smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC000024696490 1067094638 /nfs/dbraw/zinc/09/46/38/1067094638.db2.gz RQBXUBZTQQLSKP-UHFFFAOYSA-N -1 3 497.622 -1.516 20 0 JAADHM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000029089307 1067543533 /nfs/dbraw/zinc/54/35/33/1067543533.db2.gz LDMUTZKUAFKTGC-UHFFFAOYSA-N -1 3 462.551 -1.149 20 0 JAADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000029385942 1067053567 /nfs/dbraw/zinc/05/35/67/1067053567.db2.gz LSPIPXZHQZDYLC-ZDUSSCGKSA-N -1 3 465.554 -1.321 20 0 JAADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000029385945 1067095247 /nfs/dbraw/zinc/09/52/47/1067095247.db2.gz YHAGQQCHXBVIAN-UHFFFAOYSA-N -1 3 466.314 -1.980 20 0 JAADHM CN1CCN(S(=O)(=O)N2CCN(C(=O)Cn3cc(Br)c(=O)[n-]c3=O)CC2)CC1 ZINC000030697021 1067095578 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