pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.95	Datawarrior	0	-1	CC(C)([Se-])C[NH3+]	CC(C)([Se-])CN	mol15885	CC(C)([SeH])CN
5.21	Datawarrior	1	0	CC(C)([SeH])C[NH3+]	CC(C)([Se-])C[NH3+]	mol15885	CC(C)([SeH])CN
5.21000003814697	QSARToolbox	1	0	CC(C)([SeH])C[NH3+]	CC(C)([Se-])C[NH3+]	mol15885	CC(C)([SeH])CN