cmpdname
stringlengths 31
31
| mf
stringlengths 2
26
|
|---|---|
CL(i-15:0/i-16:0/a-17:0/i-18:0)
|
C75H146O17P2
|
Cer 17:0;2O/22:4;(3OH)(FA 15:1)
|
C54H97NO5
|
3-Methoxy-4-prop-2-enoxyaniline
|
C10H13NO2
|
N-carbamoyl-4-sulfanylbenzamide
|
C8H8N2O2S
|
1-(5-Vinylindolin-1-yl)ethanone
|
C12H13NO
|
5-Hydroxy-glucuronide rofecoxib
|
C23H22O11S
|
3-(2-Phenylethenyl)benzonitrile
|
C15H11N
|
[Cyanato(phenyl)methyl] cyanate
|
C9H6N2O2
|
2-Ethoxy-4-hydroxybutanoic acid
|
C6H12O4
|
Cer 22:0;2O/16:5;(3OH)(FA 22:4)
|
C60H101NO5
|
7-Ethyl-2-methylundecanoic acid
|
C14H28O2
|
Cer 21:0;2O/20:5;(3OH)(FA 21:4)
|
C62H105NO5
|
3-(3-Bromophenyl)heptan-4-amine
|
C13H20BrN
|
Iron(2+);molybdenum;octasulfide
|
FeMo2S8-14
|
5-Bromo-6-ethoxy-6-oxohexanoate
|
C8H12BrO4-
|
(Dodecyloxy)sulfonic acid amine
|
C12H29NO4S
|
6-Methylsulfanylpiperidin-2-one
|
C6H11NOS
|
N-ethyl-4-morpholin-2-ylaniline
|
C12H18N2O
|
5-Methoxy-2-prop-1-ynylpyridine
|
C9H9NO
|
1,2-Benzoxazepine-8-carboxamide
|
C10H8N2O2
|
Cer 15:0;2O/18:3;(3OH)(FA 21:3)
|
C54H95NO5
|
3,3-Difluoro-2-methylhept-1-ene
|
C8H14F2
|
CL(i-12:0/i-20:0/i-19:0/i-13:0)
|
C73H142O17P2
|
2-Formylphenyl benzenesulfonate
|
C13H10O4S
|
Dimethyl(propyl)azanium;sulfate
|
C5H14NO4S-
|
Ethyl 4-trimethylgermylbenzoate
|
C12H18GeO2
|
1-Fluorobutyl(trimethoxy)silane
|
C7H17FO3Si
|
Bn(2-Cl)-N(AcCl)nTyr(Me)-NHEtPh
|
C26H26Cl2N2O3
|
Cyclopenta[c][1,2,5]azadiborole
|
C5H3B2N
|
(1R,8R)-bicyclo[6.2.0]dec-2-ene
|
C10H16
|
4-Bromo-7-iodo-1-benzothiophene
|
C8H4BrIS
|
Ethyl 2-oxo-10-phenoxydecanoate
|
C18H26O4
|
Cer 19:0;2O/16:2;(3OH)(FA 12:0)
|
C47H89NO5
|
2-Chloro-1,3-dinitrocyclohexane
|
C6H9ClN2O4
|
(m-Ethylaminophenyl)acetic acid
|
C10H13NO2
|
7,7-dimethyl-N-phenyloctanamide
|
C16H25NO
|
1,8-Diphenyloctane-2,4,6-trione
|
C20H20O3
|
N-(2-oxoazetidin-1-yl)benzamide
|
C10H10N2O2
|
Tridecyl 2-ethyl-3-oxobutanoate
|
C19H36O3
|
Chloroacetylcholine-perchlorate
|
C7H15Cl2NO6
|
Boc-DL-Leu-Gly-DL-Leu-DL-Ala-OH
|
C22H40N4O7
|
2-(4-Bromobutoxy)propanoic acid
|
C7H13BrO3
|
3-Bromo-2-methyl-5-nitroaniline
|
C7H7BrN2O2
|
5-(1H-indol-3-yl)pent-4-yn-1-ol
|
C13H13NO
|
2-hydroxybenzaldehyde;1H-indole
|
C15H13NO2
|
3,4-Difluorocyclopent-3-en-1-ol
|
C5H6F2O
|
2-Ethylhexyl diphenyl phosphate
|
C20H27O4P
|
1-pyridin-2-yl-9H-carbazol-2-ol
|
C17H12N2O
|
4-Methylcyclohexa-2,5-dien-1-ol
|
C7H10O
|
Cer 21:0;2O/22:4;(3OH)(FA 19:2)
|
C62H111NO5
|
2-Iodo-androst-4-ene-3,17-dione
|
C19H25IO2
|
3,3,4,4,5,5-Hexamethylhex-1-ene
|
C12H24
|
(2-Methoxypyridin-3-yl) formate
|
C7H7NO3
|
H-DL-Glu-DL-Tyr-Gly-DL-xiIle-OH
|
C22H32N4O8
|
1-Azabicyclo[2.2.1]heptan-7-one
|
C6H9NO
|
10-Dodecen-1-ol, 7,11-dimethyl-
|
C14H28O
|
2-(4-Fluoroanilino)acetaldehyde
|
C8H8FNO
|
Cer 15:0;2O/22:3;(3OH)(FA 16:5)
|
C53H89NO5
|
trans-2-Oxabicyclo[3.3.0]octane
|
C7H12O
|
Novobiocin, monoacetate (ester)
|
C33H38N2O12
|
3-(cis-Styryl)-1,2,4-oxadiazole
|
C10H8N2O
|
2-Fluorophenol;pyrrolidin-2-one
|
C10H12FNO2
|
2,2-Dimethylpropan-1-ol;yttrium
|
C5H11OY3-
|
Tetrazol-1-yl 3-hydroxybenzoate
|
C8H6N4O3
|
6-Hydroxy-9-phenylxanthen-3-one
|
C19H12O3
|
Methyl 8-(chloroamino)octanoate
|
C9H18ClNO2
|
5-Bromo-2-nitro-9H-thioxanthene
|
C13H8BrNO2S
|
2-Bromo-4-nitro-1-propylbenzene
|
C9H10BrNO2
|
Tris(ethenyl)-pent-3-ynylsilane
|
C11H16Si
|
Cyanamide, (diphenylmethylene)-
|
C14H10N2
|
N-phenoxypyridine-2-carboxamide
|
C12H10N2O2
|
2-Dodecoxy-3-fluorobenzoic acid
|
C19H29FO3
|
(4R)-2-methylidene-4-nitrooxane
|
C6H9NO3
|
1-(1,1-Diphenylbutyl)piperazine
|
C20H26N2
|
Disodium;ethane-1,1-disulfonate
|
C2H4Na2O6S2
|
N-chloroaniline;N-methylaniline
|
C13H15ClN2
|
3,6-Dibromonaphthalene-1,7-diol
|
C10H6Br2O2
|
(4-Hexadecylphenyl) dodecanoate
|
C34H60O2
|
3-Chloro-2-ethylsulfanylaniline
|
C8H10ClNS
|
Dipotassium;iminomethanediolate
|
CHK2NO2
|
4-Methoxypentane-1,2,3,5-tetrol
|
C6H14O5
|
2-Hex-1-ynylisoindole-1,3-dione
|
C14H13NO2
|
4-(4-Iodopiperazin-1-yl)aniline
|
C10H14IN3
|
2,3-Di(tricosyl)but-2-enedioate
|
C50H94O4-2
|
Lithium 4-(oxetan-2-yl)benzoate
|
C10H9LiO3
|
N,N-dibutyl-4-chloropentanamide
|
C13H26ClNO
|
6-Pyrimidin-2-ylnaphthalen-2-ol
|
C14H10N2O
|
Amino-(4-propoxyphenyl)methanol
|
C10H15NO2
|
3-Phenylprop-2-yn-1-ol;chloride
|
C9H8ClO-
|
Cer 21:0;2O/18:0;(3OH)(FA 22:4)
|
C61H113NO5
|
2-(9H-acridin-10-yl)acetic acid
|
C15H13NO2
|
3-Aminoquinoline-2-carbonitrile
|
C10H7N3
|
H-DL-xiIle-DL-Glu-DL-Ser-Gly-OH
|
C16H28N4O8
|
2-(1-Piperidinyl)-4-pyrimidinol
|
C9H13N3O
|
3-Heptafluorobutyrylpinan-4-one
|
C14H15F7O2
|
(Diethylamino)(ethylthio)borine
|
C11H20BNS
|
(3S,6R)-3,6-diethoxycyclohexene
|
C10H18O2
|
1-Fluoro-4-hexan-2-yloxybenzene
|
C12H17FO
|
O-Allyl O,O-tert-butylsuccinate
|
C11H18O5
|
H-gGlu-Cys-Gly-OH.Ac-DL-Cys-NH2
|
C15H27N5O8S2
|
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