pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.39	OCHEM	1	0	O=c1c2ccccc2n(CCC[NH+]2CCCCC2)c2ccc(Cl)cc12	O=c1c2ccccc2n(CCCN2CCCCC2)c2ccc(Cl)cc12	mol17163	O=c1c2ccccc2n(CCCN2CCCCC2)c2ccc(Cl)cc12