pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.22	SAMPL7	0	-1	O=S1(=O)CC(CCc2ccccc2)(NS(=O)(=O)c2ccccc2)C1	O=S1(=O)CC(CCc2ccccc2)([N-]S(=O)(=O)c2ccccc2)C1	SM39	O=S1(=O)CC(CCc2ccccc2)(NS(=O)(=O)c2ccccc2)C1