pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.55	Baltruschat ChEMBL	0	-1	CCNCc1cc2cc(S(N)(=O)=O)oc2s1	CCNCc1cc2cc(S([NH-])(=O)=O)oc2s1	mol18072	CCNCc1cc2cc(S(N)(=O)=O)oc2s1
8.05	Baltruschat ChEMBL	1	0	CC[NH2+]Cc1cc2cc(S(N)(=O)=O)oc2s1	CCNCc1cc2cc(S(N)(=O)=O)oc2s1	mol18072	CCNCc1cc2cc(S(N)(=O)=O)oc2s1