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)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)cc1 ZINC000001351167 556780476 /nfs/dbraw/zinc/78/04/76/556780476.db2.gz UTRVJJXDNAUNEA-UHFFFAOYSA-N 0 0 439.581 -0.017 40 0 IBABRN CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 ZINC000001357740 556783478 /nfs/dbraw/zinc/78/34/78/556783478.db2.gz QINNPUUFDYNJJH-UHFFFAOYSA-N 0 0 437.565 -0.263 40 0 IBABRN CCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000001357822 556783574 /nfs/dbraw/zinc/78/35/74/556783574.db2.gz YROAINJHBMDWBC-UHFFFAOYSA-N 0 0 437.565 -0.217 40 0 IBABRN COc1cc(C(=O)Nc2ccn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c(=O)n2)cc(OC)c1OC ZINC000001791772 568859062 /nfs/dbraw/zinc/85/90/62/568859062.db2.gz TVKSGGGVKVRUJI-MJXUCMMTSA-N 0 0 437.405 -0.867 40 0 IBABRN CC(=O)OC[C@@H]1O[C@H](n2cc(I)c(=O)[nH]c2=O)C[C@H]1OC(C)=O ZINC000002597048 568801520 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