pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.53000020980835	QSARToolbox	0	-1	O=C([O-])[C@@H]1CS[C@@H](C[C@@H](O)[C@H](O)[C@H](O)CO)[NH2+]1	O=C([O-])[C@@H]1CS[C@@H](C[C@@H](O)[C@H](O)[C@H](O)CO)N1	mol37466	O=C(O)[C@@H]1CSC(C[C@@H](O)[C@H](O)[C@H](O)CO)N1