pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.45	SAMPL7	0	-1	CC1(NS(=O)(=O)CCc2ccccc2)COC1	CC1([N-]S(=O)(=O)CCc2ccccc2)COC1	SM27	CC1(NS(=O)(=O)CCc2ccccc2)COC1