smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCN(Cc1cc2c(cc1C)nc(C)[nH]c2=O)c1ccc(C(=O)N[C@@H](CCc2nn[n-]n2)C(=O)[O-])c(F)c1 ZINC000001654736 551688077 /nfs/dbraw/zinc/68/80/77/551688077.db2.gz IEJSCSAMMLUINT-NRFANRHFSA-N -2 1 532.536 1.648 10 30 investigational KDEEML C#CCN(Cc1cc2c(cc1C)nc(C)[nH]c2=O)c1ccc(C(=O)N[C@H](CCc2nn[n-]n2)C(=O)[O-])c(F)c1 ZINC000003832382 561683648 /nfs/dbraw/zinc/68/36/48/561683648.db2.gz IEJSCSAMMLUINT-OAQYLSRUSA-N -2 1 532.536 1.648 10 30 KDEEML