pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.93	SAMPL7	0	-1	CN(C)S(=O)(=O)NC1(CCc2ccccc2)CSC1	CN(C)S(=O)(=O)[N-]C1(CCc2ccccc2)CSC1	SM34	CN(C)S(=O)(=O)NC1(CCc2ccccc2)CSC1