pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.76	Datawarrior	0	-1	CS[C@@H](C)C(=O)O	CS[C@@H](C)C(=O)[O-]	mol15944	CSC(C)C(=O)O
3.75999999046326	QSARToolbox	0	-1	CS[C@@H](C)C(=O)O	CS[C@@H](C)C(=O)[O-]	mol15944	CSC(C)C(=O)O
3.7	AttenGpKa training set	0	-1	CS[C@@H](C)C(=O)O	CS[C@@H](C)C(=O)[O-]	mol15944	CSC(C)C(=O)O