pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.7	AttenGpKa training set	0	-1	C=CCNC(=O)NS(=O)(=O)c1ccccc1	C=CCNC(=O)[N-]S(=O)(=O)c1ccccc1	mol28431	C=CCNC(=O)NS(=O)(=O)c1ccccc1