pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.44	AttenGpKa training set	0	-1	O=C(NS(=O)(=O)F)c1ccsc1	O=C([N-]S(=O)(=O)F)c1ccsc1	mol28391	O=C(NS(=O)(=O)F)c1ccsc1