smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(C[N@H+]2CCC[C@@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1 ZINC000011967015 556677431 /nfs/dbraw/zinc/67/74/31/556677431.db2.gz ZJCZDCGQYLFGFF-OAQYLSRUSA-N 2 1 425.646 4.110 10 10 IICEMP CN(C)c1ccc(C[N@H+]2CCC[C@H](c3ccnc(SCC[NH+]4CCCC4)n3)C2)cc1 ZINC000011967025 556677362 /nfs/dbraw/zinc/67/73/62/556677362.db2.gz ZJCZDCGQYLFGFF-NRFANRHFSA-N 2 1 425.646 4.110 10 10 IICEMP