pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.03	IUPAC digitized pKa	0	-1	COC(=O)CS	COC(=O)C[S-]	mol691	COC(=O)CS
7.68	IUPAC digitized pKa	0	-1	COC(=O)CS	COC(=O)C[S-]	mol691	COC(=O)CS
7.57	Datawarrior	0	-1	COC(=O)CS	COC(=O)C[S-]	mol691	COC(=O)CS
7.5700002	OCHEM	0	-1	COC(=O)CS	COC(=O)C[S-]	mol691	COC(=O)CS
8.08	OCHEM	0	-1	COC(=O)CS	COC(=O)C[S-]	mol691	COC(=O)CS
7.8899998664856	QSARToolbox	0	-1	COC(=O)CS	COC(=O)C[S-]	mol691	COC(=O)CS
7.80000019073486	QSARToolbox	0	-1	COC(=O)CS	COC(=O)C[S-]	mol691	COC(=O)CS
8.82999992370606	QSARToolbox	0	-1	COC(=O)CS	COC(=O)C[S-]	mol691	COC(=O)CS
7.73999977111816	QSARToolbox	0	-1	COC(=O)CS	COC(=O)C[S-]	mol691	COC(=O)CS
7.57000017166138	QSARToolbox	0	-1	COC(=O)CS	COC(=O)C[S-]	mol691	COC(=O)CS
7.91	AttenGpKa training set	0	-1	COC(=O)CS	COC(=O)C[S-]	mol691	COC(=O)CS