pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.94	AttenGpKa training set	0	-1	O=C(O)COc1cccc(NC(=O)CN2CCCCCC2=O)c1	O=C([O-])COc1cccc(NC(=O)CN2CCCCCC2=O)c1	mol23687	O=C(O)COc1cccc(NC(=O)CN2CCCCCC2=O)c1