pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.46	IUPAC digitized pKa	0	-1	Cc1cccc(C[NH+](CC(=O)[O-])CC(=O)O)n1,Cc1cccc(C[NH+](CC(=O)[O-])CC(=O)[O-])[nH+]1,Cc1cccc(CN(CC(=O)[O-])CC(=O)O)[nH+]1	Cc1cccc(C[NH+](CC(=O)[O-])CC(=O)[O-])n1,Cc1cccc(CN(CC(=O)[O-])CC(=O)[O-])[nH+]1	mol11605	Cc1cccc(CN(CC(=O)O)CC(=O)O)n1
8.3	IUPAC digitized pKa	-1	-2	Cc1cccc(C[NH+](CC(=O)[O-])CC(=O)[O-])n1,Cc1cccc(CN(CC(=O)[O-])CC(=O)[O-])[nH+]1	Cc1cccc(CN(CC(=O)[O-])CC(=O)[O-])n1	mol11605	Cc1cccc(CN(CC(=O)O)CC(=O)O)n1