pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.0	OCHEM	1	0	CN(CC[NH2+]CCc1ccc(O)c2nc(O)sc12)C(=O)CCOCCc1ccccc1	CN(CCNCCc1ccc(O)c2nc(O)sc12)C(=O)CCOCCc1ccccc1,CN(CC[NH2+]CCc1ccc([O-])c2nc(O)sc12)C(=O)CCOCCc1ccccc1,CN(CC[NH2+]CCc1ccc(O)c2nc([O-])sc12)C(=O)CCOCCc1ccccc1	mol31948	CN(CCNCCc1ccc(O)c2nc(O)sc12)C(=O)CCOCCc1ccccc1