smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)nc(S[C@@H]2C[C@@H](C(=O)N3CCC[N@H+](C)CC3)[NH+](Cc3ccccc3O)C2)n1 ZINC000011881572 555849979 /nfs/dbraw/zinc/84/99/79/555849979.db2.gz FNCHSYAWOLRCHC-RTWAWAEBSA-N 2 1 455.628 2.698 50 10 JFCAMP Cc1cc(C)nc(S[C@@H]2C[C@@H](C(=O)N3CCC[NH+](C)CC3)[N@@H+](Cc3ccccc3O)C2)n1 ZINC000011881572 555849980 /nfs/dbraw/zinc/84/99/80/555849980.db2.gz FNCHSYAWOLRCHC-RTWAWAEBSA-N 2 1 455.628 2.698 50 10 JFCAMP Cc1cc(C)nc(S[C@@H]2C[C@@H](C(=O)N3CCC[NH+](C)CC3)[N@H+](Cc3ccccc3O)C2)n1 ZINC000011881572 555849981 /nfs/dbraw/zinc/84/99/81/555849981.db2.gz FNCHSYAWOLRCHC-RTWAWAEBSA-N 2 1 455.628 2.698 50 10 JFCAMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)Cc3ccc(N4CCOCC4)cc3)cc2)CC1 ZINC000008779737 554677061 /nfs/dbraw/zinc/67/70/61/554677061.db2.gz AYCKMVLHFSKCBM-UHFFFAOYSA-N 2 1 451.615 2.736 50 10 JFCAMP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)Cc3ccc(N4CCOCC4)cc3)cc2)CC1 ZINC000008779737 554677062 /nfs/dbraw/zinc/67/70/62/554677062.db2.gz AYCKMVLHFSKCBM-UHFFFAOYSA-N 2 1 451.615 2.736 50 10 JFCAMP