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(C)cc2)[C@@H]1c1ccccc1F ZINC000000545918 564022690 /nfs/dbraw/zinc/02/26/90/564022690.db2.gz HCLWRJCRCQOIRM-QGZVFWFLSA-N -1 2 325.339 3.623 50 30 EHEALM CCC(CC)C(O)=C(C#N)C(=O)CCc1ncc(-c2ccccc2)o1 ZINC000100684493 563994826 /nfs/dbraw/zinc/99/48/26/563994826.db2.gz BTRWHDQZMXMCNA-MRXNPFEDSA-N -1 2 338.407 3.988 50 30 EHEALM CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccccc1F ZINC000000545917 564022700 /nfs/dbraw/zinc/02/27/00/564022700.db2.gz HCLWRJCRCQOIRM-KRWDZBQOSA-N -1 2 325.339 3.623 50 30 EHEALM