pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.13	OCHEM	1	0	COCCOCC[NH2+][C@@H](C)c1cc2cc(S(N)(=O)=O)sc2s1	COCCOCCN[C@@H](C)c1cc2cc(S(N)(=O)=O)sc2s1	mol16618	COCCOCCNC(C)c1cc2cc(S(N)(=O)=O)sc2s1