pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.0	OCHEM	1	0	CC(C)(CCCCCOCCc1ccccc1)[NH2+]CCc1ccc(O)c2nc(O)sc12	CC(C)(CCCCCOCCc1ccccc1)[NH2+]CCc1ccc(O)c2nc([O-])sc12,CC(C)(CCCCCOCCc1ccccc1)[NH2+]CCc1ccc([O-])c2nc(O)sc12	mol31983	CC(C)(CCCCCOCCc1ccccc1)NCCc1ccc(O)c2nc(O)sc12