SMILES
stringlengths
2
724
IUPAC
stringlengths
6
1.34k
N#CNCS
sulfanylmethylcyanamide
CN(Br)C=O
N-bromo-N-methylformamide
FCc1ccc(F)c(F)c1
1,2-difluoro-4-(fluoromethyl)benzene
OOCCI
1-hydroperoxy-2-iodoethane
Cc1ccc(OC(C)C#N)c(SCSS)c1
2-[2-(disulfanylmethylsulfanyl)-4-methylphenoxy]propanenitrile
CCC[C@@H](Cc1ccccc1)C(=O)NS
(2S)-2-benzyl-N-sulfanylpentanamide
COCCCI
1-iodo-3-methoxypropane
CSC=CF
1-fluoro-2-methylsulfanylethene
OSC(CI)NBr
N-bromo-2-iodo-1-hydroxysulfanylethanamine
N#CSCI
iodomethylsulfanylformonitrile
CSN=CSF
methylsulfanyliminomethylthiohypofluorite
CCCC(=O)NCOC
N-(methoxymethyl)butanamide
CCCc1cc(CC(=O)O)c(Br)cc1I
2-(2-bromo-4-iodo-5-propylphenyl)aceticacid
O=C(CCCO)CSS
1-(disulfanyl)-5-hydroxypentan-2-one
FCOCBr
bromo(fluoromethoxy)methane
C#CON(C)F
N-ethynoxy-N-fluoromethanamine
FC(F)(F)OCl
trifluoromethylhypochlorite
C=C(F)SC
1-fluoro-1-methylsulfanylethene
OCCCCI
4-iodobutan-1-ol-
OCCOO
2-hydroperoxyethanol
N#CCSCNC(=O)CNF
N-(cyanomethylsulfanylmethyl)-2-(fluoroamino)acetamide
SSCOI
disulfanylmethylhypoiodite
SCSSc1ccccc1
phenylsulfanylsulfanylmethanethiol
CSOCOC=O
methylsulfanyloxymethylformate
CCOC=O
ethylformate
CN(O)CCO
2-[hydroxy(methyl)amino]ethanol
CONC=O
N-methoxyformamide
CCCN(C)C(=O)OC(C)C
propan-2-ylN-methyl-N-propylcarbamate
C[Si](Cl)(Cl)SS
disulfanyl-dichloro-methylsilane
[2H]CCCl
1-chloro-2-deuterioethane
C=CS(=N)(=O)F
ethenyl-fluoro-imino-oxo-λ6-sulfane
N#CN(F)S
fluoro(sulfanyl)cyanamide
CCNC(=NC)NCCc1ccccc1
1-ethyl-2-methyl-3-(2-phenylethyl)guanidine
CCC(C)OF
butan-2-ylhypofluorite
CCCCC#CN(CCC)N=O
N-hex-1-ynyl-N-propylnitrousamide
CC=CCBr
1-bromobut-2-ene
O=CCCOO
3-hydroperoxypropanal
CCCC(=O)NF
N-fluorobutanamide
CCOC(Cl)COCS
(2-chloro-2-ethoxyethoxy)methanethiol
C=COc1cc(OI)ccc1Br
(4-bromo-3-ethenoxyphenyl)hypoiodite
FC(F)(F)Cl
chloro(trifluoro)methane
CNNCS
2-methylhydrazinylmethanethiol
SCSCCI
2-iodoethylsulfanylmethanethiol
CCc1ccc(S(=O)(=O)NCCOC)cc1
4-ethyl-N-(2-methoxyethyl)benzenesulfonamide
CON=O
methylnitrite
CC(F)OI
1-fluoroethylhypoiodite
N=C(Cc1ccncc1)CN1CCCC1
1-pyridin-4-yl-3-pyrrolidin-1-ylpropan-2-imine
O=CCC(=S)Cl
3-oxopropanethioylchloride
FCSCl
fluoromethylthiohypochlorite
CN(C)SO
N-hydroxysulfanyl-N-methylmethanamine
ClCC=NI
2-chloro-N-iodoethanimine
CCc1ccc(SC)cc1C
1-ethyl-2-methyl-4-methylsulfanylbenzene
SCCN(S)CCl
2-[chloromethyl(sulfanyl)amino]ethanethiol
FC(S)I
fluoro(iodo)methanethiol
N#CNBr
bromoaminoformonitrile
C#CCOC
1-methoxyprop-2-yne
OCCSI
2-hydroxyethylthiohypoiodite
O=CCSI
2-oxoethylthiohypoiodite
N#CCSCO
2-(hydroxymethylsulfanyl)acetonitrile
O=S(CF)CCCCCCF
1-fluoro-6-(fluoromethylsulfinyl)hexane
[2H]CCC=O
3-deuteriopropanal
N#CCCI
3-iodopropanenitrile
CCCCCSC
1-methylsulfanylpentane
N#CC(F)(F)I
2,2-difluoro-2-iodoacetonitrile
ICCc1ccccc1
2-iodoethylbenzene
O=C(O)CCC=CF
5-fluoropent-4-enoicacid
CC(=O)N1CCCC1
1-pyrrolidin-1-ylethanone
CSCCC(F)Br
1-bromo-1-fluoro-3-methylsulfanylpropane
CC(OCl)c1ccccc1
1-phenylethylhypochlorite
N#CCCCCl
4-chlorobutanenitrile
Cc1cc(C)c(F)c(CCCCO)c1
4-(2-fluoro-3,5-dimethylphenyl)butan-1-ol
OCC(Cl)SBr
(1-chloro-2-hydroxyethyl)thiohypobromite
COCC(=O)C#N
3-methoxy-2-oxopropanenitrile
C=C(C#N)C(=O)CF
4-fluoro-2-methylidene-3-oxobutanenitrile
CC1(C(=O)N(CCC=O)C2CCC2)CCCC1
N-cyclobutyl-1-methyl-N-(3-oxopropyl)cyclopentane-1-carboxamide
CC=CC=C(C)N(CF)c1cccc2ccccc12
N-(fluoromethyl)-N-hexa-2,4-dien-2-ylnaphthalen-1-amine
C=CCSCO
prop-2-enylsulfanylmethanol
CCC=CC(=O)O
pent-2-enoicacid
CCC(I)N(CC)c1ccc(C#N)cc1Cl
3-chloro-4-[ethyl(1-iodopropyl)amino]benzonitrile
CSC(F)I
fluoro(iodo)-methylsulfanylmethane
N#CC=CI
3-iodoprop-2-enenitrile
Cc1cc(N=O)ccc1CSF
(2-methyl-4-nitrosophenyl)methylthiohypofluorite
OSCCI
1-hydroxysulfanyl-2-iodoethane
ClCSCBr
bromo(chloromethylsulfanyl)methane
O=C(NOO)NC1CC(=O)N(Cc2ccccc2)C1
1-(1-benzyl-5-oxopyrrolidin-3-yl)-3-hydroperoxyurea
CCCCS(=O)CSC#N
butylsulfinylmethylthiocyanate
FN=NF
fluoro(fluoro)diazene
O=CNSN=CF
N-(formylamino)sulfanylmethanimidoylfluoride
CCNC(=O)OCC
ethylN-ethylcarbamate
O=C(CCl)CCO
1-chloro-4-hydroxybutan-2-one
FCCCCF
1-fluoro-4-fluorobutane
CCC(=O)NC#N
N-cyanopropanamide
C#CCCC#N
pent-4-ynenitrile
CSC=COBr
2-methylsulfanylethenylhypobromite
[2H]CI
deuterio(iodo)methane
N#CCSO
2-hydroxysulfanylacetonitrile
CSCC(C)F
2-fluoro-1-methylsulfanylpropane
CCCCCN(F)I
N-fluoro-N-iodopentan-1-amine
CN(C)C(=O)OC=NCl
chloroiminomethylN,N-dimethylcarbamate
COC#CBr
1-bromo-2-methoxyethyne