pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.1	Datawarrior	0	-1	CS(=O)(=O)NC(N)=O	CS(=O)(=O)[N-]C(N)=O	mol12472	CS(=O)(=O)NC(N)=O
5.0999999	OCHEM	0	-1	CS(=O)(=O)NC(N)=O	CS(=O)(=O)[N-]C(N)=O	mol12472	CS(=O)(=O)NC(N)=O
5.09999990463257	QSARToolbox	0	-1	CS(=O)(=O)NC(N)=O	CS(=O)(=O)[N-]C(N)=O	mol12472	CS(=O)(=O)NC(N)=O