pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.5	QSARToolbox	-3	-4	O=C([O-])CN(CC[NH+](CC(=O)[O-])Cc1cccc(C(=O)[O-])n1)Cc1cccc(C(=O)[O-])n1	O=C([O-])CN(CCN(CC(=O)[O-])Cc1cccc(C(=O)[O-])n1)Cc1cccc(C(=O)[O-])n1	mol36151	O=C(O)CN(CCN(CC(=O)O)Cc1cccc(C(=O)O)n1)Cc1cccc(C(=O)O)n1