pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.33	Datawarrior	1	0	O=[N+]([O-])c1ccc([NH2+]CO)cc1	O=[N+]([O-])c1ccc(NCO)cc1	mol12627	O=[N+]([O-])c1ccc(NCO)cc1
-0.33000001	OCHEM	1	0	O=[N+]([O-])c1ccc([NH2+]CO)cc1	O=[N+]([O-])c1ccc(NCO)cc1	mol12627	O=[N+]([O-])c1ccc(NCO)cc1