pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.10000038146973	QSARToolbox	-1	-2	O=C([O-])CCN(CCC(=O)[O-])c1cc[nH+]cc1,O=C([O-])CC[NH+](CCC(=O)[O-])c1ccncc1	O=C([O-])CCN(CCC(=O)[O-])c1ccncc1	mol36110	O=C(O)CCN(CCC(=O)O)c1ccncc1