MonarchInit/C3PO huggingface dataset:
Compound: 4-Methylhexan-3-one
SMILES: O=C(C(CC)C)CC
Compound: 3-Methylenehexyl acetate
SMILES: O(CCC(CCC)=C)C(=O)C
Compound: Isopropyl 2-methyl-2E-pentenoate
SMILES: O(C(C)C)C(=O)/C(=C/CC)/C
Compound: (E)-2-Methyl-2-butenyl butyrate
SMILES: O(C/C(/C)=C/C)C(=O)CCC
Compound: 2-Methyl-1,6-dioxaspiro[4.5]decane
SMILES: O1C2(OCCCC2)CCC1C
Compound: (5S,7S)-7-Methyl-1,6-dioxaspiro[4.5]decane
SMILES: O1[C@@]2(OCCC2)CCC[C@@H]1C
Compound: (S)-1,7-Dioxaspiro[5.5]undecane
SMILES: O1C2(OCCCC2)CCCC1
Compound: (5R,7S)-7-Methyl-1,6-dioxaspiro[4.5]decane
SMILES: O1[C@]2(OCCC2)CCC[C@@H]1C
Compound: 2S,5R-chalcogran
SMILES: O1[C@]2(OCCC2)CC[C@H]1CC
Compound: Nonan-2,5-dione
SMILES: O=C(CCCC)CCC(=O)C
Compound: 6Z-Nonenoic acid
SMILES: OC(=O)CCCC/C=C\CC
Compound: 2,6-Dimethyl-5-heptenoic acid
SMILES: OC(=O)C(CCC=C(C)C)C
Compound: 4E-nonenoic acid
SMILES: OC(=O)CC\C=C\CCCC
Compound: 3Z-nonenoic acid
SMILES: OC(=O)C/C=C\CCCCC
Compound: beta-nonylenic acid
SMILES: OC(=O)C\C=C\CCCCC
Compound: 1-(Methylsulfanyl)-1-oxopropan-2-yl acetate
SMILES: S(C(=O)C(OC(=O)C)C)C
Compound: 3',5'-diiodo-L-thyronine
SMILES: IC1=CC(OC2=CC=C(C[C@H]([NH3+])C([O-])=O)C=C2)=CC(I)=C1O
Compound: 1-(1-Methoxy-1-methylethyl)-4-methylbenzene
SMILES: O(C(C1=CC=C(C=C1)C)(C)C)C
Compound: Santalone
SMILES: O=C(C1(C2(C3C2CC1C3)C)C)C
Compound: Norecasantalal
SMILES: O=CCC1(C2(C3C2CC1C3)C)C
Compound: Norbicycloekasantalal
SMILES: O=CCC1(C2CC(CC2)C1=C)C
Compound: 2-methyl-4-phenyl-2-butanol
SMILES: CC(C)(O)CCC1=CC=CC=C1
Compound: Benzyl butyl ether
SMILES: O(CCCC)CC1=CC=CC=C1
Compound: Zapotidine
SMILES: S=C1N(CCC=2N1C=NC2)C
Compound: 2-fluorobenzoic acid
SMILES: OC(=O)c1ccccc1F
Compound: alpha-Teresantalic acid
SMILES: OC(=O)C1(C2(C3C2CC1C3)C)C
Compound: Perilla ketone
SMILES: O=C(CCC(C)C)C=1C=COC1
Compound: 4-Ethyl-1,2-dimethoxybenzene
SMILES: O(C=1C=C(CC)C=CC1OC)C
Compound: (1xi,4xi,6xi)-Carvone oxide
SMILES: O1C2(C1CC(CC2=O)C(C)=C)C
Compound: Wine lactone
SMILES: O1C2C(C(C1=O)C)CCC(=C2)C
Compound: 1,4-Epidioxy-p-mentha-2,8-diene
SMILES: O1OC2(CCC1(C=C2)C(C)=C)C
Compound: 1,2:3,4-Diepoxy-p-menth-8-ene
SMILES: O1C2C3OC3(CCC12C)C(C)=C
Compound: Isomintlactone
SMILES: O1C2CC(CCC2=C(C1=O)C)C
Compound: Marmelolactone A
SMILES: O1[C@@H](C[C@H](C1=O)C)/C=C/C(C)=C
Compound: Karahana lactone
SMILES: O1C2C(C(C(CC2)=C)C1=O)(C)C
Compound: Pentyl 2-furyl ketone
SMILES: O1C(C(=O)CCCCC)=CC=C1
Compound: 1,1-Dimethoxy-2-phenylethane
SMILES: O(C(OC)CC1=CC=CC=C1)C
Compound: (3E,8E)-suspensolide
SMILES: O1CC=C(CCC=CCC1=O)C
Compound: 2E,6Z,8E-decatrienoic acid
SMILES: OC(=O)\C=C\CC\C=C/C=C/C
Compound: 6-Hydroxy-2,6-dimethyl-2,7-octadien-4-one
SMILES: OC(CC(=O)C=C(C)C)(C)C=C
Compound: 5,6-Dihydro-6-pentyl-2H-pyran-2-one
SMILES: O1C(CCCCC)CC=CC1=O
Compound: Epoxyartemisia ketone
SMILES: O1C(C1C(=O)C(C)(C)C=C)(C)C
Compound: (xi)-(Z)-5-(3-Hexenyl)dihydro-2(3H)-furanone
SMILES: O1C(CCC1=O)CC/C=C\CC
Compound: (+/-)-Dihydromintlactone
SMILES: O1C2C(CCC(C2)C)C(C1=O)C
Compound: 2,4-Hexadienyl isobutyrate
SMILES: O(C(=O)C(C)C)C/C=C/C=C/C
Compound: 2,4-Hexadienyl butyrate
SMILES: O(C(=O)CCC)C/C=C/C=C/C
Compound: cis-3-Hexenyl crotonate
SMILES: O(CC/C=C\CC)C(=O)/C=C/C
Compound: (-)-(Z)-Tetrahydro-6-(2-pentenyl)-2H-pyran-2-one
SMILES: O1C(CCCC1=O)C/C=C/CC
Compound: 4-oxo-2E-Decenal
SMILES: O=C(CCCCCC)/C=C/C=O
Compound: 2E,6E-Octadienyl acetate
SMILES: O(C\C=C\CC/C=C/C)C(=O)C
Compound: 2E,6Z-Octadienyl acetate
SMILES: O(C\C=C\CC/C=C\C)C(=O)C
Compound: 2E,7-Octadienyl acetate
SMILES: O(C\C=C\CCCC=C)C(=O)C
Compound: propyl 2-heptynoate
SMILES: O(CCC)C(=O)C#CCCCC
Compound: butyl 2E,4E-hexadienoate
SMILES: O(CCCC)C(=O)/C=C/C=C/C
Compound: cis-eldanolide
SMILES: O1[C@H]([C@H](CC1=O)C)CC=C(C)C
Compound: 5'-dehydroadenosine
SMILES: [H]C(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Compound: Trans-eldanolide
SMILES: O1[C@@H]([C@H](CC1=O)C)CC=C(C)C
Compound: 3,7-dimethyl-2Z,6E-octadienoic acid
SMILES: OC(=O)/C=C(\CCC=C(C)C)/C
Compound: 7-decynoic acid
SMILES: OC(=O)CCCCCC#CCC
Compound: 6-decynoic acid
SMILES: OC(=O)CCCCC#CCCC
Compound: 4-decynoic acid
SMILES: OC(=O)CCC#CCCCCC
Compound: 3-decynoic acid
SMILES: OC(=O)CC#CCCCCCC
Compound: 5-decynoic acid
SMILES: OC(=O)CCCC#CCCCC
Compound: 9-decynoic acid
SMILES: OC(=O)CCCCCCCC#C
Compound: 8-decynoic acid
SMILES: OC(=O)CCCCCCC#CC
Compound: 2Z,4E-decadienoic acid
SMILES: OC(=O)/C=C\C=C\CCCCC
Compound: cis, cis-stillingic acid
SMILES: OC(=O)/C=C\C=C/CCCCC
Compound: 2E,6Z-decadienoic acid
SMILES: OC(=O)\C=C\CC/C=C\CCC
Compound: 2Z,6Z-decadienoic acid
SMILES: OC(=O)/C=C\CC/C=C\CCC
Compound: trans, cis-stillingic acid
SMILES: OC(=O)\C=C\C=C/CCCCC
Compound: 2E,6E-decadienoic acid
SMILES: OC(=O)\C=C\CC\C=C\CCC
Compound: 2,3-decadienoic acid
SMILES: [O-]C(=O)\C=C\[CH+]CCCCCC
Compound: 3,4-decadienoic acid
SMILES: OC(=O)CC=C=CCCCCC
Compound: 2Z,6E-decadienoic acid
SMILES: OC(=O)/C=C\CC\C=C\CCC
Compound: 2E,7Z-decadienoic acid
SMILES: OC(=O)\C=C\CCC/C=C\CC
Compound: 2E,7E-decadienoic acid
SMILES: OC(=O)\C=C\CCC/C=C/CC
Compound: 4,8-decadienoic acid
SMILES: OC(=O)CC\C=C\CC/C=C/C
Compound: 3Z,5E-decadienoic acid
SMILES: OC(=O)C/C=C\C=C\CCCC
Compound: 3E,5Z-decadienoic acid
SMILES: OC(=O)C\C=C\C=C/CCCC
Compound: 3,5-decadienoic acid
SMILES: OC(=O)C\C=C\C=C\CCCC
Compound: 5E,8E-decadienoic acid
SMILES: OC(=O)CCC/C=C/C/C=C/C
Compound: 4E,9-decadienoic acid
SMILES: OC(=O)CC\C=C\CCCC=C
Compound: 7,9-decadienoic acid
SMILES: OC(=O)CCCCC/C=C/C=C
Compound: 6E,8E-decadienoic acid
SMILES: OC(=O)CCCC/C=C/C=C/C
Compound: Aleprestic acid
SMILES: OC(=O)CCCCC1CCC=C1
Compound: 2R3R-epoxyneral
SMILES: O1[C@@]([C@@H]1C=O)(CCC=C(C)C)C
Compound: 2,4-Diamino-6-hydroxypyrimidine
SMILES: O=C1NC(=NC(N)=C1)N
Compound: 3-Methyl-1,2-cyclohexanedione
SMILES: O=C1C(CCCC1=O)C
Compound: Norpandamarilactonine A
SMILES: O1[C@@]([C@]2(NCCC2)[H])(C=C(C1=O)C)[H]
Compound: 2-(Ethoxymethyl)furan
SMILES: O(CC=1OC=CC1)CC
Compound: Allyl crotonate
SMILES: O(CC=C)C(=O)/C=C/C
Compound: 4-Hydroxy-4-methyl-5-hexenoic acid gamma lactone
SMILES: O1C(CCC1=O)(C)C=C
Compound: xi-5-Isopropyl-2(5H)-furanone
SMILES: O1C(C(C)C)C=CC1=O
Compound: 3,4-Dimethyl-1,2-cyclopentanedione
SMILES: O=C1C(C(CC1=O)C)C
Compound: 3,5-Dimethyl-1,2-cyclopentanedione
SMILES: O=C1C(CC(C1=O)C)C
Compound: 3E-Hepten-2,5-dione
SMILES: O=C(CC)/C=C/C(=O)C
Compound: 3Z-Hepten-2,5-dione
SMILES: O=C(CC)/C=C\C(=O)C
Compound: Buccoxime
SMILES: ON=C1C2(CCC1(CCC2)C)C
Compound: 4-Ethyl-5-pentyloxazole
SMILES: O1C(CCCCC)=C(N=C1)CC
Compound: 2-Butyl-5-ethyl-4-methyloxazole
SMILES: O1C(=NC(=C1CC)C)CCCC
Compound: 2,4-Diethyl-5-propyloxazole
SMILES: O1C(CCC)=C(N=C1CC)CC
Compound: 5-Butyl-4-ethyl-2-methyloxazole
SMILES: O1C(CCCC)=C(N=C1C)CC
Compound: 4-Butyl-2-ethyl-5-methyloxazole
SMILES: O1C(=C(N=C1CC)CCCC)C
Compound: 4,5-Dimethyl-2-pentyloxazole
SMILES: O1C(=NC(=C1C)C)CCCCC
Compound: Ethyl (E)-2-octenoate
SMILES: O(C(=O)\C=C\CCCCC)CC
Compound: 2,5-Diethyltetrahydrofuran
SMILES: O1C(CCC1CC)CC
Compound: (+/-)-(E)-2-Octen-4-ol
SMILES: OC(CCCC)/C=C/C
Compound: 2-Methyl-3-heptanone
SMILES: O=C(CCCC)C(C)C
Compound: 3,5-Dimethylhexanal
SMILES: O=CCC(CC(C)C)C
Compound: R-sulcatol
SMILES: O[C@@H](CCC=C(C)C)C
Compound: S-sulcatol
SMILES: O[C@H](CCC=C(C)C)C
Compound: 4-Methyl-4E-hepten-3-ol
SMILES: OC(/C(=C/CC)/C)CC
Compound: Rhynchophorol.
SMILES: OC(CC(C)C)/C=C/C
Compound: S-Rhynchophorol
SMILES: O[C@@H](CC(C)C)/C=C/C
Compound: 5-Methylheptan-3-one
SMILES: O=C(CC(CC)C)CC
Compound: 4R-Methylheptan-3-one
SMILES: O=C([C@@H](CCC)C)CC
Compound: 4S-Methylheptan-3-one
SMILES: O=C([C@H](CCC)C)CC
Compound: 3-Methylheptan-2-one
SMILES: O=C(C(CCCC)C)C
Compound: 3-Methylheptan-4-one
SMILES: O=C(C(CC)C)CCC
Compound: 5-Methylheptan-2-one
SMILES: O=C(CCC(CC)C)C
Compound: 6-Methylheptan-3-one
SMILES: O=C(CCC(C)C)CC
Compound: 1-Keto-D-chiro-inositol
SMILES: OC1[C@@H](O)[C@@H](O)C(=O)[C@H](O)[C@H]1O
Compound: 3,4-Diethylthiophene
SMILES: S1C=C(C(CC)=C1)CC
Compound: Bovolide
SMILES: O1/C(=C/CCCC)/C(=C(C1=O)C)C
Compound: (+)-Myrtenyl formate
SMILES: O(CC=1C2C(C(C2)CC1)(C)C)C=O
Compound: formyl 2E,4Z,6Z-decatrienoate
SMILES: O(C(=O)\C=C\C=C/C=C\CCC)C
Compound: formyl 2Z,4E,6Z-decatrienoate
SMILES: O(C(=O)\C=C/C=C/C=C\CCC)C
Compound: 2-Butyl-4,5-diethyloxazole
SMILES: O1C(=NC(=C1CC)CC)CCCC
Compound: 2-Hexyl-4,5-dimethyloxazole
SMILES: O1C(=NC(=C1C)C)CCCCCC
Compound: 2-Butyl-5-methyl-4-propyloxazole
SMILES: O1C(=NC(CCC)=C1C)CCCC
Compound: 4-Ethyl-5-methyl-2-pentyloxazol
SMILES: O1C(=NC(=C1C)CC)CCCCC
Compound: 5-Butyl-4-methyl-2-propyloxazole
SMILES: O1C(CCCC)=C(N=C1CCC)C
Compound: Methyl (2E,4Z)-decadienoate
SMILES: O(C(=O)\C=C\C=C/CCCCC)C
Compound: cis-3-Hexenyl tiglate
SMILES: O(CC/C=C\CC)C(=O)/C(/C)=C/C
Compound: xi-2-Hexyl-5-methyl-3(2H)-furanone
SMILES: O1C(CCCCCC)C(=O)C=C1C
Compound: (2E,6Z)-2,6-Nonadien-1-Yl acetate
SMILES: O(C/C=C\CC/C=C\CC)C(=O)C
Compound: (3E,6Z)-Nonadien-1-yl acetate
SMILES: O(CC/C=C/C/C=C\CC)C(=O)C
Compound: Allyl cyclohexylacetate
SMILES: O(C(=O)CC1CCCCC1)CC=C
Compound: Linalyl formate
SMILES: O(C(CCC=C(C)C)(C)C=C)C=O
Compound: 2,2,7,7-Tetramethyl-1,6-dioxaspiro[4.4]non-3-ene
SMILES: O1C2(OC(C=C2)(C)C)CCC1(C)C
Compound: 4-Hydroxy-4-methyl-7-decenoic acid gamma-lactone
SMILES: O1C(CCC1=O)(CC/C=C/CC)C
Compound: Tsibulin 2
SMILES: O=C1C(CCCCCC)CC(=O)C1
Compound: 5-Pentyl-3h-furan-2-one
SMILES: O1C(CCCCC)=CCC1=O
Compound: (E)-2-Hexenyl 2-methyl-(E)-2-butenoate
SMILES: O(C\C=C\CCC)C(=O)/C(/C)=C/C
Compound: formyl 2E,4E-decadienoate
SMILES: O(C(=O)\C=C\C=C\CCCCC)C
Compound: 3-undecynoic acid
SMILES: OC(=O)CC#CCCCCCCC
Compound: 5-undecynoic acid
SMILES: OC(=O)CCCC#CCCCCC
Compound: p-Ethylacetophenone
SMILES: O=C(C1=CC=C(CC)C=C1)C
Compound: 3,4,5-Trimethylbenzaldehyde
SMILES: O=CC1=CC(=C(C(=C1)C)C)C
Compound: 2,4,6-Trimethylbenzaldehyde
SMILES: O=CC1=C(C=C(C=C1C)C)C
Compound: 2,3,6-Trimethylbenzaldehyde
SMILES: O=CC=1C(=C(C=CC1C)C)C
Compound: 2',4'-Dimethylacetophenone
SMILES: O=C(C1=C(C=C(C=C1)C)C)C
Compound: 2-(4-Methylphenyl)propanal
SMILES: O=CC(C1=CC=C(C=C1)C)C
Compound: Teresantalal
SMILES: O=CC1(C2(C3C2CC1C3)C)C
Compound: 2-(4-Methylphenyl)-1-propanol
SMILES: OCC(C1=CC=C(C=C1)C)C
Compound: 2,6,6-Trimethyl-1,4-cyclohexadiene-1-carboxaldehyde
SMILES: O=CC=1C(C=CCC1C)(C)C
Compound: 5'-Demethoxydeoxypodophyllotoxin
SMILES: COc1ccc(cc1OC)[C@H]1[C@@H]2[C@H](COC2=O)Cc2cc3OCOc3cc12
Compound: 2-trans-4-trans-7-cis-Decatrienal
SMILES: O=C\C=C\C=C\C/C=C\CC
Compound: 1-Acetyl-4-isopropenylcyclopentene
SMILES: O=C(C=1CC(CC1)C(C)=C)C
Compound: 4-Phenyl-2-butanol
SMILES: OC(CCC1=CC=CC=C1)C
Compound: 2-Methyl-1-phenyl-2-propanol
SMILES: OC(CC1=CC=CC=C1)(C)C
Compound: (2E,4Z,7Z)-2,4,7-Decatrienal
SMILES: O=C\C=C\C=C/C/C=C\CC
Compound: N,N-Diethylbenzeneacetamide
SMILES: O=C(N(CC)CC)CC1=CC=CC=C1
Compound: 7Z,9-Decadienyl acetate
SMILES: O(CCCCCC/C=C\C=C)C(=O)C
Compound: 3E,5E-Decadienyl acetate
SMILES: O(CC\C=C\C=C\CCCC)C(=O)C
Compound: 3Z,5E-Decadienyl acetate
SMILES: O(CC/C=C\C=C\CCCC)C(=O)C
Compound: Isopropyl 2,4-dimethyl-2E,4E-heptadienoate
SMILES: O(C(C)C)C(=O)/C(=C/C(=C/CC)/C)/C
Compound: 2-hexenal
SMILES: [H]C(=O)C([H])=C([H])CCC
Compound: (E)-2-Hexenyl (E)-2-hexenoate
SMILES: O(C\C=C\CCC)C(=O)\C=C\CCC
Compound: (E)-2-Hexenyl (Z)-3-hexenoate
SMILES: O(C\C=C\CCC)C(=O)C/C=C\CC
Compound: Ethyl (E)-7,9-decadienoate
SMILES: O(C(=O)CCCCC/C=C/C=C)CC
Compound: Buibuilactone
SMILES: O1[C@H](CCC1=O)/C=C\CCCCCC
Compound: Cucujolide VIII
SMILES: O1CCCCCCCCC=CCC1=O
Compound: S-Cucujolide II
SMILES: O1[C@H](CCCCCCC=CCC1=O)C
Compound: 5-Dodecen-11-olide
SMILES: O1C(CCCCC=CCCCC1=O)C
Compound: 8-dodecynoic acid
SMILES: OC(=O)CCCCCCC#CCCC
Compound: 7-dodecynoic acid
SMILES: OC(=O)CCCCCC#CCCCC
Compound: 6-dodecynoic acid
SMILES: OC(=O)CCCCC#CCCCCC
Compound: 5-dodecynoic acid
SMILES: OC(=O)CCCC#CCCCCCC
Compound: 11-dodecynoic acid
SMILES: OC(=O)CCCCCCCCCC#C
Compound: 10-dodecynoic acid
SMILES: OC(=O)CCCCCCCCC#CC
Compound: 2Z,8E-dodecadienoic acid
SMILES: OC(=O)/C=C\CCCC/C=C/CCC
Compound: 2E,8Z-dodecadienoic acid
SMILES: OC(=O)\C=C\CCCC/C=C\CCC
Compound: 2Z,8Z-dodecadienoic acid
SMILES: OC(=O)/C=C\CCCC/C=C\CCC
Compound: 8Z,10E-dodecadienoic acid
SMILES: OC(=O)CCCCCC\C=C/C=C/C
Compound: 4-Amino-2-methyl-1-naphthol
SMILES: OC=1C=2C(C(N)=CC1C)=CC=CC2
Compound: (R)-Dihydrocitronellol
SMILES: OCCC(CCCC(C)C)C
Compound: 6-Methylnonan-3-ol
SMILES: OC(CCC(CCC)C)CC
Compound: 2-hydroxy-1-phenanthryl beta-D-glucopyranoside
SMILES: OC[C@H]1O[C@@H](Oc2c(O)ccc3c2ccc2ccccc32)[C@H](O)[C@@H](O)[C@@H]1O
Compound: Decan-2R-ol
SMILES: O[C@@H](CCCCCCCC)C
Compound: 4S,5S-ferrugineol
SMILES: O[C@H]([C@H](CCC)C)CCCC
Compound: 4-Methylnonan-1-ol
SMILES: OCCCC(CCCCC)C
Compound: Alanyl-Aspartate
SMILES: O=C(NC(CC(O)=O)C(O)=O)C(N)C
Compound: L-N-Carboxymethylserine
SMILES: OCC(NCC(O)=O)C(O)=O
Compound: alpha,alpha-Dimethylanisalacetone
SMILES: O=C(C(C)C)/C=C/C1=CC=C(OC)C=C1
Compound: Benzyl 2,3-dimethyl-2-butenoate
SMILES: O(CC1=CC=CC=C1)C(=O)C(=C(C)C)C
Compound: Cinnamyl isobutyrate
SMILES: O(C(=O)C(C)C)C/C=C/C1=CC=CC=C1
Compound: Cinnamyl butyrate
SMILES: O(C(=O)CCC)C/C=C/C1=CC=CC=C1
Compound: 2-Phenylethyl 3-methyl-2-butenoate
SMILES: O(CCC1=CC=CC=C1)C(=O)C=C(C)C
Compound: Phenethyl tiglate
SMILES: O(CCC1=CC=CC=C1)C(=O)/C(/C)=C/C
Compound: Coriose
SMILES: O[C@@H]([C@@H](O)C(=O)[C@H](O)CO)[C@H](O)CO
Compound: Oxacyclotetradecan-2-one
SMILES: O1CCCCCCCCCCCCC1=O
Compound: (+/-)-(E)-3-Methyl-4-decen-1-yl acetate
SMILES: O(CCC(/C=C/CCCCC)C)C(=O)C
Compound: 8Z-Undecenyl acetate
SMILES: O(CCCCCCC/C=C\CC)C(=O)C
Compound: 9Z-Undecenyl acetate
SMILES: O(CCCCCCCC/C=C\C)C(=O)C
Compound: 2-Undecenyl acetate
SMILES: O(C\C=C\CCCCCCCC)C(=O)C
Compound: 8E-Undecenyl acetate
SMILES: O(CCCCCCC/C=C/CC)C(=O)C
Compound: 9E-Undecenyl acetate
SMILES: O(CCCCCCCC/C=C/C)C(=O)C
Compound: 5Z-Undecenyl acetate
SMILES: O(CCCC/C=C\CCCCC)C(=O)C
Compound: 7Z-Undecenyl acetate
SMILES: O(CCCCCC/C=C\CCC)C(=O)C
Compound: 3-Methylene-7-methyl-7-octenyl propionate
SMILES: O(CCC(CCCC(C)C)=C)C(=O)CC
Compound: (Z)-7-Dodecenyl formate
SMILES: O(CCCCCC/C=C\CCCC)C=O
Compound: 2,7-Dipropyl-1,6-dioxaspiro[4.4]nonane
SMILES: O1C2(OC(CC2)CCC)CCC1CCC
Compound: 8-Methyl-2-propyl-1,7-dioxaspiro[5.5]undecane
SMILES: O1C2(OC(CCC2)C)CCCC1CCC
Compound: 7-Ethylundecane-4,6-dione
SMILES: O=C(C(CCCC)CC)CC(=O)CCC
Compound: 2-methylene dodecanoic acid
SMILES: OC(=O)C(CCCCCCCCCC)=C
Compound: Deoxyribose 5-monophosphate
SMILES: P(OC[C@H]1O[C@H](O)C[C@@H]1O)(O)(O)=O
Compound: Methyl 2,6-dihydroxy-4-quinolinecarboxylate
SMILES: O(C(=O)C=1C2=C(NC(=O)C1)C=CC(O)=C2)C
Compound: alpha-Valerenol
SMILES: OC\C(=C\C1C=2C(C(CC1)C)CCC2C)\C
Compound: alpha-Santal-10-en-12-ol
SMILES: OC/C(=C\CCC1(C2(C3C2CC1C3)C)C)/C
Compound: Humulene epoxide II
SMILES: O1[C@]2([C@]1(CCC(=CCC(C=CC2)(C)C)C)[H])C
Compound: Humuladienone
SMILES: O=C1C(CC=CC(CC=C(CC1)C)(C)C)C
Compound: Humulene epoxide I
SMILES: O1C2(C1CCC(=CCC(C=CC2)(C)C)C)C
Compound: Bisacurol
SMILES: OC(CC(C1CCC(C=C1)=C)C)C=C(C)C
Compound: Calacone
SMILES: O=C1C(CCC(=C1CCC(C)=C)C(C)C)C
Compound: Eremofukinone
SMILES: O=C1[C@]2([C@@]([C@H](CC1)C)(C[C@@H](CC2)C(C)=C)C)[H]
Compound: Bisabolene oxide
SMILES: O1C2(C(CC1C=C(C)C)C)CCC(=CC2)C
Compound: 1,5-Epoxy-4(14)-salvialene
SMILES: O1C2C3(C(C(CC3)C(C)C)C1C(CC2)=C)C
Compound: Epoxyguaiene
SMILES: O1C2(C1(C)C)CC3=C(C(CC2)C)CCC3C
Compound: Isoacolamone
SMILES: O=C1[C@@]2([C@@](CC[C@H]1C(C)C)(CCC=C2C)C)[H]
Compound: (R)-2,7(14),9-Bisabolatrien-11-ol
SMILES: OC(\C=C\CC(C1CCC(=CC1)C)=C)(C)C
Compound: Fukinone
SMILES: O=C1C[C@@]2([C@@]([C@H](CCC2)C)(CC1=C(C)C)C)[H]
Compound: Cabreuva oxide D
SMILES: O1C([C@]2([C@@](C[C@]1(C)C=C)(C=C(CC2)C)[H])[H])(C)C
Compound: Acolamone
SMILES: O=C1[C@@]2([C@@](CC[C@H]1C(C)C)(CCCC2=C)C)[H]
Compound: beta-Costol
SMILES: OCC(C1CC2C(CC1)(CCCC2=C)C)=C
Compound: (6Z,9Z,12Z)-6,9,12-Pentadecatrien-2-one
SMILES: O=C(CCC/C=C/C/C=C\C/C=C/CC)C
Compound: Italicene ether
SMILES: O1C2C3(C(C1(C)C)CCC3C)CCC(=C2)C
Compound: Aromadendrene epoxide
SMILES: O1C2(C3C(C4C(C4(C)C)CC2)C(CC3)C)C1
Compound: (2R,6S,7S,10Z)-beta-Santala-3(15),10-dien-12-ol
SMILES: OC/C(=C\CCC1(C2CC(C1=C)CC2)C)/C
Compound: Dihydronootkatone
SMILES: O=C1C[C@]2([C@]([C@@H](C1)C)(C[C@@H](CC2)C(C)=C)C)[H]
Compound: alpha-Bergamotenol
SMILES: OC/C(=C\CCC1(C2CC1C(=CC2)C)C)/C
Compound: trans-beta-Santalol
SMILES: OC\C(=C\CC[C@@]1([C@@]2(C[C@](C1=C)(CC2)[H])[H])C)\C
Compound: 3,15-Epoxy-6-caryophyllene
SMILES: O1C2(C3C(C(C3)(C)C)CCC(=CCC2)C)C1
Compound: 8alpha-3-Copaen-8-ol
SMILES: OC1C(C2C3C(C2C(=CC3)C)(C1)C)C(C)C
Compound: beta-Betulenol
SMILES: OCC=1CCC2C(CC2C(CCC1)=C)(C)C
Compound: Apritone
SMILES: O=C1C(CCC1)C/C=C(/CCC=C(C)C)\C
Compound: Vetiverol
SMILES: OC1CC(C2C(CC(C2)=C(C)C)C(=C1)C)C
Compound: 11-Copaen-4-ol
SMILES: OC1(C2C3(C(C2C(CC3)C(C)=C)CC1)C)C
Compound: 4(15)-Copaen-11-ol
SMILES: OC(C1C2C3C(C2C(CC3)=C)(CC1)C)(C)C
Compound: Acoragermacrone
SMILES: O=C1[C@H](C(C)C)CCC(=CCCC(=C1)C)C
Compound: 1beta,10beta-Epoxy-nardosinane
SMILES: O1[C@@]23[C@]([C@@H](CC[C@@]12[H])C)([C@@H](CCC3)C(C)=C)C
Compound: ent-9-Aristen-8alpha-ol
SMILES: O[C@@H]1C2[C@@](C2(C)C)([C@]3([C@@H](CCCC3=C1)C)C)[H]
Compound: (-)-1(10),11-Eremophiladien-9beta-ol
SMILES: O[C@@H]1C=2[C@@]([C@H](CCC2)C)(C[C@@H](C1)C(C)=C)C
Compound: Ishwarol
SMILES: OC1C23[C@@](CC4C(C4C2)(C3)C)([C@@H](CC1)C)C
Compound: (+)-8-Drimen-7-one
SMILES: O=C1C[C@@]2([C@](CCCC2(C)C)(C(=C1C)C)C)[H]
Compound: 3-Copaene-2-ol
SMILES: O[C@@H]1[C@@]2(C3(C([C@]2([C@H](CC3)C(C)C)[H])C(=C1)C)C)[H]
Compound: 5,10-Epoxy-muurolane
SMILES: O1[C@@]2([C@]3([C@@]([C@H](CC2)C(C)C)(C1=C(CC3)C)[H])[H])C
Compound: (+)-Khusimol
SMILES: OC[C@@H]1[C@@]23[C@](CC1)(C(C(C(C2)CC3)(C)C)=C)[H]
Compound: Suberosanone
SMILES: O=C1[C@@H]([C@@]23[C@]([C@@](C(C2)(C)C)(CC[C@@H]3C)[H])(C1)[H])C
Compound: 14-Hydroxy-modhephene
SMILES: OC[C@@]1([C@@]23[C@@]([C@H](CC2)C)(CCC3)C(=C1)C)C
Compound: 2-Hexenoylcholine
SMILES: O(CC[N+](C)(C)C)C(=O)/C=C/CCC
Compound: 3,6-Dimethyl-2(3H)-benzofuranone
SMILES: O1C2=C(C(C1=O)C)C=CC(=C2)C
Compound: Cinnamyl formate
SMILES: O(C\C=C\C1=CC=CC=C1)C=O
Compound: Isosalsolidine
SMILES: O(C=1C=C2C(=CC1OC)C=CN=C2C)C
Compound: 3-(4-Methoxyphenyl)-2-propenal
SMILES: O(C1=CC=C(C=C1)/C=C/C=O)C
Compound: (2E,11Z)-5-[5-(Methylthio)-4-penten-2-ynyl]-2-furanacrolein
SMILES: S(/C=C\C#CCC=1OC(=CC1)/C=C\C=O)C
Compound: 4'-hydroxymephenytoin
SMILES: O=C1N(C(=O)N[C@@]1(CC)C2=CC=C(O)C=C2)C
Compound: (-)-Kanshone A
SMILES: OC([C@]1([C@]2([C@@H](CCC=C2C(=O)CC1)C)C)[H])(C)C
Compound: (2S,4R,5S)-Muscarine
SMILES: O1C(C[N+](C)(C)C)CC(O)C1C
Compound: Butyrylcholine
SMILES: O(CC[N+](C)(C)C)C(=O)CCC
Compound: 2,4-Dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one
SMILES: O1C2=C(N(O)C(=O)C1O)C=CC(OC)=C2OC
Compound: 4,12-dimethyl-tridecanoic acid
SMILES: OC(=O)CCC(CCCCCCCC(C)C)C
Compound: 2-methyl-tetradecanoic acid
SMILES: OC(=O)C(CCCCCCCCCCCC)C
Compound: Methyl 2,4,8-trimethylundecanoate
SMILES: O(C(=O)C(CC(CCCC(CCC)C)C)C)C
Compound: 1,3,5,7-Tetramethyldecyl formate
SMILES: O(C(CC(CC(CC(CCC)C)C)C)C)C=O
Compound: Undecyl isobutyrate
SMILES: O(CCCCCCCCCCC)C(=O)C(C)C
Compound: formyl 3,5-dimethyl-dodecanoate
SMILES: O(C(=O)CC(CC(CCCCCCC)C)C)C
Compound: propionyl dodecanoate
SMILES: O(C(=O)CCCCCCCCCCC)CCC
Compound: undecyl butyrate
SMILES: O(CCCCCCCCCCC)C(=O)CCC
Compound: 2-hydroxy-3-carboxybenzylidenepyruvic acid
SMILES: OC(=O)C(=O)\C=C\c1cccc(C(O)=O)c1O
Compound: 10R-Methyldodecyl acetate
SMILES: O(CCCCCCCCCC(CC)C)C(=O)C
Compound: Tridecyl acetate
SMILES: O(CCCCCCCCCCCCC)C(=O)C
Compound: 11-methyl-tetradecanoic acid
SMILES: OC(=O)CCCCCCCCCC(CCC)C
Compound: 3-methyl-tetradecanoic acid
SMILES: OC(=O)CC(CCCCCCCCCCC)C
Compound: 3,7,11-trimethyl-dodecanoic acid
SMILES: OC(=O)CC(CCCC(CCCC(C)C)C)C
Compound: 13:0(12Me,12Me)
SMILES: OC(=O)CCCCCCCCCCC(C)(C)C
Compound: 3,5-Dimethyltridecanoic acid
SMILES: OC(=O)CC(CC(CCCCCCCC)C)C
Compound: Bufotenidine
SMILES: [O-]C1=CC=2C(CC[N+](C)(C)C)=CNC2C=C1
Compound: Isoamyl p-anisate
SMILES: O(CCC(C)C)C(=O)C1=CC=C(OC)C=C1
Compound: (E)-3,7-Dimethyl-2,6-octadienyl butyrate
SMILES: O(C\C=C(\CCC=C(C)C)/C)C(=O)CCC
Compound: 2-hydroxy-3-methylbenzylidenepyruvic acid
SMILES: Cc1cccc(\C=C\C(=O)C(O)=O)c1O
Compound: (E)-2-Hexenyl (E)-2-octenoate
SMILES: O(C\C=C\CCC)C(=O)\C=C\CCCCC
Compound: 9Z,11-Dodecadienyl acetate
SMILES: O(CCCCCCCC/C=C\C=C)C(=O)C
Compound: 3Z,5E-Dodecadienyl acetate
SMILES: O(CC/C=C\C=C\CCCCCC)C(=O)C
Compound: 8E,10Z-Dodecadienyl acetate
SMILES: O(CCCCCCC/C=C/C=C\C)C(=O)C
Compound: 8Z,10Z-Dodecadienyl acetate
SMILES: O(CCCCCCC\C=C/C=C\C)C(=O)C
Compound: 8Z,10E-Dodecadienyl acetate
SMILES: O(CCCCCCC/C=C\C=C\C)C(=O)C
Compound: 5Z,7Z-Dodecadienyl acetate
SMILES: O(CCCC\C=C/C=C\CCCC)C(=O)C
Compound: 7Z,9Z-Dodecadienyl acetate
SMILES: O(CCCCCC\C=C/C=C\CC)C(=O)C
Compound: 5Z,7E-Dodecadienyl acetate
SMILES: O(CCCC/C=C\C=C\CCCC)C(=O)C
Compound: 7Z,9E-Dodecadienyl acetate
SMILES: O(CCCCCC/C=C\C=C\CC)C(=O)C
Compound: 9E,11-Dodecadienyl acetate
SMILES: O(CCCCCCCC/C=C/C=C)C(=O)C
Compound: 7E,9Z-Dodecadienyl acetate
SMILES: O(CCCCCC/C=C/C=C\CC)C(=O)C
Compound: 8E,10E-Dodecadienyl acetate
SMILES: O(CCCCCCC/C=C/C=C/C)C(=O)C
Compound: 5E,7Z-Dodecadienyl acetate
SMILES: O(CCCC/C=C/C=C\CCCC)C(=O)C
Compound: 4E,10E-Dodecadienyl acetate
SMILES: O(CCC\C=C\CCCC/C=C/C)C(=O)C
Compound: 5E,7E-Dodecadienyl acetate
SMILES: O(CCCC/C=C/C=C/CCCC)C(=O)C
Compound: 7E,9E-Dodecadienyl acetate
SMILES: O(CCCCCC/C=C/C=C/CC)C(=O)C
Compound: R-cucujolide III
SMILES: O1[C@@H](CCCCCCC=CCCCC1=O)C
Compound: 12-tetradecynoic acid
SMILES: OC(=O)CCCCCCCCCCC#CC
Compound: 11-tetradecynoic acid
SMILES: OC(=O)CCCCCCCCCC#CCC
Compound: 4-tetradecynoic acid
SMILES: OC(=O)CCC#CCCCCCCCCC
Compound: 3-tetradecynoic acid
SMILES: OC(=O)CC#CCCCCCCCCCC
Compound: 7-tetradecynoic acid
SMILES: OC(=O)CCCCCC#CCCCCCC
Compound: 13-tetradecynoic acid
SMILES: OC(=O)CCCCCCCCCCCC#C
Compound: 2E,4E-tetradecadienoic acid
SMILES: OC(=O)\C=C\C=C\CCCCCCCCC
Compound: 10Z,12E-tetradecadienoic acid
SMILES: OC(=O)CCCCCCCC/C=C\C=C\C
Compound: 3Z,5Z-tetradecadienoic acid
SMILES: OC(=O)C\C=C/C=C\CCCCCCCC
Compound: 3,4-tetradecadienoic acid
SMILES: OC(=O)CC=C=CCCCCCCCCC
Compound: Geranyl 2-ethylbutyrate
SMILES: O(C(=O)C(CC)CC)C\C=C(\CCC=C(C)C)/C
Compound: Ethyl (Z,Z)-5,8-tetradecadienoate
SMILES: O(C(=O)CCC/C=C/C/C=C\CCCCC)CC
Compound: Linalyl hexanoate
SMILES: O(C(CCC=C(C)C)(C)C=C)C(=O)CCCCC
Compound: (E)-3,7-Dimethyl-2,6-octadienyl hexanoate
SMILES: O(C(=O)CCCCC)C\C=C(\CCC=C(C)C)/C
Compound: 3-oxo-9Z-Hexadecenal
SMILES: O=C(CCCCC/C=C\CCCCCC)CC=O
Compound: (Z)-3-Dodecenyl (E)-2-butenoate
SMILES: O(CC/C=C\CCCCCCCC)C(=O)/C=C/C
Compound: (Z)-3-Decenyl (E)-2-hexenoate
SMILES: O(CC/C=C\CCCCCC)C(=O)\C=C\CCC
Compound: (Z)-3-Decenyl (E)-3-hexenoate
SMILES: O(CC/C=C\CCCCCC)C(=O)C/C=C/CC
Compound: 10Z,12Z-Tetradecadienyl acetate
SMILES: O(CCCCCCCCC\C=C/C=C\C)C(=O)C
Compound: 9Z,11Z-Tetradecadienyl acetate
SMILES: O(CCCCCCCC/C=C\C=C/CC)C(=O)C
Compound: 9Z,12Z-Tetradecadienyl acetate
SMILES: O(CCCCCCCC/C=C\C/C=C\C)C(=O)C
Compound: 9E,11Z-Tetradecadienyl acetate
SMILES: O(CCCCCCCC/C=C/C=C\CC)C(=O)C
Compound: 11Z,13-Tetradecadienyl acetate
SMILES: O(CCCCCCCCCC/C=C\C=C)C(=O)C
Compound: 3E,8Z-Tetradecadienyl acetate
SMILES: O(CC\C=C\CCC/C=C\CCCCC)C(=O)C
Compound: 4E,10Z-Tetradecadienyl acetate
SMILES: O(CCC\C=C\CCCC/C=C\CCC)C(=O)C
Compound: 4E,9Z-Tetradecadienyl acetate
SMILES: O(CCC\C=C\CCC/C=C\CCCC)C(=O)C
Compound: 8E,10Z-Tetradecadienyl acetate
SMILES: O(CCCCCCC/C=C/C=C\CCC)C(=O)C
Compound: 3E,7Z-Tetradecadienyl acetate
SMILES: O(CC\C=C\CC/C=C\CCCCCC)C(=O)C
Compound: 10Z,12E-Tetradecadienyl acetate
SMILES: O(CCCCCCCCC/C=C\C=C\C)C(=O)C
Compound: 3Z,5E-Tetradecadienyl acetate
SMILES: O(CC/C=C\C=C\CCCCCCCC)C(=O)C
Compound: 8Z,10E-Tetradecadienyl acetate
SMILES: O(CCCCCCC/C=C\C=C\CCC)C(=O)C
Compound: 9E,11-Tetradecadienyl acetate
SMILES: O(CCCCCCCC/C=C/C=C/CC)C(=O)C
Compound: 2-hydroxy-4-(1-oxo-1,3-dihydro-2H-inden-2-ylidene) but-2-enoic acid
SMILES: [H]C(C([H])=C1Cc2ccccc2C1=O)=C(O)C(O)=O
Compound: 11E,13-Tetradecadienyl acetate
SMILES: O(CCCCCCCCCC/C=C/C=C)C(=O)C
Compound: 9E,12E-Tetradecadienyl acetate
SMILES: O(CCCCCCCC/C=C/C/C=C/C)C(=O)C
Compound: 10E,12Z-Tetradecadienyl acetate
SMILES: O(CCCCCCCCC/C=C/C=C\C)C(=O)C
Compound: 3E,5Z-Tetradecadienyl acetate
SMILES: O(CC\C=C\C=C/CCCCCCCC)C(=O)C
Compound: 10E,12E-Tetradecadienyl acetate
SMILES: O(CCCCCCCCC/C=C/C=C/C)C(=O)C
Compound: 3E,5E-Tetradecadienyl acetate
SMILES: O(CC\C=C\C=C\CCCCCCCC)C(=O)C
Compound: 8E,10E-Tetradecadienyl acetate
SMILES: O(CCCCCCC/C=C/C=C/CCC)C(=O)C
Compound: 5Z,9Z-hexadecadienoic acid
SMILES: OC(=O)CCC/C=C\CC/C=C\CCCCCC
Compound: 2-hexadecynoic acid
SMILES: OC(=O)C#CCCCCCCCCCCCCC
Compound: 4-hexadecynoic acid
SMILES: OC(=O)CCC#CCCCCCCCCCCC
Compound: 2-hydroxy-4-(2-oxo-1,3-dihydro-2H-inden-1-ylidene) but-2-enoic acid
SMILES: [H]C(C([H])=C1C(=O)Cc2ccccc12)=C(O)C(O)=O
Compound: 2E,4Z-hexadecadienoic acid
SMILES: OC(=O)/C=C/C=C\CCCCCCCCCCC
Compound: 8Z,10Z-hexadecadienoic acid
SMILES: OC(=O)CCCCCC\C=C/C=C\CCCCC
Compound: 3Z,9Z-hexadecadienoic acid
SMILES: OC(=O)C/C=C\CCCC/C=C\CCCCCC
Compound: 2E,4E-hexadecadienoic acid
SMILES: OC(=O)\C=C\C=C\CCCCCCCCCCC
Compound: 5-Chloro-1,3-dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one
SMILES: ClC1=CC=2NC(=O)N(C3CCNCC3)C2C=C1
Compound: Thienodihydropyridinium
SMILES: ClC=1C(C[N+]=2CCC=3SC=CC3C2)=CC=CC1
Compound: tert-Butylbicyclophosphorothionate
SMILES: S=P12OCC(C(C)(C)C)(CO1)CO2
Compound: Pentyl cinnamaldehyde
SMILES: O=CC(CCCCC)=CC1=CC=CC=C1
Compound: Isopropyl 7Z-tetradecenoate
SMILES: O(C(=O)CCCCC/C=C\CCCCCC)C(C)C
Compound: Isopropyl 5Z-tetradecenoate
SMILES: O(C(=O)CCC/C=C\CCCCCCCC)C(C)C
Compound: 2-hydroxy-4-hydroxymethylbenzylidenepyruvic acid
SMILES: [H]C(=CC(=O)C(O)=O)c1ccc(CO)cc1O
Compound: Isopropyl 9Z-tetradecenoate
SMILES: O(C(=O)CCCCCCC/C=C\CCCC)C(C)C
Compound: (Z)-11-Hexadecenyl formate
SMILES: O(CCCCCCCCCC/C=C\CCCC)C=O
Compound: formyl 8Z-hexadecenoate
SMILES: O(C(=O)CCCCCC/C=C\CCCCCCC)C
Compound: formyl 7E-hexadecenoate
SMILES: O(C(=O)CCCCC\C=C\CCCCCCCC)C
Compound: 8Z-Pentadecenyl acetate
SMILES: O(CCCCCCC/C=C\CCCCCC)C(=O)C
Compound: 9Z-Pentadecenyl acetate
SMILES: O(CCCCCCCC/C=C\CCCCC)C(=O)C
Compound: 10Z-Pentadecenyl acetate
SMILES: O(CCCCCCCCC/C=C\CCCC)C(=O)C
Compound: 12Z-Pentadecenyl acetate
SMILES: O(CCCCCCCCCCC/C=C\CC)C(=O)C
Compound: 12E-Pentadecenyl acetate
SMILES: O(CCCCCCCCCCC/C=C/CC)C(=O)C
Compound: 9E-Pentadecenyl acetate
SMILES: O(CCCCCCCC/C=C/CCCCC)C(=O)C
Compound: 7-Ethylpentadecane-4,6-dione
SMILES: O=C(C(CCCCCCCC)CC)CC(=O)CCC
Compound: 5-Ethylpentadecane-2,4-dione
SMILES: O=C(C(CCCCCCCCCC)CC)CC(=O)C
Compound: 17:1(12Z)
SMILES: OC(=O)CCCCCCCCCC/C=C\CCCC
Compound: 7-heptadecenoic acid
SMILES: OC(=O)CCCCC\C=C\CCCCCCCCC
Compound: 3-heptadecenoic acid
SMILES: OC(=O)C\C=C\CCCCCCCCCCCCC
Compound: 2Z-heptadecenoic acid
SMILES: OC(=O)/C=C\CCCCCCCCCCCCCC
Compound: 8E-heptadecenoic acid
SMILES: OC(=O)CCCCCC\C=C\CCCCCCCC
Compound: 7Z-heptadecenoic acid
SMILES: OC(=O)CCCCC/C=C\CCCCCCCCC
Compound: 7-methyl-6E-hexadecenoic acid
SMILES: OC(=O)CCCC\C=C(\CCCCCCCCC)/C
Compound: 10-methyl-9-hexadecenoic acid
SMILES: OC(=O)CCCCCCC\C=C(\CCCCCC)/C
Compound: 14S-methyl-8Z-hexadecenoic acid
SMILES: OC(=O)CCCCCC/C=C\CCCC[C@H](CC)C
Compound: 14R-methyl-8Z-hexadecenoic acid
SMILES: OC(=O)CCCCCC/C=C\CCCC[C@@H](CC)C
Compound: 16:1(8Z)(15Me)
SMILES: OC(=O)CCCCCC/C=C\CCCCCC(C)C
Compound: 16:1(6Z)(15Me)
SMILES: OC(=O)CCCC/C=C\CCCCCCCC(C)C
Compound: 16:1(10Z)(15Me)
SMILES: OC(=O)CCCCCCCC/C=C\CCCC(C)C
Compound: 16:1(9Z)(15Me)
SMILES: OC(=O)CCCCCCC/C=C\CCCCC(C)C
Compound: 10-keto palmitic acid
SMILES: O=C(CCCCCCCCC(O)=O)CCCCCC
Compound: 2-methyl-4-oxo-pentadecanoic acid
SMILES: O=C(CCCCCCCCCCC)CC(C)C(O)=O
Compound: 10-oxo-14-methyl-pentadecanoic acid
SMILES: O=C(CCCCCCCCC(O)=O)CCCC(C)C
Compound: Saussurea lactone
SMILES: O1C2C(CCC(C2C(C)=C)(C)C=C)C(C1=O)C
Compound: 9-Pentadecene-12,14-diyne-1,11-diol
SMILES: OCCCCCCCC/C=C/C(O)C#CC#C
Compound: xi-2-Hydroxy-1,3,5-bisabolatrien-9-one
SMILES: O=C(CC(C1=CC(O)=C(C=C1)C)C)CC(C)C
Compound: 7,9-Illudadiene-3,14-diol
SMILES: OC1(C2(CC2)C(=CC=3C1CC(C3)(C)C)CO)C
Compound: 3,7-Bisaboladiene-2,8-dione
SMILES: O=C1CC(CC=C1C)/C(=C\C(=O)CC(C)C)/C
Compound: Rishitinol
SMILES: O[C@@H]1[C@](C(O)(C)C)(CC=2C(C1)=C(C=CC2C)C)[H]
Compound: beta-Costic acid
SMILES: OC(=O)C([C@H]1C[C@@]2([C@@](CC1)(CCCC2=C)C)[H])=C
Compound: alpha-Rotunol
SMILES: O[C@]12[C@@](CC[C@H](C1)C(C)=C)(CC(=O)C=C2C)C
Compound: 7-Hydroxycostal
SMILES: O[C@@]1(C[C@@]2([C@@](CC1)(CCCC2=C)C)[H])C(C=O)=C
Compound: 1,10-Epoxygermacrone
SMILES: O1C2(C1CCC(=CCC(C(=O)C2)=C(C)C)C)C
Compound: (4alpha,5alpha)-11-Eremophilene-2,9-dione
SMILES: O=C1C2C(C(CC(=O)C2)C)(CC(C1)C(C)=C)C
Compound: beta-Santalic acid
SMILES: OC(=O)/C(=C\CCC1(C2CC(C1=C)CC2)C)/C
Compound: 4,10-Longipinanedione
SMILES: O=C1C(C2C3(C(C2C(C(=O)CC3)(C)C)C1)C)C
Compound: Isocurcumenol
SMILES: O1[C@]23[C@@](CC[C@@H]2C)(C(C[C@]1(O)C(C3)=C(C)C)=C)[H]
Compound: 3-Phenylpropyl hexanoate
SMILES: O(CCCC1=CC=CC=C1)C(=O)CCCCC
Compound: Epiacoronene
SMILES: O=C1[C@H]([C@]2([C@H](C1)C)CC(=O)C(=CC2)C)C(C)C
Compound: Curcumanolide A
SMILES: O1C2(C(CCC2C(C)=C)C)CC(C1=O)=C(C)C
Compound: 4-Methylphenyl octanoate
SMILES: O(C(=O)CCCCCCC)C1=CC=C(C=C1)C
Compound: p-Hydroxynonanophenone
SMILES: O=C(CCCCCCCC)C1=CC=C(O)C=C1
Compound: 2-Methyl-4-phenyl-2-butyl 2-methylpropanoate
SMILES: O(C(CCC1=CC=CC=C1)(C)C)C(=O)C(C)C
Compound: Cyclodehydroisolubimin
SMILES: O1[C@]2([C@@]3([C@@](C1)(CC(=O)C2)[H])C[C@@H](CC3)C(C)=C)C
Compound: 2-hydroxy-6-oxonona-2,4-dienedioate
SMILES: [H]C(=CC([H])=C(O)C([O-])=O)C(=O)CCC([O-])=O
Compound: 12-Hydroxy-chiloscyphone
SMILES: O=C([C@@H]1[C@@]2([C@H](CCC=C2CC1)C)C)C(CO)=C
Compound: Onitin
SMILES: O=C1C(CC2=C1C(=C(C(=C2O)C)CCO)C)(C)C
Compound: Alcyopterosins O
SMILES: OCC=1C=2CC(CC2C=C(C1CCO)C)(C)C
Compound: Macrophyllic acid A
SMILES: OC(=O)\C=C\[C@H]1CC=2[C@@](CC1)(CCCC2C)C
Compound: 9E,11E-Hexadecadienal
SMILES: O=CCCCCCCC/C=C/C=C/CCCC
Compound: 4E,6Z,10Z-Hexadecatrien-1-ol
SMILES: OCCC/C=C/C=C\CC/C=C\CCCCC
Compound: 11-Hexadecynal
SMILES: O=CCCCCCCCCCC#CCCCC
Compound: 7Z,11E-Hexadecadienal
SMILES: O=CCCCCC/C=C\CC\C=C\CCCC
Compound: 9Z,11E-Hexadecadienal
SMILES: O=CCCCCCCC/C=C\C=C\CCCC
Compound: 10Z,12Z-Hexadecadienal
SMILES: O=CCCCCCCCC\C=C/C=C\CCC
Compound: 11Z,13Z-Hexadecadienal
SMILES: O=CCCCCCCCCC/C=C\C=C/CC
Compound: 7Z,11Z-Hexadecadienal
SMILES: O=CCCCCC/C=C\CC/C=C\CCCC
Compound: 9Z,11Z-Hexadecadienal
SMILES: O=CCCCCCCC/C=C\C=C/CCCC
Compound: 11Z,13E-Hexadecadienal
SMILES: O=CCCCCCCCCC/C=C\C=C\CC
Compound: 8E,11Z-Hexadecadienal
SMILES: O=CCCCCCC/C=C/C/C=C\CCCC
Compound: 9E,11Z-Hexadecadienal
SMILES: O=CCCCCCCC/C=C/C=C\CCCC
Compound: 11E,13Z-Hexadecadienal
SMILES: O=CCCCCCCCCC/C=C/C=C\CC
Compound: 4E,6Z-Hexadecadienal
SMILES: O=CCC\C=C\C=C/CCCCCCCCC
Compound: 6E,11Z-Hexadecadienal
SMILES: O=CCCCC/C=C/CCC/C=C\CCCC
Compound: 6,11-hexadecadienal
SMILES: O=CCCCC/C=C/CCC/C=C/CCCC
Compound: 11,13-hexadecadienal
SMILES: O=CCCCCCCCCC/C=C/C=C/CC
Compound: Columbinic acid
SMILES: OC(=O)CCC/C=C/CC/C=C\C/C=C\CCCCC
Compound: 9E-Octadecen-12-ynoic acid
SMILES: OC(=O)CCCCCCC/C=C/CC#CCCCCC
Compound: formyl 14-methyl-8Z-hexadecenoate
SMILES: O(C(=O)CCCCCC/C=C\CCCCC(CC)C)C
Compound: ethyl 7Z-hexadecenoate
SMILES: O(C(=O)CCCCC/C=C\CCCCCCCC)CC
Compound: formyl 14-methyl-8E-hexadecenoate
SMILES: O(C(=O)CCCCCC\C=C\CCCCC(CC)C)C
Compound: 7Z-Hexadecenyl acetate
SMILES: O(CCCCCC/C=C\CCCCCCCC)C(=O)C
Compound: 9Z-Hexadecenyl acetate
SMILES: O(CCCCCCCC/C=C\CCCCCC)C(=O)C
Compound: 12Z-Hexadecenyl acetate
SMILES: O(CCCCCCCCCCC/C=C\CCC)C(=O)C
Compound: 3Z-Hexadecenyl acetate
SMILES: O(CC/C=C\CCCCCCCCCCCC)C(=O)C
Compound: 5Z-Hexadecenyl acetate
SMILES: O(CCCC/C=C\CCCCCCCCCC)C(=O)C
Compound: 10Z-Hexadecenyl acetate
SMILES: O(CCCCCCCCC/C=C\CCCCC)C(=O)C
Compound: 11Z-Hexadecenyl acetate
SMILES: O(CCCCCCCCCC/C=C\CCCC)C(=O)C
Compound: 7-Hexadecenyl acetate
SMILES: O(CCCCCC\C=C\CCCCCCCC)C(=O)C
Compound: 6E-Hexadecenyl acetate
SMILES: O(CCCCC\C=C\CCCCCCCCC)C(=O)C
Compound: 8E-Hexadecenyl acetate
SMILES: O(CCCCCCC/C=C/CCCCCCC)C(=O)C
Compound: 5E-Hexadecenyl acetate
SMILES: O(CCCC\C=C\CCCCCCCCCC)C(=O)C
Compound: 18:1(14Z)
SMILES: OC(=O)CCCCCCCCCCCC/C=C\CCC
Compound: 17:1(4)(15Me)
SMILES: OC(=O)CC/C=C\CCCCCCCCCC(CC)C
Compound: 5E-octadecylenic acid
SMILES: OC(=O)CCC\C=C\CCCCCCCCCCCC
Compound: 4-octadecylenic acid
SMILES: OC(=O)CC\C=C\CCCCCCCCCCCCC
Compound: 3-octadecylenic acid
SMILES: OC(=O)C\C=C\CCCCCCCCCCCCCC
Compound: trans-8-elaidic acid
SMILES: OC(=O)CCCCCC\C=C\CCCCCCCCC
Compound: cis-8-oleic acid
SMILES: OC(=O)CCCCCC/C=C\CCCCCCCCC
Compound: cis-10-oleic acid
SMILES: OC(=O)CCCCCCCC/C=C\CCCCCCC
Compound: 7E-octadecenoic acid
SMILES: OC(=O)CCCCC\C=C\CCCCCCCCCC
Compound: 16E-octadecenoic acid
SMILES: OC(=O)CCCCCCCCCCCCCC/C=C/C
Compound: trans-12-elaidic acid
SMILES: OC(=O)CCCCCCCCCC/C=C/CCCCC
Compound: cis-12-oleic acid
SMILES: OC(=O)CCCCCCCCCC/C=C\CCCCC
Compound: 16Z-octadecenoic acid
SMILES: OC(=O)CCCCCCCCCCCCCC/C=C\C
Compound: 15Z-octadecenoic acid
SMILES: OC(=O)CCCCCCCCCCCCC/C=C\CC
Compound: 5Z-octadecenoic acid
SMILES: OC(=O)CCC/C=C\CCCCCCCCCCCC
Compound: 4Z-octadecenoic acid
SMILES: OC(=O)CC/C=C\CCCCCCCCCCCCC
Compound: 3Z-octadecenoic acid
SMILES: OC(=O)C/C=C\CCCCCCCCCCCCCC
Compound: 17:1(12)(7Me)
SMILES: OC(=O)CCCCCC(CCCC/C=C\CCCC)C
Compound: 17:1(6)(9Me)
SMILES: OC(=O)CCCC/C=C\CC(CCCCCCCC)C
Compound: 2,6-dimethyl-hexadecanoic acid
SMILES: OC(=O)C(CCCC(CCCCCCCCCC)C)C
Compound: 2,14-dimethyl-hexadecanoic acid
SMILES: OC(=O)C(CCCCCCCCCCCC(CC)C)C
Compound: 4,8-dimethyl-hexadecanoic acid
SMILES: OC(=O)CCC(CCCC(CCCCCCCC)C)C
Compound: 6,14-dimethyl-hexadecanoic acid
SMILES: OC(=O)CCCCC(CCCCCCCC(CC)C)C
Compound: lambda isostearic acid
SMILES: OC(=O)C(CCCCCCCCCCCCCCC)C
Compound: neostearic acid
SMILES: OC(=O)CCCCCCCCCCCCCC(C)(C)C
Compound: Tetradecyl isobutyrate
SMILES: O(CCCCCCCCCCCCCC)C(=O)C(C)C
Compound: 7-Methyloctyl 7-methyloctanoate
SMILES: O(CCCCCCC(C)C)C(=O)CCCCCC(C)C
Compound: 2,6-Dimethyl-5-heptenyl nonanoate
SMILES: O(CC(CCCC(C)C)C)C(=O)CCCCCCCC
Compound: Methyl 14-methyl-8-hexadecenoate
SMILES: O(C(=O)CCCCCCCCCCCCC(CC)C)C
Compound: dodecyl hexanoate
SMILES: O(CCCCCCCCCCCC)C(=O)CCCCC
Compound: octyl decanoate
SMILES: O(CCCCCCCC)C(=O)CCCCCCCCC
Compound: decyl octanoate
SMILES: O(CCCCCCCCCC)C(=O)CCCCCCC
Compound: tetradecyl butyrate
SMILES: O(CCCCCCCCCCCCCC)C(=O)CCC
Compound: 15-methyl-heptadecanoic acid
SMILES: OC(=O)CCCCCCCCCCCCCC(CC)C
Compound: 11,15-dimethyl-hexadecanoic acid
SMILES: OC(=O)CCCCCCCCCC(CCCC(C)C)C
Compound: 14-Methylheptadecanoic acid
SMILES: OC(=O)CCCCCCCCCCCCC(CCC)C
Compound: 3-Hydroxy-4-(4-hydroxyphenyl)-1H,3H-naphtho[1,8-cd]pyran-1-one
SMILES: O1C(O)C=2C3=C(C=CC2C4=CC=C(O)C=C4)C=CC=C3C1=O
Compound: 9-Methoxy-7-phenyl-5H-furo[3,2-g][1]benzopyran-5-one
SMILES: O1C2=C(C=C3C(OC=C3)=C2OC)C(=O)C=C1C4=CC=CC=C4
Compound: Kanjone
SMILES: O1C2=C3C(OC=C3)=C(OC)C=C2C(=O)C=C1C4=CC=CC=C4
Compound: Glabone
SMILES: O1C2=C(C=C3C(OC=C3)=C2)C(=O)C=C1C4=CC=C(OC)C=C4
Compound: 2-(4-Methoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one
SMILES: O1C=2C3=C(OC=C3)C=CC2C(=O)C=C1C4=CC=C(OC)C=C4
Compound: Cauliflorin A
SMILES: O1C=2C3=C(OC=C3)C=CC2C(=O)C=C1C4=CC(OC)=CC=C4
Compound: Pongone
SMILES: O1C2=C(C=C3C(OC=C3)=C2)C(=O)C=C1C4=CC(OC)=CC=C4
Compound: Pinnatin
SMILES: O1C2=C(C(OC)=C3C(OC=C3)=C2)C(=O)C=C1C4=CC=CC=C4
Compound: Ponganone XI
SMILES: O1C2=C(C=C3C(OC=C3)=C2)C(=O)C(OC)=C1C4=CC=CC=C4
Compound: 4-Methoxyfurano[2'',3'':6,7]aurone
SMILES: O1C=2C(=C(OC)C=C3OC=CC23)C(=O)C1=CC4=CC=CC=C4
Compound: Derriobtusone A
SMILES: O1C2=C(C(OC)=C1C(=O)C3=CC=CC=C3)C=CC=4OC=CC24
Compound: 2,6-Dimethyl-3-[(2-methyl-3-furanyl)thio]-4-heptanone
SMILES: S(C(C(C)C)C(=O)CC(C)C)C1=C(OC=C1)C
Compound: (11Z)-8,18-methano-retinal
SMILES: O=C/C=C(/C=C\C=C(\C1=CC=2C(CCCC2CC1)(C)C)/C)\C
Compound: (E)-11-Hexadecenoic acid
SMILES: OC(=O)CCCCCCCCC/C=C/CCCC
Compound: (4E,8Z,d18:2) sphingosine
SMILES: O[C@@H]([C@@H](N)CO)/C=C/CC/C=C\CCCCCCCCC
Compound: 2S-amino-octadeca-4E,6E-diene-1,3R-diol
SMILES: O[C@H]([C@@H](N)CO)\C=C\C=C\CCCCCCCCCCC
Compound: Biondinin C
SMILES: O([C@H]1[C@@]2(C([C@](C1)(CC2)[H])(C)C)C)C(=O)/C=C/C3=CC=C(O)C=C3
Compound: Na-L-Glutamyl-L-aspartic acid
SMILES: O=C(NC(CC(O)=O)C(O)=O)C(N)CCC(O)=O
Compound: Ng-L-Glutamyl-L-aspartic acid
SMILES: O=C(NC(CC(O)=O)C(O)=O)CCC(N)C(O)=O
Compound: 11-Deoxytetrodotoxin
SMILES: O1[C@@]2([C@]3([C@@]4(NC(=N[C@H]3O)N)C(O)[C@](O[C@]1(O)[C@H]4O)([C@]2(O)C)[H])[H])[H]
Compound: Neoduleen
SMILES: O1C2=C(C=3C1=CC=4OCOC4C3)COC5=C2C=C6C(OC=C6)=C5
Compound: 3,4',7-Trihydroxyflavone
SMILES: O1C(C2=CC=C(O)C=C2)=C(O)C(=O)C3=C1C=C(O)C=C3
Compound: 5,8,2'-Trihydroxyflavone
SMILES: O1C=2C(C(=O)C=C1C=3C(O)=CC=CC3)=C(O)C=CC2O
Compound: 5,2',5'-Trihydroxyflavone
SMILES: O1C(C2=C(O)C=CC(O)=C2)=CC(=O)C=3C1=CC=CC3O
Compound: 7,3',4'-Trihydroxyflavone
SMILES: O1C(C2=CC(O)=C(O)C=C2)=CC(=O)C3=C1C=C(O)C=C3
Compound: 5,7,2'-Trihydroxyflavone
SMILES: O1C=2C(C(=O)C=C1C=3C(O)=CC=CC3)=C(O)C=C(O)C2
Compound: 5,7,3'-Trihydroxyisoflavone
SMILES: O1C=2C(C(=O)C(C3=CC(O)=CC=C3)=C1)=C(O)C=C(O)C2
Compound: 2',4'-Dihydroxy-5,6-methylenedioxy-2-phenylbenzofuran
SMILES: O1C=2C(C=C1C3=C(O)C=C(O)C=C3)=CC=4OCOC4C2
Compound: 4,6,4'-Trihydroxyaurone
SMILES: O1C=2C(C(=O)C1=CC3=CC=C(O)C=C3)=C(O)C=C(O)C2
Compound: 2',4'-Dihydroxy-3'-(1,1-dimethyl-2-propenyl)chalcone
SMILES: OC=1C(C(C)(C)C=C)=C(O)C=CC1C(=O)/C=C/C2=CC=CC=C2
Compound: Derricidin
SMILES: O(C1=CC(O)=C(C=C1)C(=O)/C=C/C2=CC=CC=C2)CC=C(C)C
Compound: Ovaliflavanone B
SMILES: O1C(CC(=O)C2=C1C(CC=C(C)C)=C(O)C=C2)C3=CC=CC=C3
Compound: Isoderricidin
SMILES: O1C(CC(=O)C2=C1C=C(OCC=C(C)C)C=C2)C3=CC=CC=C3
Compound: Pseudosindorin
SMILES: OC1=C(C(=O)\C=C\C2=CC(O)=CC(O)=C2)C=CC(O)=C1
Compound: Dihydronorwogonin
SMILES: O1C(CC(=O)C2=C1C(O)=C(O)C=C2O)C3=CC=CC=C3
Compound: Dihydrobaicalein
SMILES: O1C(CC(=O)C2=C1C=C(O)C(O)=C2O)C3=CC=CC=C3
Compound: 5,7,3'-Trihydroxyflavanone
SMILES: O1C(CC(=O)C=2C1=CC(O)=CC2O)C3=CC(O)=CC=C3
Compound: 2,4,2',4'-Tetrahydroxychalcone
SMILES: OC1=C(C(=O)\C=C\C2=C(O)C=C(O)C=C2)C=CC(O)=C1
Compound: 4,2',3',4'-Tetrahydroxychalcone
SMILES: OC1=C(C=CC(O)=C1O)C(=O)/C=C/C2=CC=C(O)C=C2
Compound: 11-hydroxy palmitic acid
SMILES: OC(CCCCCCCCCC(O)=O)CCCCC
Compound: 4-hydroxy palmitic acid
SMILES: OC(CCCCCCCCCCCC)CCC(O)=O
Compound: 5-hydroxy-hexadecanoic acid
SMILES: OC(CCCCCCCCCCC)CCCC(O)=O
Compound: 5S-hydroxy-hexadecanoic acid
SMILES: O[C@@H](CCCCCCCCCCC)CCCC(O)=O
Compound: 5R-hydroxy-hexadecanoic acid
SMILES: O[C@H](CCCCCCCCCCC)CCCC(O)=O
Compound: Dibenz[c,h]acridine
SMILES: N1=C2C(=CC3=C1C=4C(C=C3)=CC=CC4)C=CC=5C2=CC=CC5
Compound: Murrayacine
SMILES: O1C(C=CC=2C=3NC=4C(C3C=C(C12)C=O)=CC=CC4)(C)C
Compound: Methionyl-Gamma-glutamate
SMILES: S(CCC(N)C(=O)NC(=O)CCC(N)C(O)=O)C
Compound: 8,9-Dihydroxy-1-methylcoumestan
SMILES: O1C2=C(C=3C1=CC(O)=C(O)C3)C(OC=4C2=C(C=CC4)C)=O
Compound: 3-Hydroxy-8,9-methylenedioxypterocarp-6a-ene
SMILES: O1C2=C(C=3C1=CC=4OCOC4C3)COC5=C2C=CC(O)=C5
Compound: Corylinal
SMILES: O1C2=C(C(=O)C(C3=CC(=C(O)C=C3)C=O)=C1)C=CC(O)=C2
Compound: 2-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxy-6-methoxyacetophenone
SMILES: O(C=1C(=C(C\C=C(\CCC=C(C)C)/C)C=C(O)C1)C(=O)C)C
Compound: Falcarindiol 3-acetate
SMILES: O[C@@H](/C=C\CCCCCCC)C#CC#C[C@H](OC(=O)C)C=C
Compound: (2Z,8S,9Z)-2,9-Heptadecadiene-8-hydroxy-4,6-diyne-1-yl acetate
SMILES: OC(\C=C\CCCCCCC)C#CC#C/C=C\COC(=O)C
Compound: 2-Hexyl-5-[2-(4-hydroxy-3-methoxyphenyl)ethyl]furan
SMILES: O1C(CCCCCC)=CC=C1CCC2=CC(OC)=C(O)C=C2
Compound: Yucalexin B'11
SMILES: OC1C2(C3C4(CCC2C(C1=O)(C)C)CC(C(=O)C3)(C=C4)C)C
Compound: Small bacteriocin
SMILES: O1CCC(NC(=O)CC(O)CCC/C=C/CCCCCC)C1=O
Compound: Mesquitol
SMILES: O1[C@@H]([C@@H](O)CC2=C1C(O)=C(O)C=C2)C3=CC(O)=C(O)C=C3
Compound: ent-Robinetinidol
SMILES: O1[C@H]([C@H](O)CC2=C1C=C(O)C=C2)C3=CC(O)=C(O)C(O)=C3
Compound: (2R,3R)-3,5,7,3',5'-Pentahydroxyflavan
SMILES: O1[C@@H]([C@H](O)CC=2C1=CC(O)=CC2O)C3=CC(O)=CC(O)=C3
Compound: Epioritin-4alpha-ol
SMILES: O1[C@@H]([C@H](O)[C@H](O)C2=C1C(O)=C(O)C=C2)C3=CC=C(O)C=C3
Compound: ent-Epifisetinidol-4beta-ol
SMILES: O1[C@H]([C@@H](O)[C@@H](O)C2=C1C=C(O)C=C2)C3=CC(O)=C(O)C=C3
Compound: ent-Fisetinidol-4beta-ol
SMILES: O1[C@H]([C@H](O)[C@@H](O)C2=C1C=C(O)C=C2)C3=CC(O)=C(O)C=C3
Compound: Epifisetinidol-4alpha-ol
SMILES: O1[C@@H]([C@H](O)[C@H](O)C2=C1C=C(O)C=C2)C3=CC(O)=C(O)C=C3
Compound: Fisetinidol-4alpha-ol
SMILES: O1[C@@H]([C@@H](O)[C@H](O)C2=C1C=C(O)C=C2)C3=CC(O)=C(O)C=C3
Compound: Epioritin-4beta-ol
SMILES: O1[C@@H]([C@H](O)[C@@H](O)C2=C1C(O)=C(O)C=C2)C3=CC=C(O)C=C3
Compound: Nubigenol
SMILES: OC(CC1=CC=C(O)C=C1)C(=O)C2=C(O)C=C(O)C=C2O
Compound: 3,4,2',4',alpha-Pentahydroxydihydrochalcone
SMILES: O[C@H](CC1=CC(O)=C(O)C=C1)C(=O)C2=C(O)C=C(O)C=C2
Compound: (S)-10,16-Dihydroxyhexadecanoic acid
SMILES: O[C@@H](CCCCCCCCC(O)=O)CCCCCCO
Compound: Eicosanal
SMILES: O=CCCCCCCCCCCCCCCCCCCC
Compound: 5-Hydroxy-7-docosanone
SMILES: OC(CC(=O)CCCCCCCCCCCCCCC)CCCC
Compound: 4-Hydroxy-6-docosanone
SMILES: OC(CC(=O)CCCCCCCCCCCCCCCC)CCC
Compound: 6-Hydroxy-8-docosanone
SMILES: OC(CCCCC)CC(=O)CCCCCCCCCCCCCC
Compound: 8-Hydroxy-6-docosanone
SMILES: OC(CCCCCCCCCCCCCC)CC(=O)CCCCC
Compound: 16-Methylheptadecyl isobutyrate
SMILES: O(CCCCCCCCCCCCCCCC(C)C)C(=O)C(C)C
Compound: Octadecyl isobutyrate
SMILES: O(CCCCCCCCCCCCCCCCCC)C(=O)C(C)C
Compound: 6,10,13-Trimethyltetradecyl 3-methylbutanoate
SMILES: O(CCCCCC(CCCC(CCC(C)C)C)C)C(=O)CC(C)C
Compound: guanosine 5'-[beta,gamma-methylene]triphosphate
SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O
Compound: hexyl hexadecanoate
SMILES: O(C(=O)CCCCCCCCCCCCCCC)CCCCCC
Compound: Eicosyl acetate
SMILES: O(CCCCCCCCCCCCCCCCCCCC)C(=O)C
Compound: hexadecyl hexanoate
SMILES: O(CCCCCCCCCCCCCCCC)C(=O)CCCCC
Compound: dodecyl decanoate
SMILES: O(CCCCCCCCCCCC)C(=O)CCCCCCCCC
Compound: tetradecyl octanoate
SMILES: O(CCCCCCCCCCCCCC)C(=O)CCCCCCC
Compound: octadecyl butyrate
SMILES: O(CCCCCCCCCCCCCCCCCC)C(=O)CCC
Compound: 3-methyl-heneicosanoic acid
SMILES: OC(=O)CC(CCCCCCCCCCCCCCCCCC)C
Compound: 19-methyl-heneicosanoic acid
SMILES: OC(=O)CCCCCCCCCCCCCCCCCC(CC)C
Compound: 7,4'-Di-O-methyldaidzein
SMILES: O1C2=C(C(=O)C(C3=CC=C(OC)C=C3)=C1)C=CC(OC)=C2
Compound: 14,14,14-Trifluoro-11Z-tetradecenyl acetate
SMILES: FC(F)(F)C/C=C\CCCCCCCCCCOC(=O)C
Compound: Flemichapparin C
SMILES: O1C2=C(C=3C1=CC=4OCOC4C3)C(OC5=C2C=CC(OC)=C5)=O
Compound: Maximaisoflavone A
SMILES: O1C2=C(C(=O)C(C3=CC=4OCOC4C=C3)=C1)C=CC=5OCOC25
Compound: Dehydrodolineone
SMILES: O1C2=C(C=3C(OC2)=CC=4OCOC4C3)C(=O)C5=C1C=C6OC=CC6=C5
Compound: 6-Methoxyeriodictyol
SMILES: O1C(CC(=O)C2=C1C=C(O)C(OC)=C2O)C3=CC(O)=C(O)C=C3
Compound: Chalepin acetate
SMILES: O1C(C(OC(=O)C)(C)C)CC2=C1C=C3OC(=O)C(C(C)(C)C=C)=CC3=C2
Compound: alpha,alpha-dimethylallylcyclolobin
SMILES: O1CC(CC2=C1C=C(O)C=C2)C3=CC(C(C)(C)C=C)=C(O)C(O)=C3OC
Compound: 2',4',6'-Trihydroxy-3'-methoxy-5'-prenyldihydrochalcone
SMILES: OC1=C(CC=C(C)C)C(O)=C(OC)C(O)=C1C(=O)CCC2=CC=CC=C2
Compound: (+)-Erythraline
SMILES: O([C@@H]1C[C@@]23N(CCC=4C2=CC=5OCOC5C4)CC=C3C=C1)C
Compound: (+/-)-Aegeline
SMILES: OC(CNC(=O)/C=C/C1=CC=CC=C1)C2=CC=C(OC)C=C2
Compound: 7,8-Dimethoxy-3',4'-methylenedioxyflavone
SMILES: O1C(C2=CC=3OCOC3C=C2)=CC(=O)C4=C1C(OC)=C(OC)C=C4
Compound: milletenin C
SMILES: COC1=C(OC)C=C2C(=O)C=C(OC2=C1)C1=CC2=C(OCO2)C=C1
Compound: Millettocalyxin A
SMILES: O1C(C2=C(OC)C=3OCOC3C=C2)=CC(=O)C4=C1C=C(OC)C=C4
Compound: 3,5-Dimethoxy-6,7-methylenedioxyflavone
SMILES: O1C=2C(=C(OC)C=3OCOC3C2)C(=O)C(OC)=C1C4=CC=CC=C4
Compound: 5,7-Dimethoxy-3',4'-methylenedioxy-4-phenylcoumarin
SMILES: O1C2=C(C(C3=CC=4OCOC4C=C3)=CC1=O)C(OC)=CC(OC)=C2
Compound: 3',4'-Dimethoxy-6,7-methylenedioxyisoflavone
SMILES: O1C=2C(C(=O)C(C3=CC(OC)=C(OC)C=C3)=C1)=CC=4OCOC4C2
Compound: Fujikinetin methyl ether
SMILES: O1C=2C(C(=O)C(C3=CC=4OCOC4C=C3)=C1)=CC(OC)=C(OC)C2
Compound: Maximaisoflavone D
SMILES: O1C2=C(C(=O)C(C3=CC(OC)=C(OC)C=C3)=C1)C=CC=4OCOC24
Compound: 7,8-Dimethoxy-3',4'-methylenedioxyisoflavone
SMILES: O1C2=C(C(=O)C(C3=CC=4OCOC4C=C3)=C1)C=CC(OC)=C2OC
Compound: Tlatlancuayin
SMILES: O1C=2C(=C(OC)C=3OCOC3C2)C(=O)C(C=4C(OC)=CC=CC4)=C1
Compound: Irisolone methyl ether
SMILES: O1C=2C(=C(OC)C=3OCOC3C2)C(=O)C(C4=CC=C(OC)C=C4)=C1
Compound: 5,7-Dimethoxy-3',4'-methylenedioxyflavone
SMILES: O1C(C2=CC=3OCOC3C=C2)=CC(=O)C4=C1C=C(OC)C=C4OC
Compound: Neobanol
SMILES: O1C2C(O)(C=3C1=CC=4OCOC4C3)COC5=C2C=C6C(OC=C6)=C5
Compound: Sophoracoumestan B
SMILES: O1C2=C(C=3C1=CC=4OCOC4C3)C(OC5=C2C=CC(O)=C5OC)=O
Compound: 2-Hydroxyflemichapparin C
SMILES: O1C2=C(C=3C1=CC=4OCOC4C3)C(OC=5C2=CC(O)=C(OC)C5)=O
Compound: Tephrosol
SMILES: O1C2=C(C=3C1=CC=4OCOC4C3)C(OC=5C2=CC(OC)=C(O)C5)=O
Compound: 7-Hydroxy-R-acenocoumarol
SMILES: O1C(=O)C([C@@H](CC(=O)C)C2=CC=C([N+]([O-])=O)C=C2)=C(O)C3=C1C=C(O)C=C3
Compound: 8-Hydroxy-R-acenocoumarol
SMILES: O1C(=O)C([C@@H](CC(=O)C)C2=CC=C([N+]([O-])=O)C=C2)=C(O)C3=C1C(O)=CC=C3
Compound: 3a,16-Dihydroxyandrostenone
SMILES: OC1C[C@]2([C@]3([C@@]([C@@]4(C(=CC3)C[C@H](O)CC4)C)(CC[C@@]2(C1=O)C)[H])[H])[H]
Compound: 10-Acetoxy-8-heptadecene-4,6-diyn-3-ol
SMILES: O(C(CCCCCCC)/C=C/C#CC#CC(O)CC)C(=O)C
Compound: 7a-Hydroxytestosterone
SMILES: O[C@@H]1[C@@]2(C(C3C([C@@]4(C(CC3)=C(O)C(=O)CC4)C)CC2)CC1)C
Compound: 3beta,6alpha-dihydroxy-5alpha-androst-9(11)-en-17-one
SMILES: O[C@@H]1[C@@]2([C@@](C=3[C@]([C@]4([C@](CC3)(C(=O)CC4)C)[H])(C1)[H])(CC[C@H](O)C2)C)[H]
Compound: Rhodolaureol
SMILES: Br[C@@H]1C([C@@]23C[C@H](Cl)[C@@](CC2)(C=C3C[C@@H]1O)C)(C)C
Compound: Nidifidienol
SMILES: BrC1CC2(C(C=CCC2=C)(C)C)C(O)CC1(Cl)C
Compound: Elatol
SMILES: Br[C@@H]1C([C@@]2(CCC(=C(Cl)C2)C)C(C[C@@H]1O)=C)(C)C
Compound: Myricetin 5-methyl ether
SMILES: O1C2=C(C(=O)C(O)=C1C3=CC(O)=C(O)C(O)=C3)C(OC)=CC(O)=C2
Compound: Mearnsetin
SMILES: O1C(C2=CC(O)=C(OC)C(O)=C2)=C(O)C(=O)C=3C1=CC(O)=CC3O
Compound: Quercetagetin 4'-methyl ether
SMILES: O1C2=C(C(=O)C(O)=C1C3=CC(O)=C(OC)C=C3)C(O)=C(O)C(O)=C2
Compound: Quercetagetin 7-methyl ether
SMILES: O1C=2C(C(=O)C(O)=C1C3=CC(O)=C(O)C=C3)=C(O)C(O)=C(OC)C2
Compound: Allopatuletin
SMILES: O1C2=C(C(OC)=C(O)C(O)=C2)C(=O)C(O)=C1C3=CC(O)=C(O)C=C3
Compound: Pinomyricetin
SMILES: O1C2=C(C(O)=C(C(O)=C2)C)C(=O)C(O)=C1C3=CC(O)=C(O)C(O)=C3
Compound: 5,7,8,3',4'-Pentahydroxy-6-methoxyflavone
SMILES: O1C=2C(=C(O)C(OC)=C(O)C2O)C(=O)C=C1C3=CC(O)=C(O)C=C3
Compound: 3',4',5'-Trihydroxywogonin
SMILES: O1C2=C(C(=O)C=C1C3=CC(O)=C(O)C(O)=C3)C(O)=CC(O)=C2OC
Compound: Haplogenin
SMILES: O1C2=C(C(=O)C(O)=C1C3=CC(OC)=C(O)C=C3)C(O)=CC(O)=C2O
Compound: Ranupetin
SMILES: O1C2=C(C(=O)C(O)=C1C3=CC(O)=C(O)C=C3)C(O)=CC(OC)=C2O
Compound: Laurencenone A
SMILES: Br[C@@]1(Cl)C(C[C@@]2(C(CC(=O)C=C2C)(C)C)CC1)C
Compound: Crombenin
SMILES: O1C2(OC=3C(C2=O)=C(O)C=C(O)C3)C(O)C=4C(C1)=CC(O)=C(O)C4
Compound: Ciliatin A
SMILES: O1C(CC2=C1C=C3OC(=CC(=O)C3=C2O)C4=CC=C(O)C=C4)C(C)=C
Compound: Yinyanghuo C
SMILES: O1C(C=CC2=C1C=CC(=C2)C=3OC=4C(C(=O)C3)=C(O)C=C(O)C4)(C)C
Compound: Carpachromene
SMILES: O1C(C=CC2=C1C=C3OC(=CC(=O)C3=C2O)C4=CC=C(O)C=C4)(C)C
Compound: Isopsoralidin
SMILES: O1C(CCC=2C1=CC=3OC(=O)C4=C(OC5=C4C=CC(O)=C5)C3C2)(C)C
Compound: Puerarone
SMILES: O1C(C=CC=2C1=CC(O)=C(C2)C=3C(=O)C4=C(OC3)C=C(O)C=C4)(C)C
Compound: Derrone
SMILES: O1C(C=CC2=C1C=C(O)C3=C2OC=C(C3=O)C4=CC=C(O)C=C4)(C)C
Compound: 4'-Hydroxyclobazam
SMILES: ClC1=CC=2N(C(=O)CC(=O)N(C2C=C1)C)C3=CC=C(O)C=C3
Compound: 11,12-dihydroxy arachidic acid
SMILES: OC(C(O)CCCCCCCC)CCCCCCCCCC(O)=O
Compound: Apuleitrin
SMILES: O1C(C=2C=C(OC)C(OC)=C(O)C2)=C(OC)C(=O)C=3C1=CC(OC)=C(O)C3O
Compound: 3,5,3'-Trihydroxy-6,7,4',5'-tetramethoxyflavone
SMILES: O1C=2C(C(=O)C(O)=C1C=3C=C(OC)C(OC)=C(O)C3)=C(O)C(OC)=C(OC)C2
Compound: 5,7,4'-Trihydroxy-3,6,3',5'-tetramethoxyflavone
SMILES: O1C(C2=CC(OC)=C(O)C(OC)=C2)=C(OC)C(=O)C3=C1C=C(O)C(OC)=C3O
Compound: 5,3',5'-Trihydroxy-3,6,7,4'-tetramethoxyflavone
SMILES: O1C=2C(C(=O)C(OC)=C1C3=CC(O)=C(OC)C(O)=C3)=C(O)C(OC)=C(OC)C2
Compound: Clitoriacetal
SMILES: O1C2C(O)(C=3C(OC2O)=CC(OC)=C(OC)C3)C(=O)C=4C1=CC(OC)=CC4O
Compound: Agecorynin D
SMILES: O1C=2C(=C(O)C(OC)=C(OC)C2OC)C(=O)C=C1C=3C(O)=CC(O)=C(OC)C3
Compound: Scaposin
SMILES: O1C=2C(=C(O)C(OC)=C(O)C2OC)C(=O)C=C1C=3C=C(OC)C(OC)=C(O)C3
Compound: Gardenin E
SMILES: O1C=2C(=C(O)C(OC)=C(OC)C2OC)C(=O)C=C1C3=CC(O)=C(OC)C(O)=C3
Compound: 5,6,5'-Trihydroxy-3,7,2',4'-tetramethoxyflavone
SMILES: O1C(C=2C(OC)=CC(OC)=C(O)C2)=C(OC)C(=O)C=3C1=CC(OC)=C(O)C3O
Compound: 5,7,5'-Trihydroxy-3,6,2',4'-tetramethoxyflavone
SMILES: O1C(C=2C(OC)=CC(OC)=C(O)C2)=C(OC)C(=O)C3=C1C=C(O)C(OC)=C3O
Compound: 5-O-Demethylapulein
SMILES: O1C=2C(C(=O)C(OC)=C1C=3C(O)=CC(OC)=C(O)C3)=C(O)C(OC)=C(OC)C2
Compound: 5,2',4'-Trihydroxy-3,7,8,5'-tetramethoxyflavone
SMILES: O1C2=C(C(=O)C(OC)=C1C=3C(O)=CC(O)=C(OC)C3)C(O)=CC(OC)=C2OC
Compound: Hibiscetin 3,8,3',4'-tetramethyl ether
SMILES: O1C2=C(C(=O)C(OC)=C1C=3C=C(OC)C(OC)=C(O)C3)C(O)=CC(O)=C2OC
Compound: Hibiscetin 3,7,8,4'-tetramethyl ether
SMILES: O1C2=C(C(=O)C(OC)=C1C3=CC(O)=C(OC)C(O)=C3)C(O)=CC(OC)=C2OC
Compound: 5,2',4'-Trihydroxy-3,6,7,8-tetramethoxyflavone
SMILES: O1C=2C(=C(O)C(OC)=C(OC)C2OC)C(=O)C(OC)=C1C3=C(O)C=C(O)C=C3
Compound: 3,5,8-Trihydroxy-6,7,3',4'-tetramethoxyflavone
SMILES: O1C=2C(=C(O)C(OC)=C(OC)C2O)C(=O)C(O)=C1C3=CC(OC)=C(OC)C=C3
Compound: 5,3',4'-Trihydroxy-3,6,7,8-tetramethoxyflavone
SMILES: O1C=2C(=C(O)C(OC)=C(OC)C2OC)C(=O)C(OC)=C1C3=CC(O)=C(O)C=C3
Compound: 5,6,3'-Trihydroxy-3,7,8,4'-tetramethoxyflavone
SMILES: O1C=2C(C(=O)C(OC)=C1C3=CC(O)=C(OC)C=C3)=C(O)C(O)=C(OC)C2OC