pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.9	OCHEM	-1	-2	CC(=O)N[C@H](C(=O)[O-])C(C)(C)S	CC(=O)N[C@H](C(=O)[O-])C(C)(C)[S-]	mol694	CC(=O)N[C@H](C(=O)O)C(C)(C)S
9.89999961853027	QSARToolbox	-1	-2	CC(=O)N[C@H](C(=O)[O-])C(C)(C)S	CC(=O)N[C@H](C(=O)[O-])C(C)(C)[S-]	mol694	CC(=O)N[C@H](C(=O)O)C(C)(C)S