pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.33	Datawarrior	0	-1	COC(=O)CCS	COC(=O)CC[S-]	mol15940	COC(=O)CCS
9.3299999	OCHEM	0	-1	COC(=O)CCS	COC(=O)CC[S-]	mol15940	COC(=O)CCS
9.32999992370606	QSARToolbox	0	-1	COC(=O)CCS	COC(=O)CC[S-]	mol15940	COC(=O)CCS
10.3999996185303	QSARToolbox	0	-1	COC(=O)CCS	COC(=O)CC[S-]	mol15940	COC(=O)CCS