Datasets:
AdrianM0
/
SMILES-to-IUPAC-BOOTSTRAP-ROUND-3

Dataset card Data Studio Files
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SMILES
stringlengths
2
1.03k
IUPAC
stringlengths
6
1.64k
O=C(O)C(O)(O)CF
3-fluoro-2,2-dihydroxypropanoicacid
C=CSCC=N
2-ethenylsulfanylethanimine
C=NSCF
N-(fluoromethylsulfanyl)methanimine
N=C(N)CC(=O)O
3-amino-3-iminopropanoicacid
CCCSCS
propylsulfanylmethanethiol
CN(O)c1ccc(C(N)=NO)cc1Cl
3-chloro-N'-hydroxy-4-[hydroxy(methyl)amino]benzenecarboximidamide
FOC(F)F
difluoromethylhypofluorite
NC(F)S
amino(fluoro)methanethiol
C=CSN=O
1-nitrososulfanylethene
N=CCSS
2-(disulfanyl)ethanimine
CC(C)CC1C=CCC=C1SF
[6-(2-methylpropyl)cyclohexa-1,4-dien-1-yl]thiohypofluorite
Cc1ccc(C(N)=NO)cc1Cl
3-chloro-N'-hydroxy-4-methylbenzenecarboximidamide
N#CNCI
(iodomethylamino)formonitrile
CCCCNCCl
N-(chloromethyl)butan-1-amine
FNCCCl
2-chloro-N-fluoroethanamine
N#CSC(F)S
[fluoro(sulfanyl)methyl]thiocyanate
Nc1cc(C#CO)cnc1CI
2-[5-amino-6-(iodomethyl)pyridin-3-yl]ethynol
CCC(F)SCO
1-fluoropropylsulfanylmethanol
CCCC(O)Cl
1-chlorobutan-1-ol
NC(O)SO
amino(hydroxysulfanyl)methanol
CCCC(Cl)CI
2-chloro-1-iodopentane
N=CCC1CCC1
2-cyclobutylethanimine
CNNCC#N
2-(2-methylhydrazinyl)acetonitrile
CC(C)(CO)SO
2-hydroxysulfanyl-2-methylpropan-1-ol
C=CCNCO
prop-2-enylaminomethanol
COC(=O)CI
methyl2-iodoacetate
N=CC1CC1CNO
N-[(2-methanimidoylcyclopropyl)methyl]hydroxylamine
OC1CCC1
cyclobutanol
CCCC#N
butanenitrile
FOC=CCI
3-iodoprop-1-enylhypofluorite
CC#CI
1-iodoprop-1-yne
SSCBr
bromo(disulfanyl)methane
CC(=N)C(C)NCC#N
2-(3-iminobutan-2-ylamino)acetonitrile
NCNC(=O)CCl
N-(aminomethyl)-2-chloroacetamide
O=CCSI
2-oxoethylthiohypoiodite
OCSSCBr
bromomethyldisulfanylmethanol
CCCCC(F)(F)OC
1,1-difluoro-1-methoxypentane
CCC=CNO
N-hydroxybut-1-en-1-amine
O=[N+]([O-])C=S
nitromethanethione
CC(O)NCO
1-(hydroxymethylamino)ethanol
OCOCCSS
2-(disulfanyl)ethoxymethanol
CCC(Cl)I
1-chloro-1-iodopropane
CCON=O
ethylnitrite
C#CCOCCC
1-prop-2-ynoxypropane
N=NOC#CCl
2-chloroethynoxydiazene
COC(C)(F)CCN
3-fluoro-3-methoxybutan-1-amine
CCC(F)CF
1,2-difluorobutane
CC=C(N)O
1-aminoprop-1-en-1-ol
NSC#CS
S-(2-sulfanylethynyl)thiohydroxylamine
CC(I)C=N
2-iodopropane-1-imine
CC=CNF
N-fluoroprop-1-en-1-amine
CC(CI)NCCN1CCCCCC1
N-[2-(azepan-1-yl)ethyl]-1-iodopropan-2-amine
C#CNC(=O)C#C
N-ethynylprop-2-ynamide
N=CCCSF
3-iminopropylthiohypofluorite
C=C(C)CBr
3-bromo-2-methylprop-1-ene
N=CSCl
methanimidoylthiohypochlorite
N=CNCCO
2-(methanimidoylamino)ethanol
COCCF
1-fluoro-2-methoxyethane
CC(CI)CSCF
1-iodo-3-(fluoromethylsulfanyl)-2-methylpropane
N#CSC#N
cyanothiocyanate
O=NC#COF
2-nitrosoethynylhypofluorite
NNC=CCS
3-hydrazinylprop-2-ene-1-thiol
CSSCC(C)O
1-(methyldisulfanyl)propan-2-ol
S=CCl
chloromethanethione
S=CCBr
2-bromoethanethioaldehyde
CC=C(N)N=N
1-diazenylprop-1-en-1-amine
CCCCOCCN=N
2-butoxyethyldiazene
N#CC(O)Cl
2-chloro-2-hydroxyacetonitrile
CN(C)CO
dimethylaminomethanol
CCSSC#N
ethyldisulfanylformonitrile
CN(N)CNI
1-[amino(methyl)amino]-N-iodomethanamine
C=C(CC(F)Br)C(C)(O)I
5-bromo-5-fluoro-2-iodo-3-methylidenepentan-2-ol
N#CCCN=N
3-diazenylpropanenitrile
COC(=O)C(CCOC#N)C(C)O
methyl2-(2-cyanatoethyl)-3-hydroxybutanoate
CCCSC(C)Cl
1-(1-chloroethylsulfanyl)propane
SCC=CBr
3-bromoprop-2-ene-1-thiol
C#N
formonitrile
OC(I)NI
iodo(iodoamino)methanol
CC=CCSC
4-methylsulfanylbut-2-ene
N=NCN=O
nitrosomethyldiazene
CC(=N)SC#N
ethanimidoylthiocyanate
ONC(O)O
(hydroxyamino)methanediol
CC(I)OO
1-hydroperoxy-1-iodoethane
CSN(C)N=O
N-methyl-N-methylsulfanylnitrousamide
CC(I)CC(C)C=O
4-iodo-2-methylpentanal
N=CC1CC1I
(2-iodocyclopropyl)methanimine
FCCCOF
3-fluoropropylhypofluorite
COOCC=O
2-methylperoxyacetaldehyde
COC1CCCCC1SO
1-hydroxysulfanyl-2-methoxycyclohexane
N=C(N)CCl
2-chloroethanimidamide
CCCCSCO
butylsulfanylmethanol
OCCCOI
3-hydroxypropylhypoiodite
CCC=COC
1-methoxybut-1-ene
CC=CNCl
N-chloroprop-1-en-1-amine
CN(CO)CCOCCNO
N-[2-[2-[hydroxymethyl(methyl)amino]ethoxy]ethyl]hydroxylamine
CSNC#N
methylsulfanylcyanamide
CCC(C)(C)F
2-fluoro-2-methylbutane
C#COBr
ethynylhypobromite
FC=COCl
2-fluoroethenylhypochlorite
CCCCCCSF
hexylthiohypofluorite