smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)C(=O)[C@@H]1CNc2nc(N)[n-]c(=O)c2N1 ZINC000013513777 188097489 /nfs/dbraw/zinc/09/74/89/188097489.db2.gz WBJZXBUVECZHCE-BYPYZUCNSA-N -1 3 237.219 -1.284 10 10 endogenous,in-man BACEHM CC(=O)C(=O)[C@H]1CNc2nc(N)[n-]c(=O)c2N1 ZINC000100028524 571801357 /nfs/dbraw/zinc/80/13/57/571801357.db2.gz WBJZXBUVECZHCE-SCSAIBSYSA-N -1 3 237.219 -0.872 10 10 endogenous,in-man BACEHM