pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.54	OCHEM	0	-1	N#Cc1cccc(OS(N)(=O)=O)c1	N#Cc1cccc(OS([NH-])(=O)=O)c1	mol28366	N#Cc1cccc(OS(N)(=O)=O)c1
7.66	AttenGpKa training set	0	-1	N#Cc1cccc(OS(N)(=O)=O)c1	N#Cc1cccc(OS([NH-])(=O)=O)c1	mol28366	N#Cc1cccc(OS(N)(=O)=O)c1