pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.39	Datawarrior	0	-1	COc1cccc(S(N)(=O)=O)c1	COc1cccc(S([NH-])(=O)=O)c1	mol12706	COc1cccc(S(N)(=O)=O)c1
9.3900003	OCHEM	0	-1	COc1cccc(S(N)(=O)=O)c1	COc1cccc(S([NH-])(=O)=O)c1	mol12706	COc1cccc(S(N)(=O)=O)c1