pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
13.9799995422363	QSARToolbox	0	-1	COC(=O)CS[C@H](C)O	COC(=O)CS[C@H](C)[O-]	mol31160	COC(=O)CSC(C)O