pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.77	AttenGpKa training set	0	-1	COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)NCCO)c1OC	COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)NCCO)c1OC	mol29885	COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)NCCO)c1OC