smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)CC(C(=O)Nc1c(C)cccc1C)=C(C)NNC(=O)C[N+](C)(C)C ZINC000005807633 717102212 /nfs/dbraw/zinc/10/22/12/717102212.db2.gz RPMYPUJLESTHHA-YJZSVRAESA-O 1 3 404.579 2.398 40 50 HEGBHO CCN(CC)CC(C(=O)Nc1c(C)cccc1C)=C(C)NNC(=O)C[N+](C)(C)C ZINC000017211457 717112271 /nfs/dbraw/zinc/11/22/71/717112271.db2.gz RPMYPUJLESTHHA-VZMLSGIISA-O 1 3 404.579 2.398 40 50 HEGBHO CCN(CC)CC(C(=O)Nc1c(C)cccc1C)=C(C)NNC(=O)C[N+](C)(C)C ZINC000017211460 717112472 /nfs/dbraw/zinc/11/24/72/717112472.db2.gz RPMYPUJLESTHHA-NWUSPQHDSA-O 1 3 404.579 2.398 40 50 HEGBHO CCN(CC)CC(C(=O)Nc1c(C)cccc1C)=C(C)NNC(=O)C[N+](C)(C)C ZINC000005807643 717102058 /nfs/dbraw/zinc/10/20/58/717102058.db2.gz RPMYPUJLESTHHA-CBTVAOKPSA-O 1 3 404.579 2.398 40 50 HEGBHO