pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.3	IUPAC digitized pKa	0	-1	O[C@@H](CS)[C@@H](O)CS	O[C@@H](C[S-])[C@@H](O)CS	mol9246	OC(CS)C(O)CS
9.0	QSARToolbox	0	-1	O[C@@H](CS)[C@@H](O)CS	O[C@@H](C[S-])[C@@H](O)CS	mol9246	OC(CS)C(O)CS
9.5	IUPAC digitized pKa	-1	-2	O[C@@H](C[S-])[C@@H](O)CS	O[C@@H](C[S-])[C@@H](O)C[S-]	mol9246	OC(CS)C(O)CS
9.78999996185303	QSARToolbox	-1	-2	O[C@@H](C[S-])[C@@H](O)CS	O[C@@H](C[S-])[C@@H](O)C[S-]	mol9246	OC(CS)C(O)CS
9.26000022888184	QSARToolbox	-1	-2	O[C@@H](C[S-])[C@@H](O)CS	O[C@@H](C[S-])[C@@H](O)C[S-]	mol9246	OC(CS)C(O)CS