pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.99	IUPAC digitized pKa	1	0	O=C(O)C[NH+](CC(=O)O)Cc1ccccc1[N+](=O)[O-]	O=C(O)CN(CC(=O)O)Cc1ccccc1[N+](=O)[O-],O=C([O-])C[NH+](CC(=O)O)Cc1ccccc1[N+](=O)[O-]	mol11587	O=C(O)CN(CC(=O)O)Cc1ccccc1[N+](=O)[O-]
8.29	IUPAC digitized pKa	-1	-2	O=C([O-])C[NH+](CC(=O)[O-])Cc1ccccc1[N+](=O)[O-],O=C([O-])CN(CC(=O)O)Cc1ccccc1[N+](=O)[O-]	O=C([O-])CN(CC(=O)[O-])Cc1ccccc1[N+](=O)[O-]	mol11587	O=C(O)CN(CC(=O)O)Cc1ccccc1[N+](=O)[O-]