pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.8	SAMPL7	0	-1	O=S(=O)(NC1(CCc2ccccc2)C[S+]([O-])C1)c1ccccc1	O=S(=O)([N-]C1(CCc2ccccc2)C[S+]([O-])C1)c1ccccc1	SM36	O=S(=O)(NC1(CCc2ccccc2)C[S+]([O-])C1)c1ccccc1