pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.15999984741211	QSARToolbox	0	-1	Cc1cccc(-c2cccc(C[NH+](CC(=O)[O-])CC(=O)[O-])n2)[nH+]1,Cc1cccc(-c2cccc(C[NH+](CC(=O)[O-])CC(=O)[O-])[nH+]2)n1,Cc1cccc(-c2cccc(C[NH+](CC(=O)[O-])CC(=O)O)n2)n1	Cc1cccc(-c2cccc(CN(CC(=O)[O-])CC(=O)[O-])n2)[nH+]1,Cc1cccc(-c2cccc(C[NH+](CC(=O)[O-])CC(=O)[O-])n2)n1	mol35814	Cc1cccc(-c2cccc(CN(CC(=O)O)CC(=O)O)n2)n1