pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.73999977111816	QSARToolbox	0	-1	C[S@+](O)[CH-]C(=O)C=NO,C[S@+]([O-])CC(=O)C=NO	C[S@+]([O-])[CH-]C(=O)C=NO,C[S@+](O)[CH-]C(=O)C=N[O-],C[S@+]([O-])CC(=O)C=N[O-]	mol34887	C[S+]([O-])CC(=O)C=NO
9.35999965667725	QSARToolbox	0	-1	C[S@+](O)[CH-]C(=O)C=NO,C[S@+]([O-])CC(=O)C=NO	C[S@+]([O-])[CH-]C(=O)C=NO,C[S@+](O)[CH-]C(=O)C=N[O-],C[S@+]([O-])CC(=O)C=N[O-]	mol34887	C[S+]([O-])CC(=O)C=NO