pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.42000007629395	QSARToolbox	0	-1	C[C@H](SCCS[C@H](C)C(=O)O)C(=O)O	C[C@H](SCCS[C@H](C)C(=O)[O-])C(=O)O	mol34891	CC(SCCSC(C)C(=O)O)C(=O)O
4.40999984741211	QSARToolbox	0	-1	C[C@H](SCCS[C@H](C)C(=O)O)C(=O)O	C[C@H](SCCS[C@H](C)C(=O)[O-])C(=O)O	mol34891	CC(SCCSC(C)C(=O)O)C(=O)O