCCC(=O)O	O=C([O-])CCSCSCCC(=O)[O-]	mol10252	O=C(O)CCSCSCCC(=O)O
3.97	IUPAC digitized pKa	-1	-2	O=C([O-])CCSCSCCC(=O)O	O=C([O-])CCSCSCCC(=O)[O-]	mol10252	O=C(O)CCSCSCCC(=O)O