smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-c2csc3[n-]c(CO[C@H]4CCCC[C@@H]4C)nc(=O)c23)s1 ZINC000063579423 567878588 /nfs/dbraw/zinc/87/85/88/567878588.db2.gz HQDGNKMTODVHPE-FZMZJTMJSA-N -1 1 374.531 5.117 20 0 FKADMM C[C@H](Nc1ccccc1NC(=O)c1cc(-c2ccco2)n[nH]1)c1ccccc1 ZINC000549716399 568030302 /nfs/dbraw/zinc/03/03/02/568030302.db2.gz XWEQDWDDVIFMPX-HNNXBMFYSA-N -1 1 372.428 5.095 20 0 FKADMM C[C@@H](Nc1ccccc1NC(=O)c1cc(-c2ccco2)n[nH]1)c1ccccc1 ZINC000549716408 568030334 /nfs/dbraw/zinc/03/03/34/568030334.db2.gz XWEQDWDDVIFMPX-OAHLLOKOSA-N -1 1 372.428 5.095 20 0 FKADMM CCOc1ccc(-c2nc3cc(C(F)(F)F)ccc3c(=O)[n-]2)cc1Cl ZINC000551245452 568187167 /nfs/dbraw/zinc/18/71/67/568187167.db2.gz HRSYFRJDCIVONQ-UHFFFAOYSA-N -1 1 368.742 5.073 20 0 FKADMM C[C@@H](Oc1ccccc1NC(=O)Nc1ccc([O-])c(Cl)c1)C(F)(F)F ZINC000558220378 568473862 /nfs/dbraw/zinc/47/38/62/568473862.db2.gz NHLUCEORNCYZOY-SECBINFHSA-N -1 1 374.746 5.019 20 0 FKADMM C[C@H](Oc1ccccc1NC(=O)Nc1ccc([O-])c(Cl)c1)C(F)(F)F ZINC000558220379 568473875 /nfs/dbraw/zinc/47/38/75/568473875.db2.gz NHLUCEORNCYZOY-VIFPVBQESA-N -1 1 374.746 5.019 20 0 FKADMM CCCc1nc(-c2nc(=O)c3c(-c4ccccc4Cl)csc3[n-]2)co1 ZINC000558251060 568466658 /nfs/dbraw/zinc/46/66/58/568466658.db2.gz QZIAREJWMYCRKE-UHFFFAOYSA-N -1 1 371.849 5.325 20 0 FKADMM Cc1nc(C(C)C)ccc1CSc1nc(-c2ccccc2)c(C)c(=O)[n-]1 ZINC000558850825 568479122 /nfs/dbraw/zinc/47/91/22/568479122.db2.gz YVGJWWIGGRQWKF-UHFFFAOYSA-N -1 1 365.502 5.277 20 0 FKADMM