pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.32	Datawarrior	0	-1	O=C([O-])[C@@H](O)Cc1c[nH]c[nH+]1	O=C([O-])[C@@H](O)Cc1c[nH]cn1	mol14185	O=C(O)C(O)Cc1c[nH]cn1
7.3200002	OCHEM	0	-1	O=C([O-])[C@@H](O)Cc1c[nH]c[nH+]1	O=C([O-])[C@@H](O)Cc1c[nH]cn1	mol14185	O=C(O)C(O)Cc1c[nH]cn1
2.99	Datawarrior	1	0	O=C(O)[C@@H](O)Cc1c[nH]c[nH+]1	O=C([O-])[C@@H](O)Cc1c[nH]c[nH+]1	mol14185	O=C(O)C(O)Cc1c[nH]cn1