smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)OC(=O)Nc1nc(/C(=N/OC(C)(C)C(=O)OC(C)(C)C)C(=O)[O-])cs1 ZINC000095934775 518844982 /nfs/dbraw/zinc/84/49/82/518844982.db2.gz ANFLTTZTVMOFFU-NHDPSOOVSA-N -1 2 429.495 3.416 10 30 IGEELM