pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.07	Datawarrior	0	-1	O=[N+]([O-])c1cccc([Se@@](=O)O)c1	O=[N+]([O-])c1cccc([Se@@](=O)[O-])c1	mol12646	O=[N+]([O-])c1cccc([Se](=O)O)c1
4.0700002	OCHEM	0	-1	O=[N+]([O-])c1cccc([Se@@](=O)O)c1	O=[N+]([O-])c1cccc([Se@@](=O)[O-])c1	mol12646	O=[N+]([O-])c1cccc([Se](=O)O)c1
4.07000017166138	QSARToolbox	0	-1	O=[N+]([O-])c1cccc([Se@@](=O)O)c1	O=[N+]([O-])c1cccc([Se@@](=O)[O-])c1	mol12646	O=[N+]([O-])c1cccc([Se](=O)O)c1