pino-source-code / artifacts /genre_ingredient_pools.json
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v6: ConcentrationAwarePyramidHead + OAV fix + curated descriptors + integration
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{
"genre_pools": {
"citrus_cologne": [
"citrus_fresh",
"aromatic_herbal",
"floral_sweet"
],
"floral_woody": [
"floral_sweet",
"woody_amber",
"citrus_fresh"
],
"amber_oriental": [
"woody_amber",
"gourmand",
"floral_sweet"
],
"fougere": [
"aromatic_herbal",
"woody_amber",
"floral_sweet"
],
"wildcard": null
},
"chemical_family": {
"64-17-5": "citrus_fresh",
"67-63-0": "citrus_fresh",
"25265-71-8": "citrus_fresh",
"120-51-4": "citrus_fresh",
"84-66-2": "unclassified",
"138-86-3": "citrus_fresh",
"106-24-1": "floral_sweet",
"106-25-2": "citrus_fresh",
"106-22-9": "woody_amber",
"624-15-7": "woody_amber",
"99-85-4": "citrus_fresh",
"93-58-3": "floral_sweet",
"115-95-7": "citrus_fresh",
"105-87-3": "floral_sweet",
"150-84-5": "citrus_fresh",
"140-11-4": "floral_sweet",
"103-45-7": "floral_sweet",
"78-70-6": "floral_sweet",
"60-12-8": "floral_sweet",
"100-51-6": "floral_sweet",
"104-54-1": "floral_sweet",
"24851-98-7": "citrus_fresh",
"127-41-3": "floral_sweet",
"14901-07-6": "floral_sweet",
"127-51-5": "floral_sweet",
"1335-46-2": "floral_sweet",
"43052-87-5": "citrus_fresh",
"706-14-9": "floral_sweet",
"713-95-1": "gourmand",
"1222-05-5": "floral_sweet",
"21145-77-7": "floral_sweet",
"6790-58-5": "citrus_fresh",
"54464-57-2": "citrus_fresh",
"81-14-1": "floral_sweet",
"81-15-2": "citrus_fresh",
"105-95-3": "floral_sweet",
"541-91-3": "floral_sweet",
"83-66-9": "floral_sweet",
"77-53-2": "citrus_fresh",
"77-42-9": "unclassified",
"19870-74-7": "citrus_fresh",
"32388-55-9": "woody_amber",
"33704-61-9": "woody_amber",
"115-71-9": "unclassified",
"87-44-5": "citrus_fresh",
"97-53-0": "woody_amber",
"97-54-1": "floral_sweet",
"118-58-1": "citrus_fresh",
"90-05-1": "woody_amber",
"134-20-3": "floral_sweet",
"103-82-2": "floral_sweet",
"76-22-2": "citrus_fresh",
"2216-51-5": "citrus_fresh",
"16409-43-1": "citrus_fresh",
"6259-76-3": "citrus_fresh",
"4602-84-0": "floral_sweet",
"7212-44-4": "citrus_fresh",
"515-69-5": "floral_sweet",
"5986-55-0": "citrus_fresh",
"515-03-7": "citrus_fresh",
"7779-50-2": "woody_amber",
"104-67-6": "citrus_fresh",
"104-55-2": "floral_sweet",
"816-66-0": "citrus_fresh",
"600-18-0": "floral_sweet",
"328-50-7": "unclassified",
"SMILES:CC(CN)O": "citrus_fresh",
"SMILES:C1=CC(=CC=C1CO)O": "citrus_fresh",
"99-50-3": "woody_amber",
"56-12-2": "unclassified",
"501-52-0": "floral_sweet",
"123-08-0": "gourmand",
"64-19-7": "unclassified",
"60-35-5": "unclassified",
"99-96-7": "woody_amber",
"67-64-1": "citrus_fresh",
"SMILES:C(CCC(=O)O)CC(=O)O": "woody_amber",
"SMILES:C(CN)C(=O)O": "citrus_fresh",
"1132639-46-3": "gourmand",
"513-86-0": "gourmand",
"100-52-7": "floral_sweet",
"123-72-8": "citrus_fresh",
"65-85-0": "woody_amber",
"SMILES:CC(O)C(C)O": "citrus_fresh",
"SMILES:CCCCO": "woody_amber",
"SMILES:CCCC(=O)O": "woody_amber",
"SMILES:O=C(O)C=C(CC(=O)O)C(=O)O": "woody_amber",
"SMILES:O=C(O)CC(O)(CC(=O)O)C(=O)O": "floral_sweet",
"SMILES:CC(C)c1ccc(CO)cc1": "citrus_fresh",
"SMILES:CC(C)c1ccc(C=O)cc1": "citrus_fresh",
"SMILES:Cc1ccccc1O": "citrus_fresh",
"SMILES:C=Cc1ccc(O)c(OC)c1": "citrus_fresh",
"SMILES:O=C(O)c1ccccc1O": "woody_amber",
"SMILES:CCC=O": "woody_amber",
"SMILES:Cc1cccc(O)c1": "woody_amber",
"SMILES:CCCCCCCC=O": "citrus_fresh",
"SMILES:CCCCCCCC(=O)O": "woody_amber",
"SMILES:NC(CC(=O)O)C(=O)O": "woody_amber",
"SMILES:O=C(O)CC(O)C(=O)O": "woody_amber",
"SMILES:CSCCC(=O)O": "woody_amber",
"SMILES:O=C1CCc2ccccc2O1": "citrus_fresh",
"SMILES:CC(O)C(=O)O": "citrus_fresh",
"SMILES:CC(N)C(=O)O": "woody_amber",
"SMILES:CS(C)=O": "floral_sweet",
"SMILES:CC(=O)C(C)=O": "woody_amber",
"SMILES:O=C(CO)CO": "woody_amber",
"SMILES:O=C(O)C=CC(=O)O": "woody_amber",
"SMILES:OCC(O)CO": "citrus_fresh",
"SMILES:O=C(O)CCCC(=O)O": "woody_amber",
"SMILES:O=C(O)CO": "floral_sweet",
"SMILES:NCC(=O)O": "woody_amber",
"SMILES:CCC(C)C(N)C(=O)O": "woody_amber",
"SMILES:CC(C)CC(N)C(=O)O": "woody_amber",
"SMILES:NCCCCC(N)C(=O)O": "woody_amber",
"SMILES:c1ccc2ccccc2c1": "citrus_fresh",
"SMILES:O=C(O)C(O)C(O)C(=O)O": "woody_amber",
"SMILES:CCCCCCCCO": "woody_amber",
"SMILES:CC(=O)C=O": "citrus_fresh",
"SMILES:CSCCC(N)C(=O)O": "woody_amber",
"SMILES:O=C(O)C(=O)O": "woody_amber",
"SMILES:CCCCCCCCCCCCCCCC=O": "citrus_fresh",
"SMILES:O=C(O)C(=O)CO": "woody_amber",
"SMILES:CCCCCCCCCCCCCCCC(=O)O": "woody_amber",
"SMILES:NC(Cc1ccccc1)C(=O)O": "woody_amber",
"SMILES:Oc1ccccc1": "citrus_fresh",
"SMILES:CC(O)CO": "citrus_fresh",
"SMILES:NCCc1ccccc1": "woody_amber",
"SMILES:O=CCc1ccccc1": "woody_amber",
"SMILES:O=C(O)C(=O)Cc1ccccc1": "woody_amber",
"SMILES:CCCO": "woody_amber",
"SMILES:CCC(=O)O": "woody_amber",
"SMILES:c1ccncc1": "woody_amber",
"SMILES:NCCCCN": "citrus_fresh",
"SMILES:CSC": "woody_amber",
"SMILES:CC(=O)C(=O)O": "woody_amber",
"SMILES:O=C(O)CCC(=O)O": "woody_amber",
"SMILES:CNCC(=O)O": "citrus_fresh",
"SMILES:C1CCSC1": "gourmand",
"SMILES:Cc1ccccc1": "citrus_fresh",
"SMILES:CN(C)C": "woody_amber",
"SMILES:CC(C)C(N)C(=O)O": "woody_amber",
"SMILES:CC1CCCC2(C)CCCCC12O": "citrus_fresh",
"SMILES:COc1cc(C=O)ccc1O": "citrus_fresh",
"SMILES:CCCCCCCCCCCCCCCCO": "woody_amber",
"SMILES:O=C(O)c1ccc(O)cc1O": "woody_amber",
"SMILES:COc1cc(C(C)=O)ccc1O": "woody_amber",
"SMILES:Cc1ccc(O)cc1": "citrus_fresh",
"SMILES:CCCCCCCCCC(=O)O": "woody_amber",
"SMILES:CCOCC": "floral_sweet",
"SMILES:O=CCCCC=O": "woody_amber",
"SMILES:CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1": "woody_amber",
"SMILES:CCCCOC(=O)c1ccccc1C(=O)OCCCC": "citrus_fresh",
"SMILES:CCCCCCCCCCCC(=O)O": "woody_amber",
"SMILES:COC(=O)c1ccccc1O": "citrus_fresh",
"SMILES:C1CNCCN1": "woody_amber",
"SMILES:O=C(CCc1ccc(O)cc1)c1c(O)cc(O)cc1O": "citrus_fresh",
"SMILES:CC(C)c1cccc(C(C)C)c1O": "citrus_fresh",
"SMILES:Oc1cccc(O)c1": "citrus_fresh",
"SMILES:CCCOC(=O)c1cc(O)c(O)c(O)c1": "citrus_fresh",
"SMILES:CC(=O)OCC(COC(C)=O)OC(C)=O": "floral_sweet",
"SMILES:CCCCCCCCCCCCCCCCCC(=O)O": "woody_amber",
"SMILES:OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO": "citrus_fresh",
"SMILES:CC(C)(C)CC(C)(C)c1ccc(OCCO)cc1": "citrus_fresh",
"SMILES:N[C@@H](CS)C(=O)O": "woody_amber",
"SMILES:C=CCCCCCCCCC(=O)O": "citrus_fresh",
"SMILES:NCCc1ccc(O)cc1": "citrus_fresh",
"SMILES:N[C@@H](CC(=O)O)C(=O)O": "woody_amber",
"SMILES:NCCCC[C@H](N)C(=O)O": "woody_amber",
"SMILES:NC(=O)CC[C@H](N)C(=O)O": "woody_amber",
"SMILES:O=C(CO)[C@@H](O)[C@H](O)[C@H](O)CO": "citrus_fresh",
"SMILES:CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C": "citrus_fresh",
"SMILES:O[C@@H]1[C@@H](O)[C@@H](O)OC[C@H]1O": "gourmand",
"SMILES:N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O": "floral_sweet",
"SMILES:CCCCCC=O": "citrus_fresh",
"SMILES:CC(C)C[C@H](N)C(=O)O": "woody_amber",
"SMILES:N[C@@H](Cc1ccc(O)cc1)C(=O)O": "woody_amber",
"SMILES:CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC": "floral_sweet",
"SMILES:N[C@@H](Cc1ccccc1)C(=O)O": "woody_amber",
"SMILES:OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO": "citrus_fresh",
"SMILES:CCCCCO": "woody_amber",
"SMILES:NC(=O)C[C@H](N)C(=O)O": "woody_amber",
"SMILES:CC(C)[C@H](N)C(=O)O": "woody_amber",
"SMILES:CCS": "woody_amber",
"SMILES:CC(C)N": "woody_amber",
"SMILES:C[C@@H](O)[C@H](N)C(=O)O": "woody_amber",
"SMILES:CC[C@H](C)[C@H](N)C(=O)O": "woody_amber",
"SMILES:CC(C)(C)O": "woody_amber",
"SMILES:CC1CO1": "gourmand",
"SMILES:CCC(C)(C)O": "woody_amber",
"SMILES:CC(C)(O)C(C)(C)O": "woody_amber",
"SMILES:CCC(C)(O)CC": "woody_amber",
"SMILES:CC(=O)OC1CC2CCC1(C)C2(C)C": "gourmand",
"SMILES:CC(=O)OC1(C)CCC23CC1C(C)(C)[C@@H]2CC[C@H]3C": "citrus_fresh",
"SMILES:CCOC(=O)CC(CC(=O)OCC)(OC(C)=O)C(=O)OCC": "woody_amber",
"SMILES:CCOC(=O)C1OC1(C)c1ccccc1": "citrus_fresh",
"SMILES:C=CC(C)(CCC=C(C)C)OC(=O)C(C)C": "woody_amber",
"SMILES:CCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC": "woody_amber",
"SMILES:CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC": "woody_amber",
"SMILES:CCCCOC(=O)CC(CC(=O)OCCCC)(OC(C)=O)C(=O)OCCCC": "woody_amber",
"SMILES:CCC(C)(O)CCCC(C)C": "citrus_fresh",
"SMILES:CC1=CC(=O)CC(C)(C)C1": "gourmand",
"SMILES:CCC(C)C": "citrus_fresh",
"SMILES:CC(C)CO": "citrus_fresh",
"SMILES:C=C(C)C=O": "citrus_fresh",
"SMILES:CCC(C)O": "woody_amber",
"SMILES:CC(C)C=O": "woody_amber",
"SMILES:CC(C)CN": "woody_amber",
"SMILES:CCC(C)=O": "woody_amber",
"SMILES:C=CC(C)=O": "citrus_fresh",
"SMILES:C=C1C2CCC(C2)C1(C)C": "gourmand",
"SMILES:COC(C)=O": "woody_amber",
"SMILES:CC(C)=CCCC(C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3": "woody_amber",
"SMILES:CC(C)C(=O)O": "woody_amber",
"SMILES:CC(=O)OC(C)(C)C1CCC(C)CC1": "floral_sweet",
"SMILES:CC(C)(c1ccc(O)cc1)c1ccc(O)cc1": "citrus_fresh",
"SMILES:CC1=CCC2CC1C2(C)C": "woody_amber",
"SMILES:CC(=O)OC1(C(C)C)C=CC(C)CC1": "citrus_fresh",
"SMILES:C=C(C)C(=O)OC": "citrus_fresh",
"SMILES:CC1=C(O)C(=O)CC1": "woody_amber",
"SMILES:CC(CC=O)c1ccc(C(C)(C)C)cc1": "citrus_fresh",
"SMILES:CNc1ccccc1C(=O)OC": "citrus_fresh",
"SMILES:O=C(OC1CCCCC1)c1ccccc1C(=O)OC1CCCCC1": "citrus_fresh",
"SMILES:COc1ccccc1-c1ccccc1": "aromatic_herbal",
"SMILES:CCCCOC(=O)COC(=O)c1ccccc1C(=O)OCCCC": "citrus_fresh",
"SMILES:CC(C)COC(=O)c1ccccc1O": "citrus_fresh",
"SMILES:CC(C)CCOC(=O)c1ccccc1O": "citrus_fresh",
"SMILES:CCOC(=O)c1ccccc1N": "citrus_fresh",
"SMILES:OC[C@@H](O)C(O)[C@@H](O)CO": "citrus_fresh",
"SMILES:O=C1OCc2ccccc21": "aromatic_herbal",
"SMILES:CCC(CC)C(=O)O": "woody_amber",
"SMILES:CC(C)=C1CCC(C)C2=C(C1)C(C)CC2": "gourmand",
"SMILES:CC(=O)c1cccs1": "woody_amber",
"SMILES:Cc1ccc(C(C)(C)C)c(O)c1": "woody_amber",
"SMILES:CC(C)c1ccccc1O": "citrus_fresh",
"SMILES:CCc1cc2c(cc1C(C)=O)C(C)(C)CCC2(C)C": "floral_sweet",
"SMILES:CC1CCC(C(C)C)C(OC(=O)c2ccccc2O)C1": "citrus_fresh",
"SMILES:CC1CCC(C(C)C)C(=O)C1": "floral_sweet",
"SMILES:CC(=O)c1ccc(C)cc1C": "woody_amber",
"SMILES:CC(C)=C1CCC(C)CC1=O": "gourmand",
"SMILES:Cc1ccc(C(C)C)c(O)c1": "citrus_fresh",
"SMILES:O=Cc1ccccc1O": "citrus_fresh",
"SMILES:Cc1cccc2ccccc12": "citrus_fresh",
"SMILES:CC(=O)OC(c1ccccc1)C(Cl)(Cl)Cl": "citrus_fresh",
"SMILES:O=C1CCCCC1C1CCCCC1": "citrus_fresh",
"SMILES:O=C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O": "citrus_fresh",
"SMILES:OC(c1ccccc1)c1ccccc1": "citrus_fresh",
"SMILES:COc1cccc(OC)c1O": "aromatic_herbal",
"SMILES:COc1ccccc1OC": "aromatic_herbal",
"SMILES:c1ccc2ncccc2c1": "aromatic_herbal",
"SMILES:Cc1ccc2ccccc2c1": "citrus_fresh",
"SMILES:c1ccc(-c2ccccc2)cc1": "citrus_fresh",
"SMILES:Cc1ccc2ncccc2c1": "citrus_fresh",
"SMILES:CC(=O)c1ccc2ccccc2c1": "citrus_fresh",
"SMILES:COc1ccc2ccccc2c1": "floral_sweet",
"SMILES:C=CCc1ccc(OC)c(OC)c1": "floral_sweet",
"SMILES:CC=Cc1ccc(OC)c(OC)c1": "floral_sweet",
"SMILES:CCOc1ccc2ccccc2c1": "floral_sweet",
"SMILES:CC(C)Cc1ccc2ccccc2n1": "citrus_fresh",
"SMILES:C=CCc1ccc(OC(C)=O)c(OC)c1": "floral_sweet",
"SMILES:COc1cc(C)ccc1O": "woody_amber",
"SMILES:CC=Cc1ccc(OC(C)=O)c(OC)c1": "floral_sweet",
"SMILES:CC(C=O)c1ccccc1": "citrus_fresh",
"SMILES:CCC(O)c1ccccc1": "citrus_fresh",
"SMILES:CCC(=O)c1ccccc1": "citrus_fresh",
"SMILES:CCOC(=O)c1ccccc1": "citrus_fresh",
"SMILES:COC(=O)c1cccnc1": "citrus_fresh",
"SMILES:O=C(Oc1ccccc1)c1ccccc1": "citrus_fresh",
"SMILES:CC(=O)CC(=O)c1ccccc1": "woody_amber",
"SMILES:CCOC(=O)CC(=O)c1ccccc1": "citrus_fresh",
"SMILES:O=C(OOC(=O)c1ccccc1)c1ccccc1": "citrus_fresh",
"SMILES:CCCOC(=O)c1ccc(O)cc1": "citrus_fresh",
"SMILES:CCCCOC(=O)c1ccc(O)cc1": "woody_amber",
"SMILES:CC(C)CCOC(=O)c1ccccc1": "citrus_fresh",
"SMILES:CCCC(O)C(CC)CO": "citrus_fresh",
"SMILES:O=C(OCCc1ccccc1)c1ccccc1": "woody_amber",
"SMILES:Cc1ccccc1C": "citrus_fresh",
"SMILES:Cc1ccc(O)cc1C": "citrus_fresh",
"SMILES:CCC(C)C=O": "citrus_fresh",
"SMILES:Cc1ccc(C)c(O)c1": "woody_amber",
"SMILES:CC1OC1C1CCC2(C)OC2C1": "citrus_fresh",
"SMILES:CCC(C)CN": "woody_amber",
"SMILES:O=C1CCCO1": "citrus_fresh",
"SMILES:CCC(=O)CC": "woody_amber",
"SMILES:Cn1cccc1": "citrus_fresh",
"SMILES:C=C(C)C1CC=C(C)C(OC(C)=O)C1": "citrus_fresh",
"SMILES:CCOC(=O)C(C)C": "citrus_fresh",
"SMILES:C=C(C)C(=O)OCC": "citrus_fresh",
"SMILES:CCC(CC)CO": "citrus_fresh",
"SMILES:CCOC(=O)C(C)O": "citrus_fresh",
"SMILES:CCCCCCCCCCCC(=O)N(C)CC(=O)O": "woody_amber",
"SMILES:CC(C)COC(=O)C(C)C": "citrus_fresh",
"SMILES:CCC(C=O)CC": "woody_amber",
"SMILES:CCCCOC(=O)C(C)C": "citrus_fresh",
"SMILES:OCC1CCCO1": "citrus_fresh",
"SMILES:O=Cc1ccco1": "citrus_fresh",
"SMILES:CC(C)(C)C1CCC(O)CC1": "woody_amber",
"SMILES:O=Cc1cccs1": "citrus_fresh",
"SMILES:CC(C)(C)c1ccc(O)c(O)c1": "citrus_fresh",
"SMILES:CC(C)(C)C1CCC(=O)CC1": "woody_amber",
"SMILES:CC(O)c1ccccc1": "citrus_fresh",
"SMILES:CC(C)(C)c1ccc(O)cc1": "citrus_fresh",
"SMILES:C=C(C)C1CC=C(C)C(O)C1": "woody_amber",
"SMILES:O=C(O)C1CCCCC1": "woody_amber",
"SMILES:CC(=O)c1ccccc1": "woody_amber",
"SMILES:C=C(C)C1CC=C(C)C(=O)C1": "gourmand",
"SMILES:CC1=CCC(C(C)C)C=C1": "woody_amber",
"SMILES:CC1CCC(C(C)C)CC1": "floral_sweet",
"SMILES:COC(=O)c1ccc(C)cc1": "floral_sweet",
"SMILES:COC(=O)c1ccc(O)cc1": "woody_amber",
"SMILES:CC1=CC=C(C(C)C)CC1": "citrus_fresh",
"SMILES:Cc1ccc(C(C)C)cc1": "citrus_fresh",
"SMILES:CC(C)c1ccc(O)cc1": "citrus_fresh",
"SMILES:C=Cc1ccccc1": "citrus_fresh",
"SMILES:CC(=O)c1ccc(Cl)cc1": "woody_amber",
"SMILES:SCc1ccccc1": "woody_amber",
"SMILES:COc1ccc(C(=O)O)cc1": "woody_amber",
"SMILES:CC(=O)c1ccc(O)cc1": "woody_amber",
"SMILES:COc1ccc(C(C)=O)cc1": "woody_amber",
"SMILES:COc1ccccc1": "aromatic_herbal",
"SMILES:CSc1ccccc1": "woody_amber",
"SMILES:CCc1ccccn1": "citrus_fresh",
"SMILES:CC(C=O)=Cc1ccccc1": "citrus_fresh",
"SMILES:COc1cccc(C)c1": "floral_sweet",
"SMILES:CC(C)(O)Cc1ccccc1": "woody_amber",
"SMILES:c1ccc(CC2OCCO2)cc1": "citrus_fresh",
"SMILES:COC(=O)Cc1ccccc1": "floral_sweet",
"SMILES:c1ccc(Cc2ccccc2)cc1": "citrus_fresh",
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"8023-75-2": "woody_amber",
"8023-79-2": "floral_sweet",
"8023-91-4": "woody_amber",
"8024-13-1": "citrus_fresh",
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"8046-19-3": "citrus_fresh",
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"123-35-3": "citrus_fresh",
"80-54-6": "citrus_fresh",
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"127-91-3": "woody_amber",
"562-74-3": "citrus_fresh",
"5989-27-5": "citrus_fresh",
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"6485-40-1": "gourmand",
"2244-16-8": "gourmand",
"151-05-3": "woody_amber",
"79-69-6": "woody_amber",
"66068-84-6": "woody_amber",
"141-25-3": "citrus_fresh",
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},
"ingredient_pools": {
"citrus_cologne": [
"64-17-5",
"67-63-0",
"25265-71-8",
"120-51-4",
"138-86-3",
"106-24-1",
"106-25-2",
"99-85-4",
"93-58-3",
"115-95-7",
"105-87-3",
"150-84-5",
"140-11-4",
"103-45-7",
"78-70-6",
"60-12-8",
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"104-54-1",
"24851-98-7",
"127-41-3",
"14901-07-6",
"127-51-5",
"1335-46-2",
"43052-87-5",
"706-14-9",
"1222-05-5",
"21145-77-7",
"6790-58-5",
"54464-57-2",
"81-14-1",
"81-15-2",
"105-95-3",
"541-91-3",
"83-66-9",
"77-53-2",
"19870-74-7",
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"97-54-1",
"118-58-1",
"134-20-3",
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"76-22-2",
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"16409-43-1",
"6259-76-3",
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}