smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)CS(=O)(=O)F)[C@@H](C)O)[C@@H](C)CC ZINC000095564707 562764406 /nfs/dbraw/zinc/76/44/06/562764406.db2.gz RSMWNMNQGQHIEK-JUKXBMAYSA-N 0 3 510.673 0.587 1 70 KCIFHN