pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.90000009536743	QSARToolbox	0	-1	O=C([O-])CC[NH+](C[NH+](CCC(=O)[O-])[N+](=O)[O-])[N+](=O)[O-],O=C([O-])CC[NH+](CN(CCC(=O)O)[N+](=O)[O-])[N+](=O)[O-]	O=C([O-])CCN(C[NH+](CCC(=O)[O-])[N+](=O)[O-])[N+](=O)[O-],O=C([O-])CCN(CN(CCC(=O)O)[N+](=O)[O-])[N+](=O)[O-]	mol34442	O=C(O)CCN(CN(CCC(=O)O)[N+](=O)[O-])[N+](=O)[O-]