smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C[NH+]2CCC3(CCN(c4cc(Cl)nc5c4CCNC5)CC3)CC2)cc1 ZINC001164759435 721045549 /nfs/dbraw/zinc/04/55/49/721045549.db2.gz MHGKLMNVNPJSJD-UHFFFAOYSA-N 1 3 425.020 4.572 20 0 IJADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(N4CCCC4)cc4ccccc43)C[C@H]21 ZINC001165026764 721825858 /nfs/dbraw/zinc/82/58/58/721825858.db2.gz QBLIOIYWERAPLC-HDYLNDSGSA-N 1 3 441.623 4.967 20 0 IJADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(N4CCCC4)cc4ccccc43)C[C@H]21 ZINC001165026764 721825859 /nfs/dbraw/zinc/82/58/59/721825859.db2.gz QBLIOIYWERAPLC-HDYLNDSGSA-N 1 3 441.623 4.967 20 0 IJADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(N4CCCC4)cc4ccccc43)C[C@@H]21 ZINC001165026766 721825912 /nfs/dbraw/zinc/82/59/12/721825912.db2.gz QBLIOIYWERAPLC-ZSQFBXSQSA-N 1 3 441.623 4.967 20 0 IJADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(N4CCCC4)cc4ccccc43)C[C@@H]21 ZINC001165026766 721825913 /nfs/dbraw/zinc/82/59/13/721825913.db2.gz QBLIOIYWERAPLC-ZSQFBXSQSA-N 1 3 441.623 4.967 20 0 IJADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(N4CCCC4)cc4ccccc43)C[C@@H]21 ZINC001165026765 721825985 /nfs/dbraw/zinc/82/59/85/721825985.db2.gz QBLIOIYWERAPLC-UCGXPXSYSA-N 1 3 441.623 4.967 20 0 IJADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(N4CCCC4)cc4ccccc43)C[C@@H]21 ZINC001165026765 721825987 /nfs/dbraw/zinc/82/59/87/721825987.db2.gz QBLIOIYWERAPLC-UCGXPXSYSA-N 1 3 441.623 4.967 20 0 IJADHO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(N4CCCC4)cc4ccccc43)C[C@H]21 ZINC001165026763 721825849 /nfs/dbraw/zinc/82/58/49/721825849.db2.gz QBLIOIYWERAPLC-DNRSQYFGSA-N 1 3 441.623 4.967 20 0 IJADHO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(N4CCCC4)cc4ccccc43)C[C@H]21 ZINC001165026763 721825851 /nfs/dbraw/zinc/82/58/51/721825851.db2.gz QBLIOIYWERAPLC-DNRSQYFGSA-N 1 3 441.623 4.967 20 0 IJADHO