pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.92	AttenGpKa training set	0	-1	S=C(S)c1ccccc1	S=C([S-])c1ccccc1	mol28209	S=C(S)c1ccccc1
