pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.13	Datawarrior	0	-1	O=C(c1ccccc1)c1ccc(=O)n(O)c1	O=C(c1ccccc1)c1ccc(=O)n([O-])c1	mol14585	O=C(c1ccccc1)c1ccc(=O)n(O)c1
5.1300001	OCHEM	0	-1	O=C(c1ccccc1)c1ccc(=O)n(O)c1	O=C(c1ccccc1)c1ccc(=O)n([O-])c1	mol14585	O=C(c1ccccc1)c1ccc(=O)n(O)c1