smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCC(=O)N(C)CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1 ZINC000034717651 581097123 /nfs/dbraw/zinc/09/71/23/581097123.db2.gz QXFDWRCPFASXFH-IBGZPJMESA-N 0 2 420.575 4.169 1 30 HIEFLN Nc1ccc2c(c1)C(=O)/C(=C/c1cc(Br)c(O)c(Br)c1)C2 ZINC000026494600 581098374 /nfs/dbraw/zinc/09/83/74/581098374.db2.gz ULBLWWKORPZDSL-XCVCLJGOSA-N 0 2 409.077 4.322 1 30 HIEFLN O=C1/C(=N\O)c2ccc(-c3ccccc3)cc2N1Cc1cc(F)cc2c1OCOC2 ZINC000043015101 581099506 /nfs/dbraw/zinc/09/95/06/581099506.db2.gz GXRUPSWWOKZASF-DAFNUICNSA-N 0 2 404.397 4.084 1 30 HIEFLN CCCCCCCCC(=O)N(C)CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1 ZINC000034717650 581095036 /nfs/dbraw/zinc/09/50/36/581095036.db2.gz QXFDWRCPFASXFH-LJQANCHMSA-N 0 2 420.575 4.169 1 30 HIEFLN