pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.0	OCHEM	2	1	Oc1nc2cccc(CC[NH2+]CCCCCC[NH2+]CCc3ccc(O)c4nc(O)sc34)c2s1	Oc1nc2cccc(CC[NH2+]CCCCCCNCCc3ccc(O)c4nc(O)sc34)c2s1,[O-]c1nc2c(O)ccc(CC[NH2+]CCCCCC[NH2+]CCc3cccc4nc(O)sc34)c2s1,[O-]c1nc2cccc(CC[NH2+]CCCCCC[NH2+]CCc3ccc(O)c4nc(O)sc34)c2s1,Oc1nc2cccc(CCNCCCCCC[NH2+]CCc3ccc(O)c4nc(O)sc34)c2s1	mol31936	Oc1nc2cccc(CCNCCCCCCNCCc3ccc(O)c4nc(O)sc34)c2s1