pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.72	Datawarrior	0	-1	O=C1CC(=O)CS(=O)(=O)C1	O=C1[CH-]S(=O)(=O)CC(=O)C1,O=C1[CH-]C(=O)CS(=O)(=O)C1	mol12904	O=C1CC(=O)CS(=O)(=O)C1
2.76	AttenGpKa training set	0	-1	O=C1CC(=O)CS(=O)(=O)C1	O=C1[CH-]S(=O)(=O)CC(=O)C1,O=C1[CH-]C(=O)CS(=O)(=O)C1	mol12904	O=C1CC(=O)CS(=O)(=O)C1