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"CCOC(=O)C1=CC=CC=C1", "molecular_weight": 150.177, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 3, "complexity": 126.0, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 150.068, "exact_mass": 150.068, "xlogp": "2.6", "charge": 0, "heavy_atom_count": 11, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "70750-03-7@93-89-0@70750-02-6@70750-04-8", "fema_number": "2422", "fema_flavor_profile": "Camomile, Celery, Fat, Flower, Fruit", "odor": null, "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid ester@aromatic compound", "inchi": "InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3", "volume3d": "124.5", "fooddb_flavor_profile": "strawberry@anise@plum@camomile@banana@balsam@raspberry@wintergreen@fruit@cranberry@celery@dry@berry@grape@bitter@musty@sweet@fruity@cherry@minty@flower", "super_sweet": null, "bitter": 1, "supersweetdb_id": null, "bitterdb_id": "684", "fooddb_id": "FDB012197", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "dry@celery@wintergreen@grape@cherry@fruity@sweet@plum@anise@musty@camomile@balsam@strawberry@fruit@minty@berry@cranberry@raspberry@bitter@banana@flower"}, {"pubchem_id": 31272, "iupac_name": "butyl acetate", "common_name": "Butyl acetate", "smile": "CCCCOC(=O)C", "molecular_weight": 116.16, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 4, "complexity": 68.9, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 116.084, "exact_mass": 116.084, "xlogp": "1.8", "charge": 0, "heavy_atom_count": 8, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "123-86-4", "fema_number": "2174", "fema_flavor_profile": "Apple, Banana, Glue, Pungent", "odor": "pleasant, banana-like odor@sweet@strong fruity odor", "taste": "burning then sweet taste reminiscent of pineapple@pleasant, banana-like taste", "functional_groups": "carboxylic acid derivative@carboxylic acid ester", "inchi": "InChI=1S/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3", "volume3d": "99.6", "fooddb_flavor_profile": "solvent@ethereal@banana@fruity@pear", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB003386", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "solvent@ethereal@banana@fruity@pear"}, {"pubchem_id": 3893, "iupac_name": "dodecanoic acid", "common_name": "lauric acid", "smile": "CCCCCCCCCCCC(=O)O", "molecular_weight": 200.322, "hbd_count": 1, "hba_count": 2, "num_rotatablebonds": 10, "complexity": 132.0, "topological_polor_surfacearea": 37.3, "monoisotopic_mass": 200.178, "exact_mass": 200.178, "xlogp": "4.2", "charge": 0, "heavy_atom_count": 14, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "203714-07-2@8000-62-2@143-07-7@7632-48-6@9054-63-1@8045-27-0", "fema_number": "2614", "fema_flavor_profile": null, "odor": "characteristic, like oil of bay", "taste": null, "functional_groups": "carboxylic acid derivative@carboxylic acid", "inchi": "InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)", "volume3d": "177.2", "fooddb_flavor_profile": "coconut@mild@fatty@metal@bay oil", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB003010", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "coconut@mild@fatty@metal@bay oil"}, {"pubchem_id": 379, "iupac_name": "octanoic acid", "common_name": "octanoic acid", "smile": "CCCCCCCC(=O)O", "molecular_weight": 144.214, "hbd_count": 1, "hba_count": 2, "num_rotatablebonds": 6, "complexity": 89.3, "topological_polor_surfacearea": 37.3, "monoisotopic_mass": 144.115, "exact_mass": 144.115, "xlogp": "3.0", "charge": 0, "heavy_atom_count": 10, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "124-07-2@68937-74-6", "fema_number": "2799", "fema_flavor_profile": "Cheese, Fat, Grass, Oil", "odor": "faint, fruity-acid odor@unpleasant and irritating odor@slight odor", "taste": "slightly sour taste@slightly unpleasant rancid taste", "functional_groups": "carboxylic acid derivative@carboxylic acid", "inchi": "InChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)", "volume3d": "125.3", "fooddb_flavor_profile": "cheesy@sweat@vegetable@waxy@fatty@rancid@oily@cheese", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB003336", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "cheesy@sweat@vegetable@waxy@fatty@rancid@oily@cheese"}, {"pubchem_id": 445639, "iupac_name": "(Z)-octadec-9-enoic acid", "common_name": "oleic acid", "smile": "CCCCCCCCC=CCCCCCCCC(=O)O", "molecular_weight": 282.468, "hbd_count": 1, "hba_count": 2, "num_rotatablebonds": 15, "complexity": 234.0, "topological_polor_surfacearea": 37.3, "monoisotopic_mass": 282.256, "exact_mass": 282.256, "xlogp": "6.5", "charge": 0, "heavy_atom_count": 20, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 1, "defined_bond_stereocenter_count": 1, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "112-80-1@112-79-8@90459-84-0@2027-47-6@90459-86-2@68609-92-7@99148-48-8@68412-07-7", "fema_number": "2815", "fema_flavor_profile": "Fat", "odor": "peculiar lard-like odor", "taste": "peculiar lard-like taste", "functional_groups": "carboxylic acid derivative@carboxylic acid@alkene", "inchi": "InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-", "volume3d": "252.5", "fooddb_flavor_profile": "lard@fat@waxy@fatty@fried@faint", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB012858", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "lard@fat@waxy@fatty@fried@faint"}, {"pubchem_id": 31260, "iupac_name": "3-methylbutan-1-ol", "common_name": "3-Methyl-1-butanol", "smile": "CC(C)CCO", "molecular_weight": 88.15, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 2, "complexity": 25.1, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 88.089, "exact_mass": 88.089, "xlogp": "1.2", "charge": 0, "heavy_atom_count": 6, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 0, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, "undefined_bond_stereocenter_count": 0, "isotope_atom_count": 0, "covalently_bonded_unit_count": 1, "cas_id": "6423-06-9@123-51-3@8013-75-0", "fema_number": "2057", "fema_flavor_profile": "Burnt, Cocoa, Floral, Malt", "odor": "characteristic, disagreeable odor@disagreeable odor.", "taste": "pungent, repulsive taste", "functional_groups": "hydroxy compound@alcohol@primary alcohol", "inchi": "InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3", "volume3d": "79.5", "fooddb_flavor_profile": "oil@alcoholic@burnt@whiskey@malt@banana@fusel@fruity", "super_sweet": null, "bitter": 0, "supersweetdb_id": null, "bitterdb_id": null, "fooddb_id": "FDB008131", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "oil@alcoholic@burnt@whiskey@malt@banana@fusel@fruity"}, {"pubchem_id": 520326, "iupac_name": "3-methylbutyl 2-methylbutanoate", "common_name": "3-Methylbutyl 2-methylbutanoate", "smile": "CCC(C)C(=O)OCCC(C)C", "molecular_weight": 172.268, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 6, "complexity": 130.0, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 172.146, "exact_mass": 172.146, "xlogp": "3.2", "charge": 0, "heavy_atom_count": 12, "atom_stereo_count": 1, "defined_atom_stereocenter_count": 0, "undefined_atom_stereocenter_count": 1, "bond_stereo_count": 0, "defined_bond_stereocenter_count": 0, 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