pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.0	OCHEM	0	-1	CN(CC[NH+](C)CCc1ccc([O-])c2nc(O)sc12)C(=O)CCOCCc1ccccc1,CN(CCc1ccc(O)c2nc(O)sc12)CCN(C)C(=O)CCOCCc1ccccc1,CN(CC[NH+](C)CCc1ccc(O)c2nc([O-])sc12)C(=O)CCOCCc1ccccc1	CN(CCc1ccc(O)c2nc([O-])sc12)CCN(C)C(=O)CCOCCc1ccccc1,CN(CCc1ccc([O-])c2nc(O)sc12)CCN(C)C(=O)CCOCCc1ccccc1	mol31965	CN(CCc1ccc(O)c2nc(O)sc12)CCN(C)C(=O)CCOCCc1ccccc1