pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.53	Datawarrior	2	1	c1cc([NH+]2CCCC2)cc[nH+]1	c1cc(N2CCCC2)cc[nH+]1,c1cc([NH+]2CCCC2)ccn1	mol13996	c1cc(N2CCCC2)ccn1
-0.52999997	OCHEM	2	1	c1cc([NH+]2CCCC2)cc[nH+]1	c1cc(N2CCCC2)cc[nH+]1,c1cc([NH+]2CCCC2)ccn1	mol13996	c1cc(N2CCCC2)ccn1