Dataset Viewer
Auto-converted to Parquet
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
End of preview. Expand in Data Studio

No dataset card yet

Downloads last month
10