pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.0	OCHEM	1	0	Oc1ccc(CCOCCCCCC[NH2+]CCc2ccc(O)c3nc(O)sc23)cc1	[O-]c1ccc(CC[NH2+]CCCCCCOCCc2ccc(O)cc2)c2sc(O)nc12,[O-]c1nc2c(O)ccc(CC[NH2+]CCCCCCOCCc3ccc(O)cc3)c2s1	mol32010	Oc1ccc(CCOCCCCCCNCCc2ccc(O)c3nc(O)sc23)cc1