pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.6300001144409	QSARToolbox	-2	-3	O=C([O-])[C@@H]1OCC[NH2+]CCO[C@@H](C(=O)[O-])[C@H](C(=O)[O-])OCC[NH2+]CCO[C@H]1C(=O)[O-]	O=C([O-])[C@@H]1OCCNCCO[C@@H](C(=O)[O-])[C@H](C(=O)[O-])OCC[NH2+]CCO[C@H]1C(=O)[O-]	mol38321	O=C(O)[C@@H]1OCCNCCO[C@@H](C(=O)O)[C@H](C(=O)O)OCCNCCO[C@H]1C(=O)O