SMILES
stringlengths
2
904
IUPAC
stringlengths
6
1.71k
C=CC(=C)OF
buta-1,3-dien-2-ylhypofluorite
N#CC(=O)NN=N
1-cyano-N-diazenylformamide
CCCCC=CSO
1-hydroxysulfanylhex-1-ene
CN(C)C(O)F
dimethylamino(fluoro)methanol
Cc1ccc(C=Cc2cc(C)c(O)cc2C)cc1
2,5-dimethyl-4-[2-(4-methylphenyl)ethenyl]phenol
C=C(C)CC
2-methylbut-1-ene
CCC(C)CF
1-fluoro-2-methylbutane
N#CSSC=CBr
2-bromoethenyldisulfanylformonitrile
Cc1cc(C)c(C=Cc2ccc(CF)cc2)cc1C
1-[2-[4-(fluoromethyl)phenyl]ethenyl]-2,4,5-trimethylbenzene
CN=CC=O
2-methyliminoacetaldehyde
OCCCN=CF
N-(3-hydroxypropyl)methanimidoylfluoride
NN(S)Br
N-amino-N-bromothiohydroxylamine
CSCN(N)S
N-amino-N-(methylsulfanylmethyl)thiohydroxylamine
CC(F)(F)C1(N=CO)CC1
N-[1-(1,1-difluoroethyl)cyclopropyl]methanimidicacid
C=C(C)NN
prop-1-en-2-ylhydrazine
C=CSSC
1-(methyldisulfanyl)ethene
N#CNC(=O)O
cyanocarbamicacid
FCSC=CS
2-(fluoromethylsulfanyl)ethenethiol
CC=COCC
1-ethoxyprop-1-ene
Fc1ccc(S)cc1
4-fluorobenzenethiol
CCSOC
1-methoxysulfanylethane
O=CNCCO
N-(2-hydroxyethyl)formamide
ClCNCCl
chloroN-(chloromethyl)methanamine
CCOCOCl
ethoxymethylhypochlorite
N#CSOO
hydroperoxysulfanylformonitrile
FSC#CCl
2-chloroethynylthiohypofluorite
ONOO
N-hydroperoxyhydroxylamine
C=C(Cl)OF
1-chloroethenylhypofluorite
NN=NCC=O
2-(aminodiazenyl)acetaldehyde
FN=CCS
2-(fluoroimino)ethanethiol
CC(C=O)SO
2-hydroxysulfanylpropanal
COc1ccc(CN(CCCS)Cc2ccccc2)cc1
3-[benzyl-[(4-methoxyphenyl)methyl]amino]propane-1-thiol
O=C(NCO)OCC#CCl
3-chloroprop-2-ynylN-(hydroxymethyl)carbamate
FCC=NF
N,2-difluoroethanimine
NC(=O)Nc1cccc(Br)n1
(6-bromopyridin-2-yl)urea
COCNCO
methoxymethylaminomethanol-
CC(S)Br
1-bromoethanethiol
CC=C(Cl)Br
1-bromo-1-chloroprop-1-ene
O=CC=NCF
2-(fluoromethylimino)acetaldehyde
CN(Cl)CO
[chloro(methyl)amino]methanol
OON=CF
fluoroN-hydroperoxymethanimine
CCC=CCCCl
1-chlorohex-3-ene
O=C(CO)CSS
1-(disulfanyl)-3-hydroxypropan-2-one
C=CC(C)Cl
3-chlorobut-1-ene
NN(Cl)CF
1-chloro-1-(fluoromethyl)hydrazine
CCc1ccc(C)cc1
1-ethyl-4-methylbenzene
O=C(O)CCC=CF
5-fluoropent-4-enoicacid
OCCSS
2-(disulfanyl)ethanol
NC=S
methanethioamide
FC(Cl)NCS
[chloro(fluoro)methyl]aminomethanethiol
CC#CCSS
1-(disulfanyl)but-2-yne
S=CNS
N-methanethioylthiohydroxylamine
N#Cn1ccc(CCF)n1
3-(2-fluoroethyl)pyrazole-1-carbonitrile
CCNC(C)=O
N-ethylacetamide
CC#CC(=N)F
but-2-ynimidoylfluoride
CNC(=O)c1cc(O)cn1CF
1-(fluoromethyl)-4-hydroxy-N-methylpyrrole-2-carboxamide
N#CSCl
cyanothiohypochlorite
CSSC=CC#N
3-(methyldisulfanyl)prop-2-enenitrile
CC=NC=O
N-ethylideneformamide
CN1CCC(F)C1
3-fluoro-1-methylpyrrolidine
CCCON=CO
N-propoxymethanimidicacid
CC1=CCCC=C1N1CCCC1
1-(6-methylcyclohexa-1,5-dien-1-yl)pyrrolidine
CCCn1cc(S)cc1C(=O)NN
1-propyl-4-sulfanylpyrrole-2-carbohydrazide
COCC#CC#N
4-methoxybut-2-ynenitrile
OCCSc1ccc(OCO)cc1
2-[4-(hydroxymethoxy)phenyl]sulfanylethanol
FCCSCl
2-fluoroethylthiohypochlorite
OCc1ccn(CCl)n1
[1-(chloromethyl)pyrazol-3-yl]methanol
C=COCC
1-ethoxyethene
CSC=CBr
1-bromo-2-methylsulfanylethene
CCN(C)N=CO
N-[ethyl(methyl)amino]methanimidicacid
FCCCC1(CCl)CO1
2-(chloromethyl)-2-(3-fluoropropyl)oxirane
C=C(C)OF
prop-1-en-2-ylhypofluorite
C=CSOC#N
ethenylsulfanylcyanate
BrC1=CC=CC1
1-bromocyclopenta-1,3-diene
N#CN=NF
fluorodiazenylformonitrile
C=CC(=C)Cl
2-chlorobuta-1,3-diene
SC=CNS
2-(sulfanylamino)ethenethiol
SCSBr
bromosulfanylmethanethiol
O=C(CCl)c1ccc(Cl)cc1
2-chloro-1-(4-chlorophenyl)ethanone
COc1ccccc1CCF
1-(2-fluoroethyl)-2-methoxybenzene
C#CN1CCC1
1-ethynylazetidine
CSSc1cc(O)ccc1Cl
4-chloro-3-(methyldisulfanyl)phenol
SCSSBr
bromodisulfanylmethanethiol
CC(C)(F)NF
N,2-difluoropropan-2-amine
COc1cncc(F)c1C
3-fluoro-5-methoxy-4-methylpyridine
OCCOCBr
2-(bromomethoxy)ethanol
C#C
ethyne
C=C=CCC#N
penta-3,4-dienenitrile
C#CCCSC
1-methylsulfanylbut-3-yne
CC1CCCC(COBr)C1
(3-methylcyclohexyl)methylhypobromite
CCN1CCC1
1-ethylazetidine
FON1CCC1
1-fluorooxyazetidine
CN(N)CBr
1-(bromomethyl)-1-methylhydrazine
CN(C)CCCN1CCNC(CO)C1
[4-[3-(dimethylamino)propyl]piperazin-2-yl]methanol
FC=CNC=NS
N-(2-fluoroethenyl)-N'-sulfanylmethanimidamide
CCSC=CCl
1-chloro-2-ethylsulfanylethene
FCSSF
fluoro(fluorodisulfanyl)methane
C=C(C#CF)NN
4-fluorobut-1-en-3-yn-2-ylhydrazine
CNC1CCCC2=C1NCCC2
N-methyl-1,2,3,4,5,6,7,8-octahydroquinolin-8-amine