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"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": "5724-81-2", "fema_number": "3898", "fema_flavor_profile": "", "odor": "", "taste": "", "functional_groups": "imine@heterocyclic compound", "inchi": "InChI=1S/C4H7N/c1-2-4-5-3-1/h3H,1-2,4H2", "volume3d": "60.9", "fooddb_flavor_profile": "shrimp@ammoniacal", "super_sweet": "", "bitter": 0, "supersweetdb_id": "", "bitterdb_id": "", "fooddb_id": "FDB008292", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "shrimp@ammoniacal"}, {"pubchem_id": 26447, "iupac_name": "(2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one", "common_name": "Menthone", "smile": "CC1CCC(C(=O)C1)C(C)C", "molecular_weight": 154.253, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 1, "complexity": 149.0, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 154.136, "exact_mass": 154.136, "xlogp": "2.7", "charge": 0, "heavy_atom_count": 11, "atom_stereo_count": 2, "defined_atom_stereocenter_count": 2, "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": "14073-97-3@89-80-5", "fema_number": "2667", "fema_flavor_profile": "Green, Fresh, Mint", "odor": "slight peppermint odor@characteristic odor similar to menthol", "taste": "bitter", "functional_groups": "carbonyl compound@ketone", "inchi": "InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1", "volume3d": "132.8", "fooddb_flavor_profile": "herbal@peppermint@bitter@menthol@camphoraceous@raspberry@deep@camphor", "super_sweet": "", "bitter": 1, "supersweetdb_id": "", "bitterdb_id": "299", "fooddb_id": "FDB013800", "flavornet_id": 0, "fenoroli_and_os": 0, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "menthol@camphor@peppermint@deep@herbal@raspberry@bitter@camphoraceous"}, {"pubchem_id": 1549026, "iupac_name": "[(2E)-3,7-dimethylocta-2,6-dienyl] acetate", "common_name": "Geranyl Acetate", "smile": "CC(=CCCC(=CCOC(=O)C)C)C", "molecular_weight": 196.29, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 6, "complexity": 233.0, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 196.146, "exact_mass": 196.146, "xlogp": "3.5", "charge": 0, "heavy_atom_count": 14, "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": "33843-18-4@16409-44-2@68311-13-7@105-87-3", "fema_number": "2509", "fema_flavor_profile": "Lavender, Rose", "odor": "odor of lavender@sweet, fruity-floral, rosy, somewhat green and remotely lavender-like odor of moderate tenacity.@sweet, fragrant odor", "taste": "taste threshold values: taste characteristics at 20 ppm: green, floral, fruity with a citrus nuance@sweet, fruity, overall nondescript taste with notes resembling those of banana, pear, apple and peach, but not a purely sweet aftertaste.", "functional_groups": "carboxylic acid derivative@carboxylic acid ester@alkene", "inchi": "InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+", "volume3d": "172.4", "fooddb_flavor_profile": "rose@waxy@bitter@floral@lavender@green", "super_sweet": "", "bitter": 1, "supersweetdb_id": "", "bitterdb_id": "741", "fooddb_id": "FDB013794", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "waxy@rose@lavender@green@floral@bitter"}, {"pubchem_id": 5363388, "iupac_name": "[(Z)-hex-3-enyl] acetate", "common_name": "cis-3-Hexenyl acetate", "smile": "CCC=CCCOC(=O)C", "molecular_weight": 142.198, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 5, "complexity": 116.0, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 142.099, "exact_mass": 142.099, "xlogp": "1.9", "charge": 0, "heavy_atom_count": 10, "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": "3681-71-8@1708-82-3", "fema_number": "3171", "fema_flavor_profile": "Banana, Candy, Floral, Green", "odor": "", "taste": "", "functional_groups": "carboxylic acid derivative@carboxylic acid ester@alkene", "inchi": "InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4-", "volume3d": "122.9", "fooddb_flavor_profile": "apple@fresh@banana@sweet@fruity@grassy@green", "super_sweet": "", "bitter": 0, "supersweetdb_id": "", "bitterdb_id": "", "fooddb_id": "FDB019927", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "apple@fresh@banana@sweet@fruity@grassy@green"}, {"pubchem_id": 8139, "iupac_name": "methyl dodecanoate", "common_name": "Methyl Dodecanoate", "smile": "CCCCCCCCCCCC(=O)OC", "molecular_weight": 214.349, "hbd_count": 0, "hba_count": 2, "num_rotatablebonds": 11, "complexity": 144.0, "topological_polor_surfacearea": 26.3, "monoisotopic_mass": 214.193, "exact_mass": 214.193, "xlogp": "5.8", "charge": 0, "heavy_atom_count": 15, "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": "111-82-0", "fema_number": "2715", "fema_flavor_profile": "", "odor": "fatty, floral odor reminiscent of wine@oily, winey, fatty odor", "taste": "fatty taste", "functional_groups": "carboxylic acid derivative@carboxylic acid ester", "inchi": "InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3", "volume3d": "190.9", "fooddb_flavor_profile": "coconut@fat@waxy@creamy@soapy@mushroom", "super_sweet": "", "bitter": 0, "supersweetdb_id": "", "bitterdb_id": "", "fooddb_id": "FDB003011", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "coconut@fat@waxy@creamy@soapy@mushroom"}, {"pubchem_id": 7858, "iupac_name": "prop-2-en-1-ol", "common_name": "Allyl Alcohol", "smile": "C=CCO", "molecular_weight": 58.08, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 1, "complexity": 17.2, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 58.042, "exact_mass": 58.042, "xlogp": "0.2", "charge": 0, "heavy_atom_count": 4, "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": "107-18-6@62309-52-8", "fema_number": "", "fema_flavor_profile": "", "odor": "pungent, mustard-like odor", "taste": "", "functional_groups": "hydroxy compound@alcohol@primary alcohol@alkene", "inchi": "InChI=1S/C3H6O/c1-2-3-4/h2,4H,1,3H2", "volume3d": "52.6", "fooddb_flavor_profile": "mustard@pungent", "super_sweet": "", "bitter": 0, "supersweetdb_id": "", "bitterdb_id": "", "fooddb_id": "FDB008312", "flavornet_id": 0, "fenoroli_and_os": 0, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "mustard@pungent"}, {"pubchem_id": 16666, "iupac_name": "(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol", "common_name": "l-Menthol", "smile": "CC1CCC(C(C1)O)C(C)C", "molecular_weight": 156.269, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 1, "complexity": 120.0, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 156.151, "exact_mass": 156.151, "xlogp": "3.0", "charge": 0, "heavy_atom_count": 11, "atom_stereo_count": 3, "defined_atom_stereocenter_count": 3, "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": "20747-49-3@2216-51-5@89-78-1@491-02-1", "fema_number": "2665", "fema_flavor_profile": "Mint, Cool", "odor": "peppermint odor", "taste": "peppermint taste", "functional_groups": "hydroxy compound@alcohol@secondary alcohol", "inchi": "InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1", "volume3d": "134.3", "fooddb_flavor_profile": "cooling@tobacco@mentholic@peppermint@camphoraceous@minty", "super_sweet": "", "bitter": 0, "supersweetdb_id": "", "bitterdb_id": "", "fooddb_id": "FDB014499", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "cooling@tobacco@mentholic@peppermint@camphoraceous@minty"}, {"pubchem_id": 5281167, "iupac_name": "(Z)-hex-3-en-1-ol", "common_name": "(Z)-Hex-3-en-1-ol", "smile": "CCC=CCCO", "molecular_weight": 100.161, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 3, "complexity": 48.1, "topological_polor_surfacearea": 20.2, "monoisotopic_mass": 100.089, "exact_mass": 100.089, "xlogp": "1.3", "charge": 0, "heavy_atom_count": 7, "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": "928-96-1@928-97-2", "fema_number": "2563", "fema_flavor_profile": "Grass, Green Fruit, Green Leaf, Herb, Unripe Banana", "odor": "powerful grassy-green odor@strong odor resembling that of isoamyl alcohol, approaching the odor of green leaves when highly dilute@characteristic odor of freshly cut grass@green, grassy, melon rind-like with a pungent freshness", "taste": "fresh, green, raw fruity with a pungent depth", "functional_groups": "hydroxy compound@alcohol@primary alcohol@alkene", "inchi": "InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3-", "volume3d": "90.5", "fooddb_flavor_profile": "leafy@grass@foliage@vegetable@herbal@fresh@cut grass@oily@green", "super_sweet": "", "bitter": 0, "supersweetdb_id": "", "bitterdb_id": "", "fooddb_id": "FDB011497", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "leafy@grass@foliage@vegetable@herbal@fresh@cut grass@oily@green"}, {"pubchem_id": 7803, "iupac_name": "propyl propanoate", "common_name": "Propyl Propionate", "smile": "CCCOC(=O)CC", "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": "1.7", "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": "106-36-5", "fema_number": "2958", "fema_flavor_profile": "Apple, Banana, Pineapple", "odor": "", "taste": "", "functional_groups": "carboxylic acid derivative@carboxylic acid ester", "inchi": "InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3", "volume3d": "99.6", "fooddb_flavor_profile": "pineapple@sharp@chemical@bitter@sweet@pungent@fruity", "super_sweet": "", "bitter": 1, "supersweetdb_id": "", "bitterdb_id": "761", "fooddb_id": "FDB001367", "flavornet_id": 1, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "sweet@pungent@chemical@pineapple@sharp@bitter@fruity"}, {"pubchem_id": 439246, "iupac_name": "(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one", "common_name": "naringenin", "smile": "C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O", "molecular_weight": 272.256, "hbd_count": 3, "hba_count": 5, "num_rotatablebonds": 1, "complexity": 363.0, "topological_polor_surfacearea": 87.0, "monoisotopic_mass": 272.068, "exact_mass": 272.068, "xlogp": "2.4", "charge": 0, "heavy_atom_count": 20, "atom_stereo_count": 1, "defined_atom_stereocenter_count": 1, "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": "480-41-1", "fema_number": "4797", "fema_flavor_profile": "Can help to reduce the bitter character of certain flavor formulations", "odor": "", "taste": "", "functional_groups": "carbonyl compound@ketone@hydroxy compound@phenol or hydroxyhetarene@ether@alkyl aryl ether@aromatic compound@heterocyclic compound", "inchi": "InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1", "volume3d": "203.4", "fooddb_flavor_profile": "bitter", "super_sweet": "", "bitter": 0, "supersweetdb_id": "", "bitterdb_id": "", "fooddb_id": "FDB000678", "flavornet_id": 0, "fenoroli_and_os": 0, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "bitter"}, {"pubchem_id": 7894, "iupac_name": "3-methylbutan-1-amine", "common_name": "Isoamylamine", "smile": "CC(C)CCN", "molecular_weight": 87.166, "hbd_count": 1, "hba_count": 1, "num_rotatablebonds": 2, "complexity": 25.1, "topological_polor_surfacearea": 26.0, "monoisotopic_mass": 87.105, "exact_mass": 87.105, "xlogp": "1.0", "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": "107-85-7", "fema_number": "3219", "fema_flavor_profile": "", "odor": "", "taste": "", "functional_groups": "amine@primary amine@primary aliphatic amine (alkylamine)", "inchi": "InChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3", "volume3d": "79.6", "fooddb_flavor_profile": "unpleasant@ammonia", "super_sweet": "", "bitter": 0, "supersweetdb_id": "", "bitterdb_id": "", "fooddb_id": "FDB008319", "flavornet_id": 0, "fenoroli_and_os": 1, "natural": 1, "unknown_natural": 0, "synthetic": 0, "flavor_profile": "unpleasant@ammonia"}, {"pubchem_id": 6561, "iupac_name": "2-methylpropanal", "common_name": "Isobutyraldehyde", "smile": "CC(C)C=O", "molecular_weight": 72.107, "hbd_count": 0, "hba_count": 1, "num_rotatablebonds": 1, "complexity": 30.6, "topological_polor_surfacearea": 17.1, "monoisotopic_mass": 72.058, "exact_mass": 72.058, "xlogp": "0.8", "charge": 0, "heavy_atom_count": 5, "atom_stereo_count": 0, "defined_atom_stereocenter_count": 0, 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