Dataset Viewer
Auto-converted to Parquet
cmpdname
stringlengths
29
29
mf
stringlengths
2
24
2-Aminoterephthalate;iron(2+)
C8H5FeNO4
5-Chlorocyclododec-4-en-1-one
C12H19ClO
3-Fluoropiperidine;prop-1-yne
C8H14FN
2,2-Dichloroethenyl hexanoate
C8H12Cl2O2
Trifluoro(sulfanyloxy)methane
CHF3OS
5-(Trifluoromethyl)hexadecane
C17H33F3
Butoxy-dihydroxy-phenylsilane
C10H16O3Si
(Dichloromethylidene)iron(1+)
CCl2Fe+
9-Methyl-Z-10-pentadecen-1-ol
C16H32O
H-Gly-DL-Leu-DL-Cys-DL-Met-OH
C16H30N4O5S2
H-Gly-DL-Phe-DL-Gln-DL-Lys-OH
C22H34N6O6
(2-Hydroxyphenyl)arsonic acid
C6H7AsO4
3,3-Difluoro-2-methoxypentane
C6H12F2O
2-Methoxy-2-phenoxybutanamide
C11H15NO3
2-Amino-2,3-dimethylbutanoate
C6H12NO2-
3-Nitrosopiperidine-2,6-dione
C5H6N2O3
CL(10:0/i-12:0/i-12:0/i-15:0)
C58H112O17P2
6-fluoro-4-phenyl-1H-indazole
C13H9FN2
Disenecioyldehydroretronecine
C18H23NO4
2,3-Dimethylhept-3-enoic acid
C9H16O2
1-Pyridin-4-ylpiperazin-4-ium
C9H14N3+
1-Trichlorosilylethyl acetate
C4H7Cl3O2Si
(3-Bromo-4-oxopentyl) formate
C6H9BrO3
2-(4-Pentylphenoxy)ethanamine
C13H21NO
4-Ethenyl-2,3-dimethylaniline
C10H13N
H-DL-Met-Gly-DL-Trp-DL-Arg-OH
C24H36N8O5S
N-allyl-N,N'-dicyclohexylurea
C16H28N2O
Butan-1-ol;3-oxohexanoic acid
C10H20O4
CL(a-13:0/15:0/i-16:0/a-17:0)
C70H136O17P2
3-Heptyl-2-methylideneoxolane
C12H22O
(3,5-Diphenylphenyl)phosphane
C18H15P
2-(But-3-en-1-yl)benzonitrile
C11H11N
2-(3-Methoxybenzoyl)butanoate
C12H13O4-
Ethane;1-iodo-4-propylbenzene
C13H23I
CL(i-14:0/17:0/i-19:0/i-19:0)
C78H152O17P2
N-Butyl-2-phenethylvaleramide
C17H27NO
2,3-Bis(ethenyl)-4-ethylfuran
C10H12O
1-Chloro-4-acetyl-cyclohexene
C8H11ClO
2-(1,2-Dimethoxyethyl)oxirane
C6H12O3
H-DL-Ala-DL-Asn-Gly-DL-Tyr-OH
C18H25N5O7
5-(Piperidin-4-yl)pentan-1-ol
C10H21NO
N-methyl-1-benzofuran-3-imine
C9H9NO
2,2-Dichlorooxolane;ytterbium
C4H6Cl2OYb
(+)-Fluprostenol Lactone Diol
C18H19F3O5
1-Butoxy-4-methoxynaphthalene
C15H18O2
2,6-Dichloro-4-pentylpyridine
C10H13Cl2N
2-Methyloctane-2,4,6-triamine
C9H23N3
Heptan-2-yl 3-phenylbutanoate
C17H26O2
1,2,4,5-Tetrabromocyclohexane
C6H8Br4
2,6-Dimethylheptane-3,4-dione
C9H16O2
TG(a-21:0/i-21:0/i-18:0)[rac]
C63H122O6
1-Isocyano-2-tritiooxypropane
C4H7NO
1-Oxaspiro[4.5]dec-7-en-2-one
C9H12O2
2-Amino-3,4-dichloroquinoline
C9H6Cl2N2
2-Iodoquinolinediyl diacetate
C13H12INO4
Hexafluorocyclotriphosphazene
F6N3P3
CL(i-13:0/i-20:0/23:0/i-24:0)
C89H174O17P2
Hexafluoroisopropyl carbamate
C4H3F6NO2
5-(1h-Pyrazol-4-yl)pyrimidine
C7H6N4
US8853212, DDP-4 Inhibitor 12
C17H17F5N4S
Butoxy(butyl)phosphinous acid
C8H19O2P
1-Dodecylpyrimidine-2,4-dione
C16H28N2O2
1-Phenyl-1-pyridazin-3-ylurea
C11H10N4O
Tert-butyl 2-formylheptanoate
C12H22O3
morpholine;1H-pyrimidin-2-one
C8H13N3O2
(E)-6-butylheptadec-3-en-1-ol
C21H42O
Butyl(silyloxysilyloxy)silane
C4H16O2Si3
1,1'-Biphenyl;ethane;methanol
C15H20O
7-Hexyl-4,8-dimethyltridecane
C21H44
TG(i-13:0/i-21:0/a-15:0)[rac]
C52H100O6
H-DL-Asn-DL-Trp-DL-Cys-Gly-OH
C20H26N6O6S
TG(i-18:0/a-13:0/i-21:0)[rac]
C55H106O6
CL(i-12:0/a-13:0/i-19:0/25:0)
C78H152O17P2
CL(i-12:0/a-15:0/20:0/i-24:0)
C80H156O17P2
H-DL-Ser-DL-His-DL-Arg-Gly-OH
C17H29N9O6
3-(8-phenyloctyl)-L-histidine
C20H29N3O2
CL(11:0/i-14:0/a-17:0/a-21:0)
C72H140O17P2
5-Ethylhepta-1,4-dien-3-imine
C9H15N
Dibromo-(3-nitrophenyl)arsane
C6H4AsBr2NO2
Tricyclo[2.2.0.01,3]hex-4-ene
C6H6
1-(Fluoromethoxy)isoquinoline
C10H8FNO
3,7-Dimethoxy-2,1-benzoxazole
C9H9NO3
4-(4-Methoxyphenoxy)quinoline
C16H13NO2
H-DL-Glu-DL-Val-DL-Phe-Gly-OH
C21H30N4O7
Ac-L-Ala-L-Thr-L-Asn-L-Thr-OH
C17H29N5O9
Benzimidazolone scaffold, 15m
C22H27ClN4O
5-(2-ethylphenyl)-1H-pyrazole
C11H12N2
CL(12:0/i-14:0/i-15:0/i-22:0)
C72H140O17P2
(E)-1-hexadecoxyoctadec-9-ene
C34H68O
ethane;N-ethyl-4-nitroaniline
C10H16N2O2
Ethyl(iodo)-lambda~2~-germane
C2H5GeI
(4E)-undeca-1,4,10-trien-4-ol
C11H18O
7-beta-[H]-Silphiperfol-5-ene
C15H24
US10745388, Example 1, Peak 1
C23H23FN6O3
Bu-His-DPhe-Arg-Trp-Gly-NH(2)
C38H52N12O5
6-Azabicyclo[10.1.0]tridecane
C12H23N
Tert-butyl 2-methylpropanoate
C8H16O2
3-(2H-tetrazol-5-yl)benzamide
C8H7N5O
benzyl (E)-7-oxohept-2-enoate
C14H16O3
2,5-Dimethyl-4-propylpyridine
C10H15N
End of preview. Expand in Data Studio
README.md exists but content is empty.
Downloads last month
37