smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)Cc1sc(NS(=O)(=O)c2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000071565006 968853359 /nfs/dbraw/zinc/85/33/59/968853359.db2.gz DRHABRXEXQIMFQ-UHFFFAOYSA-N 0 2 422.915 3.980 20 10 HHCDLN COCCn1c(C)c(C)c2cc(C(=O)Nc3cccc(-c4n[nH]c(=O)[nH]4)c3)ccc21 ZINC000552261993 1012271578 /nfs/dbraw/zinc/27/15/78/1012271578.db2.gz ZVICYFQMWIXFPU-UHFFFAOYSA-N 0 2 405.458 3.648 20 10 HHCDLN Cc1sc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)nc1-c1ccc(C)cc1 ZINC000906463563 1071995730 /nfs/dbraw/zinc/99/57/30/1071995730.db2.gz FCIWVDODVKGVEA-UHFFFAOYSA-N 0 2 415.496 3.673 20 10 HHCDLN CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc(-c4ccc(C)cc4)cs3)ccc21 ZINC000302812229 971331658 /nfs/dbraw/zinc/33/16/58/971331658.db2.gz JHPGUJBRZGRETH-UHFFFAOYSA-N 0 2 413.524 3.828 20 10 HHCDLN CN1C(=O)/C(=C\c2cc(Br)c(O)c(Br)c2)SC1=S ZINC000006574746 960928027 /nfs/dbraw/zinc/92/80/27/960928027.db2.gz 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