pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.67000007629395	QSARToolbox	-1	-2	O=C([O-])[C@H]1CS[C@@H]([C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)[O-])[NH2+]1	O=C([O-])[C@H]1CS[C@@H]([C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)[O-])N1	mol37587	O=C(O)[C@H]1CS[C@@H]([C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O)N1