SMILES
stringlengths
2
996
IUPAC
stringlengths
6
1.68k
CCSSCC(=O)O
2-(ethyldisulfanyl)aceticacid
CC=CNC#N
prop-1-enylcyanamide
FB(F)Br
bromo(difluoro)borane
NC(=S)NCCCNC=S
N-[3-(carbamothioylamino)propyl]methanethioamide
NNCCBr
2-bromoethylhydrazine
CSCCOc1ccccc1
2-methylsulfanylethoxybenzene
OC=S
methanethioicacid
COCCSN=CF
fluoroN-(2-methoxyethylsulfanyl)methanimine
N#Cc1ccc(Cl)cc1
4-chlorobenzonitrile
COONN
methylperoxyhydrazine
CC(=O)C1CN(OO)C1
1-(1-hydroperoxyazetidin-3-yl)ethanone
CNCC1COc2cc(C)ccc2N1N=N
1-(4-diazenyl-7-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-methylmethanamine
OCSCCCl
2-chloroethylsulfanylmethanol
CC=CCC1(CNCN)CC1
N'-[(1-but-2-enylcyclopropyl)methyl]methanediamine
COCOCOC
methoxymethoxymethoxymethane
COCSc1cccc(SF)c1
[3-(methoxymethylsulfanyl)phenyl]thiohypofluorite
C#CN=N
ethynyldiazene
FC#COF
2-fluoroethynylhypofluorite
O=S(Cc1cccnc1)C(Cl)CS
2-chloro-2-(pyridin-3-ylmethylsulfinyl)ethanethiol
N=NCCCCF
4-fluorobutyldiazene
N#Cc1cccc(-c2n[nH]c3c2CN(O)CC3)c1
3-(5-hydroxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)benzonitrile
SC1CC=CC1
cyclopent-3-ene-1-thiol
CCCCSCF
1-(fluoromethylsulfanyl)butane
N=NCSCN
diazenylmethylsulfanylmethanamine
CC(=O)NC#N
N-cyanoacetamide
O=CCOB(F)F
2-(difluoroboranyloxy)acetaldehyde
FSC=CNCl
2-(chloroamino)ethenylthiohypofluorite
O=CSCl
formylthiohypochlorite
N#CNO
hydroxycyanamide
O=C(CF)N/N=C/C1(F)CC1
2-fluoro-N-[(E)-(1-fluorocyclopropyl)methylideneamino]acetamide
CCCC(NCF)c1ccccc1
N-(fluoromethyl)-1-phenylbutan-1-amine
CCCC(=O)NC1CC(N)C1
N-(3-aminocyclobutyl)butanamide
CC=CSCS
prop-1-enylsulfanylmethanethiol
CB(O)S
methyl(sulfanyl)borinicacid-
C#CCNCCl
N-(chloromethyl)prop-2-yn-1-amine
COC(=O)C(=S)C1CC1
methyl2-cyclopropyl-2-sulfanylideneacetate
COC=CCC(NCC(C)C)OCCCF
1-(3-fluoropropoxy)-4-methoxy-N-(2-methylpropyl)but-3-en-1-amine
NCSCCl
chloromethylsulfanylmethanamine
CC(F)CCCF
1,4-difluoropentane
OCCOO
2-hydroperoxyethanol
CNC1CC=CC=C1OF
[6-(methylamino)cyclohexa-1,3-dien-1-yl]hypofluorite
CC(Cl)=CCCl
1,3-dichlorobut-2-ene
SNSCCl
chloromethylsulfanylthiohydroxylamine
C=COCC
1-ethoxyethene
N#CONO
hydroxyaminocyanate
O=C(F)CSF
(2-fluoro-2-oxoethyl)thiohypofluorite
CC=NOCCF
N-(2-fluoroethoxy)ethanimine-
OOC(Cl)CF
1-chloro-1-hydroperoxy-2-fluoroethane
COON(C)CCF
2-fluoro-N-methylperoxy-N-methylethanamine
CCCCCCO
hexan-1-ol
N#CNCF
fluoromethylaminoformonitrile
O=C(CF)NC1CCCN(c2ncccn2)C1
2-fluoro-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
OCCSCSS
2-(disulfanylmethylsulfanyl)ethanol
C=CSN(C)S
N-ethenylsulfanyl-N-methylthiohydroxylamine
N=C(O)SS
disulfanylmethanimidicacid
C=C(C#N)CN=N
2-(diazenylmethyl)prop-2-enenitrile
CSOCO
methylsulfanyloxymethanol
CCN(N)SC
1-ethyl-1-methylsulfanylhydrazine
N=CC=O
2-iminoacetaldehyde
C#C
ethyne
N=CCl
chloromethanimine
O=CC1CC1
cyclopropanecarbaldehyde
C=NOC#N
(methylideneamino)cyanate
CCN(C)F
N-fluoro-N-methylethanamine
CN(C/C=C\CCl)SS
(Z)-4-chloro-N-(disulfanyl)-N-methylbut-2-en-1-amine
Cn1c(CCN)nc2ccccc21
2-(1-methylbenzimidazol-2-yl)ethanamine
CCC(C)CNCS
2-methylbutylaminomethanethiol
CC(=O)F
acetylfluoride
N#CC(OO)OF
[cyano(hydroperoxy)methyl]hypofluorite
OCNCCF
2-fluoroethylaminomethanol
NNCCC1CC1
2-cyclopropylethylhydrazine
CC#CNOC
N-methoxyprop-1-yn-1-amine-
OCNCCl
chloromethylaminomethanol
FSSF
fluorodisulfanylfluoride
C=CC(F)=S
1-fluoroprop-2-enethioaldehyde
SSC(S)Br
bromo(disulfanyl)methanethiol
FC1CCCCC1
fluorocyclohexane
CC(CNCCl)C(=O)O
3-(chloromethylamino)-2-methylpropanoicacid
CC(Cl)CNO
N-(2-chloropropyl)hydroxylamine
CC(F)CF
1,2-difluoropropane
OC=NS
N-sulfanylmethanimidicacid
NC(CCC[C@H](N)C(=O)O)C(=O)F
(2S)-2,6-diamino-7-fluoro-7-oxoheptanoicacid
CSN(C)CCF
N-(2-fluoroethyl)-N-methylsulfanylmethanamine
C#CN(N)COO
1-ethynyl-1-(hydroperoxymethyl)hydrazine
NNCc1cc2c(o1)CCCC2
4,5,6,7-tetrahydro-1-benzofuran-2-ylmethylhydrazine
CN=CO
methyliminomethanol-
CN(C)CCCF
3-fluoro-N,N-dimethylpropan-1-amine
SSC=CNCBr
N-(bromomethyl)-2-(disulfanyl)ethenamine-
ClCSCl
chloromethylthiohypochlorite
CON(F)NCS
[[fluoro(methoxy)amino]amino]methanethiol
Cc1c(O)cccc1NC(=O)C(=O)NC(C)C
N'-(3-hydroxy-2-methylphenyl)-N-propan-2-yloxamide
CC=CCOC
1-methoxybut-2-ene
COC(C)Cl
1-chloro-1-methoxyethane
CC(=O)C1CN(F)C1
1-(1-fluoroazetidin-3-yl)ethanone
CC=CC=C(C)COCCSCCO
2-[2-(2-methylhexa-2,4-dienoxy)ethylsulfanyl]ethanol
CCCCCCCCCO
nonan-1-ol
CC(=N)C(F)=S
2-iminopropanethioylfluoride
BrCc1ccccc1
bromomethylbenzene
O=CN(O)CO
N-hydroxy-N-(hydroxymethyl)formamide
CCCCCc1nn(CC(=O)Nc2cccc(Cl)c2CNN)c(=O)[nH]1
N-[3-chloro-2-(hydrazinylmethyl)phenyl]-2-(5-oxo-3-pentyl-4H-1,2,4-triazol-1-yl)acetamide