pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.25	IUPAC digitized pKa	0	-1	O=C(O)CSCCCSCC(=O)O	O=C([O-])CSCCCSCC(=O)O	mol10251	O=C(O)CSCCCSCC(=O)O
3.74	OCHEM	0	-1	O=C(O)CSCCCSCC(=O)O	O=C([O-])CSCCCSCC(=O)O	mol10251	O=C(O)CSCCCSCC(=O)O
3.44000005722046	QSARToolbox	0	-1	O=C(O)CSCCCSCC(=O)O	O=C([O-])CSCCCSCC(=O)O	mol10251	O=C(O)CSCCCSCC(=O)O
4.38000011444092	QSARToolbox	0	-1	O=C(O)CSCCCSCC(=O)O	O=C([O-])CSCCCSCC(=O)O	mol10251	O=C(O)CSCCCSCC(=O)O
3.44	IUPAC digitized pKa	-1	-2	O=C([O-])CSCCCSCC(=O)O	O=C([O-])CSCCCSCC(=O)[O-]	mol10251	O=C(O)CSCCCSCC(=O)O