pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.85	Datawarrior	0	-1	O=C(O)[C@@H]1CC[C@@H](C(=O)O)[Se][Se]1	O=C([O-])[C@@H]1CC[C@@H](C(=O)O)[Se][Se]1	mol12515	O=C(O)[C@@H]1CC[C@@H](C(=O)O)[Se][Se]1
3.67	Datawarrior	0	-1	O=C(O)[C@@H]1CC[C@@H](C(=O)O)[Se][Se]1	O=C([O-])[C@@H]1CC[C@@H](C(=O)O)[Se][Se]1	mol12515	O=C(O)[C@@H]1CC[C@@H](C(=O)O)[Se][Se]1
2.84999990463257	QSARToolbox	0	-1	O=C(O)[C@@H]1CC[C@@H](C(=O)O)[Se][Se]1	O=C([O-])[C@@H]1CC[C@@H](C(=O)O)[Se][Se]1	mol12515	O=C(O)[C@@H]1CC[C@@H](C(=O)O)[Se][Se]1