pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.58	OCHEM	1	0	C[S@+]([O-])CC[NH2+]Cc1cc2cc(S(N)(=O)=O)sc2s1	C[S@+]([O-])CCNCc1cc2cc(S(N)(=O)=O)sc2s1	mol16634	C[S+]([O-])CCNCc1cc2cc(S(N)(=O)=O)sc2s1