smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@H]1c1ccccc1F ZINC000102623791 454511758 /nfs/dbraw/zinc/51/17/58/454511758.db2.gz PYHMPACXQITRJK-KMPOOHAWSA-N -1 2 329.302 3.454 50 30 EGEALM COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(F)cc2)cc1 ZINC000102431589 454504901 /nfs/dbraw/zinc/50/49/01/454504901.db2.gz GMPNMVHBJCPPJS-YTBHAWNYSA-N -1 2 341.338 3.323 50 30 EGEALM COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(F)cc2)cc1 ZINC000102431595 454505241 /nfs/dbraw/zinc/50/52/41/454505241.db2.gz GMPNMVHBJCPPJS-ABPVARSCSA-N -1 2 341.338 3.323 50 30 EGEALM CC(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccccc1F ZINC000102623794 454511637 /nfs/dbraw/zinc/51/16/37/454511637.db2.gz PYHMPACXQITRJK-AAGJOFLKSA-N -1 2 329.302 3.454 50 30 EGEALM