pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.90000009536743	QSARToolbox	0	-1	O=C([O-])COCC(COCC(=O)O)(COCC(=O)O)[NH+](Cc1ccccc1)Cc1ccccc1,O=C(O)COCC(COCC(=O)O)(COCC(=O)O)N(Cc1ccccc1)Cc1ccccc1	O=C([O-])COCC(COCC(=O)O)(COCC(=O)O)N(Cc1ccccc1)Cc1ccccc1,O=C([O-])COCC(COCC(=O)[O-])(COCC(=O)O)[NH+](Cc1ccccc1)Cc1ccccc1	mol36185	O=C(O)COCC(COCC(=O)O)(COCC(=O)O)N(Cc1ccccc1)Cc1ccccc1