pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.29	Datawarrior	0	-1	CCCC[Se@](=O)O	CCCC[Se@](=O)[O-]	mol15943	CCCC[Se](=O)O
5.28999996185303	QSARToolbox	0	-1	CCCC[Se@](=O)O	CCCC[Se@](=O)[O-]	mol15943	CCCC[Se](=O)O