smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](CCCC[N@H+](C)CCOS(C)(=O)=O)CCOS(C)(=O)=O ZINC000095793755 483823617 /nfs/dbraw/zinc/82/36/17/483823617.db2.gz RMCAONQJJCTRJW-UHFFFAOYSA-N 2 1 360.498 -0.417 40 30 FBEBMP