pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.7	Organic Oxygen Acids and Nitrogen Bases	2	1	CCCOCC(=[NH+]c1ccc(Cl)cc1C(F)(F)F)n1cc[nH+]c1	CCCOCC(=[NH+]c1ccc(Cl)cc1C(F)(F)F)n1ccnc1,CCCOCC(=Nc1ccc(Cl)cc1C(F)(F)F)n1cc[nH+]c1	mol21845	CCCOCC(=Nc1ccc(Cl)cc1C(F)(F)F)n1ccnc1