pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.94000005722046	QSARToolbox	0	-1	O=C(O)C[C@@H](C(=O)O)N(CCN(C(=S)S)[C@@H](CC(=O)O)C(=O)O)C(=S)S	O=C(O)C[C@@H](C(=O)[O-])N(CCN(C(=S)S)[C@@H](CC(=O)O)C(=O)O)C(=S)S,O=C([O-])C[C@@H](C(=O)O)N(CCN(C(=S)S)[C@@H](CC(=O)O)C(=O)O)C(=S)S	mol36003	O=C(O)CC(C(=O)O)N(CCN(C(=S)S)C(CC(=O)O)C(=O)O)C(=S)S