pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.12	OCHEM	0	-1	COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(C(=O)O)c1	COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(C(=O)[O-])c1	mol20933	COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(C(=O)O)c1