pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.88000011444092	QSARToolbox	-2	-3	O=C([O-])C[NH+]1CCOCCOCC[NH+](CC(=O)[O-])CCO[C@@H](C(=O)[O-])[C@H](C(=O)[O-])OCC1	O=C([O-])CN1CCOCCOCC[NH+](CC(=O)[O-])CCO[C@@H](C(=O)[O-])[C@H](C(=O)[O-])OCC1	mol38320	O=C(O)CN1CCOCCOCCN(CC(=O)O)CCO[C@@H](C(=O)O)[C@H](C(=O)O)OCC1