SMILES
stringlengths
2
934
IUPAC
stringlengths
6
1.87k
N#COCBr
bromomethoxyformonitrile
BrCC1CC1
bromomethylcyclopropane
CC=CI
1-iodoprop-1-ene
CCCCNF
N-fluorobutan-1-amine
CCCN(CS)CCO
2-[propyl(sulfanylmethyl)amino]ethanol
COONC=S
N-methylperoxymethanethioamide
NC1(S)CC=CC(SCO)C1
(5-amino-5-sulfanylcyclohex-2-en-1-yl)sulfanylmethanol
C=CSC(F)Br
1-[bromo(fluoro)methyl]sulfanylethene
O=CNI
N-iodoformamide
CCNC(C)CC(=O)NC1CC1
N-cyclopropyl-3-(ethylamino)butanamide
CSOC(O)OF
[hydroxy(methylsulfanyloxy)methyl]hypofluorite
S=CNS
N-methanethioylthiohydroxylamine
CC(Br)SS
1-bromo-1-(disulfanyl)ethane
CC(CC=O)N(Br)CCS
3-[bromo(2-sulfanylethyl)amino]butanal
S=CCCNCl
3-(chloroamino)propanethial
SCN1CCNCC1
piperazin-1-ylmethanethiol
CCCC=NCl
N-chlorobutan-1-imine
CCN(S)CS
[ethyl(sulfanyl)amino]methanethiol
C#CCCC
pent-1-yne
CNC(=O)CF
2-fluoro-N-methylacetamide
CCCCCC(S)c1csc(OC)n1
1-(2-methoxy-1,3-thiazol-4-yl)hexane-1-thiol
COOC(O)Br
bromo(methylperoxy)methanol
CCCCCCF
1-fluorohexane
OCCOCCN(SC1CC1)C1CC1
2-[2-[cyclopropyl(cyclopropylsulfanyl)amino]ethoxy]ethanol
N=COC(=O)Cl
methanimidoylcarbonochloridate
CCNC(S)OCO
[ethylamino(sulfanyl)methyl]oxymethanol
C#CCOC(C)(S)CC
2-prop-2-ynoxybutane-2-thiol
CSN1CCCC(O)C1
1-methylsulfanylpiperidin-3-ol
CSC(Cl)=CI
1-chloro-2-iodo-1-methylsulfanylethene
O=CC(O)O
2,2-dihydroxyacetaldehyde
COCC(C)OI
1-methoxypropan-2-ylhypoiodite
OC=NO
N-hydroxymethanimidicacid
CC(N)=O
acetamide
COC1C=CC=CC1
5-methoxycyclohexa-1,3-diene
C=COC=P
ethenoxymethylidenephosphane
CSOCC(C)(C)NS
N-(2-methyl-1-methylsulfanyloxypropan-2-yl)thiohydroxylamine
CSNCc1ccc(SC)cc1
N-methylsulfanyl-1-(4-methylsulfanylphenyl)methanamine
FC1CC1I
1-fluoro-2-iodocyclopropane
CCSCC
1-ethylsulfanylethane
CSNCC=O
2-(methylsulfanylamino)acetaldehyde
NNCS
hydrazinylmethanethiol
ON(S)CCS
N-sulfanyl-N-(2-sulfanylethyl)hydroxylamine
CSC(C)NF
N-fluoro-1-methylsulfanylethanamine
FCCCCS
4-fluorobutane-1-thiol
CC(NBr)SS
N-bromo-1-(disulfanyl)ethanamine
CCOSCC
1-ethylsulfanyloxyethane
CSC1CC1F
1-fluoro-2-methylsulfanylcyclopropane
CC(I)NCF
N-(fluoromethyl)-1-iodoethanamine
CCOCSC1CCCC1
ethoxymethylsulfanylcyclopentane
O=NCO
nitrosomethanol
N#Cc1ccc(S)cc1
4-sulfanylbenzonitrile
CCOCC=S
2-ethoxyethanethioaldehyde
SC1=CCCC=C1
cyclohexa-1,5-diene-1-thiol
Cc1nncn1NC(=O)O
(3-methyl-1,2,4-triazol-4-yl)carbamicacid
FC=NCF
fluoroN-(fluoromethyl)methanimine
N#COC=CBr
2-bromoethenylcyanate
S=CNI
N-iodomethanethioamide
CNC(F)I
1-fluoro-1-iodo-N-methylmethanamine
FN(S)CBr
N-(bromomethyl)-N-fluorothiohydroxylamine
C=C(S)NN
1-hydrazinylethenethiol
C=COCC
1-ethoxyethene
P=CSCBr
bromomethylsulfanylmethylidenephosphane
C=C(S)SF
1-sulfanylethenylthiohypofluorite
CC=CSC(C)Cl
1-chloro-1-prop-1-enylsulfanylethane
ClCCI
1-chloro-2-iodoethane
OCOCCl
chloromethoxymethanol
C=CCCF
1-fluorobut-3-ene
O=CCCCS
4-sulfanylbutanal
OCC1CNC(C2CC2)CN1CCF
[5-cyclopropyl-1-(2-fluoroethyl)piperazin-2-yl]methanol
OCc1cnc(F)c(NF)c1
[6-fluoro-5-(fluoroamino)pyridin-3-yl]methanol
CCC(=O)N1CC(COC#N)CCC1C
(6-methyl-1-propanoylpiperidin-3-yl)methylcyanate
FSSC=P
fluorodisulfanylmethylidenephosphane
OSC(S)S
hydroxysulfanyl(sulfanyl)methanethiol
C=COCN=O
1-(nitrosomethoxy)ethene
COC(=O)I
methylcarboniodidate
SSCOCl
disulfanylmethylhypochlorite
SC(CCI)SBr
(3-iodo-1-sulfanylpropyl)thiohypobromite
CNN
methylhydrazine
CCCCNC#N
butylcyanamide
CCCCC=S
pentanethial
S=CN=CI
N-methanethioylmethanimidoyliodide
CCNC(C)(F)SOO
N-ethyl-1-fluoro-1-hydroperoxysulfanylethanamine
CCc1cc(F)c(S)c(CO)c1
(5-ethyl-3-fluoro-2-sulfanylphenyl)methanol
CCN(C)CI
N-(iodomethyl)-N-methylethanamine
COONN
methylperoxyhydrazine
P=CCCNI
N-iodo-3-phosphanylidenepropan-1-amine
OONS
N-hydroperoxythiohydroxylamine
CON(C)NO
N-[methoxy(methyl)amino]hydroxylamine
CSCNO
N-(methylsulfanylmethyl)hydroxylamine
N=CCC(S)I
3-imino-1-iodopropane-1-thiol
ON=CC=S
2-hydroxyiminoethanethioaldehyde
SC(S)Cl
chloro(sulfanyl)methanethiol
COC#CC(=O)NCCN
N-(2-aminoethyl)-3-methoxyprop-2-ynamide
C=CSCCNC(C)(C)C
N-(2-ethenylsulfanylethyl)-2-methylpropan-2-amine
CSCSC#N
methylsulfanylmethylthiocyanate
BrCCI
1-bromo-2-iodoethane
NC(O)I
amino(iodo)methanol
N#CCOCC(=O)SF
[2-(cyanomethoxy)acetyl]thiohypofluorite
O=NSCI
iodo(nitrososulfanyl)methane
CCN1CC1
1-ethylaziridine