pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.96000003814697	QSARToolbox	2	1	O=C(O)C[NH+](C/C=C/C[NH+](CC(=O)O)CC(=O)O)CC(=O)O	O=C([O-])C[NH+](C/C=C/C[NH+](CC(=O)O)CC(=O)O)CC(=O)O	mol36164	O=C(O)CN(C/C=C/CN(CC(=O)O)CC(=O)O)CC(=O)O