pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.75	OCHEM	1	0	C[C@@H](C=O)[NH+](Cc1cc2cc(S(N)(=O)=O)sc2s1)[C@@H](C)C=O	C[C@@H](C=O)N(Cc1cc2cc(S(N)(=O)=O)sc2s1)[C@@H](C)C=O	mol16630	CC(C=O)N(Cc1cc2cc(S(N)(=O)=O)sc2s1)C(C)C=O