SMILES
stringlengths
2
906
IUPAC
stringlengths
6
1.72k
OCNCI
iodomethylaminomethanol
CC(=O)NCNC1CC2CC1C1CCCC21
N-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]acetamide
CCC(C)N
butan-2-amine
CC(C)=NF
N-fluoropropan-2-imine
OCCCBr
3-bromopropan-1-ol
NC(O)SF
[amino(hydroxy)methyl]thiohypofluorite
CNCNC
methylaminomethylaminomethane
CN(O)CCF
N-(2-fluoroethyl)-N-methylhydroxylamine
CCC(F)S
1-fluoropropane-1-thiol
FCCNCCl
N-(chloromethyl)-2-fluoroethanamine
CNc1ccc(C)cc1
N,4-dimethylaniline
C=CSCS
ethenylsulfanylmethanethiol
O=NNCCl
N-(chloromethyl)nitrousamide
CSN(S)Cl
N-chloro-N-methylsulfanylthiohydroxylamine
N#CCCCCC=S
6-sulfanylidenehexanenitrile
CC(CCS(C)=O)Nc1nnc(CC(=O)O)o1
2-[5-(4-methylsulfinylbutan-2-ylamino)-1,3,4-oxadiazol-2-yl]aceticacid
NN(F)S
N-amino-N-fluorothiohydroxylamine
OCCCCCC1CC=CC1
5-cyclopent-3-en-1-ylpentan-1-ol
OCSOO
hydroperoxysulfanylmethanol
CN(C)C#N
dimethylcyanamide
OONS
N-hydroperoxythiohydroxylamine
CC(Br)c1onc2cc(C(C)C(=O)O)ccc12
2-[3-(1-bromoethyl)-2,1-benzoxazol-6-yl]propanoicacid
OCSS
disulfanylmethanol
O=CCNO
2-(hydroxyamino)acetaldehyde
CCCC1CC1CCCO
3-(2-propylcyclopropyl)propan-1-ol
OB(O)c1cc(O)ccc1F
(2-fluoro-5-hydroxyphenyl)boronicacid
N=CCNO
N-(2-iminoethyl)hydroxylamine
CCNNF
1-fluoro-2-ethylhydrazine
CB(O)c1cc(F)ccc1C#N
(2-cyano-5-fluorophenyl)-methylborinicacid
FCOOCS
fluoromethylperoxymethanethiol
C=CON
O-ethenylhydroxylamine
CNCC(F)S
1-fluoro-2-(methylamino)ethanethiol
SCCCN1CC1
3-(aziridin-1-yl)propane-1-thiol
N[N+](=O)c1ccc(OBr)o1
amino-(5-bromooxyfuran-2-yl)-oxoazanium
NN(O)C1CC1
N-amino-N-cyclopropylhydroxylamine
N=CCCl
2-chloroethanimine
N=NC=CCF
3-fluoroprop-1-enyldiazene
C#Cc1ccc(OBr)o1
(5-ethynylfuran-2-yl)hypobromite
C#CNS
N-ethynylthiohydroxylamine
COc1cc(NF)ccc1CNC(C)F
N-fluoro-4-[(1-fluoroethylamino)methyl]-3-methoxyaniline
CC(S)I
1-iodoethanethiol
CC(NN)NF
1-(fluoroamino)ethylhydrazine
FNC=S
N-fluoromethanethioamide
CCNC#N
ethylcyanamide
C=CCN(S)CCc1ccccc1
N-(2-phenylethyl)-N-prop-2-enylthiohydroxylamine
FCCC(F)(F)F
1,1,1,3-tetrafluoropropane
ON(I)I
N,N-diiodohydroxylamine
ICI
diiodomethane
Nc1cc(CCCCC=O)ccc1O
5-(3-amino-4-hydroxyphenyl)pentanal
CSC#CS
2-methylsulfanylethynethiol
OOC1CCCC1O
2-hydroperoxycyclopentan-1-ol-
COCCCCC(C)NN
6-methoxyhexan-2-ylhydrazine
CC1CC1CO
(2-methylcyclopropyl)methanol
CN(S)C(=O)Nc1ccccc1S
1-methyl-1-sulfanyl-3-(2-sulfanylphenyl)urea
Cc1cc(Br)ccc1N
4-bromo-2-methylaniline
C[NH2+]c1ccc(C2CCCO2)cc1SS
[2-(disulfanyl)-4-(oxolan-2-yl)phenyl]-methylazanium
C#COO
1-hydroperoxyethyne
N#CSI
cyanothiohypoiodite
O=CCI
2-iodoacetaldehyde
N=CCOF
2-iminoethylhypofluorite
CCCNCC(C)Cc1c(C)nc(F)nc1C
3-(2-fluoro-4,6-dimethylpyrimidin-5-yl)-2-methyl-N-propylpropan-1-amine
OC(CS)c1ccncc1F
1-(3-fluoropyridin-4-yl)-2-sulfanylethanol
CNCC(=O)NCS
2-(methylamino)-N-(sulfanylmethyl)acetamide
CC(C)(C)F
2-fluoro-2-methylpropane
COc1ccccc1F
1-fluoro-2-methoxybenzene
ClCSCl
chloromethylthiohypochlorite
CN(O)CN
N-(aminomethyl)-N-methylhydroxylamine
N=NCl
chlorodiazene
CCN(C)O
N-ethyl-N-methylhydroxylamine
FCCCCCl
1-chloro-4-fluorobutane
NCCC=O
3-aminopropanal
FOC(F)Cl
[chloro(fluoro)methyl]hypofluorite
COSC(C)N(N)OC
1-methoxy-1-(1-methoxysulfanylethyl)hydrazine
C#CNNC=O
N-(ethynylamino)formamide
CC(=O)NCCOCCN
N-[2-(2-aminoethoxy)ethyl]acetamide
NC(=O)NF
fluorourea
FC#CSCS
2-fluoroethynylsulfanylmethanethiol
COC(=O)CI
methyl2-iodoacetate
FC=Nc1ccncc1
fluoroN-pyridin-4-ylmethanimine
CSCN(C)F
N-fluoro-N-methyl-1-methylsulfanylmethanamine
C#CON=C
N-ethynoxymethanimine
CN=C(NF)NCO
1-fluoro-3-(hydroxymethyl)-2-methylguanidine
OCSSO
hydroxydisulfanylmethanol
N=Cc1ccc(F)cc1NC(=O)NS
1-(5-fluoro-2-methanimidoylphenyl)-3-sulfanylurea
CC1C(CC#N)CCNC1O
2-(2-hydroxy-3-methylpiperidin-4-yl)acetonitrile
SCCNCS
2-(sulfanylmethylamino)ethanethiol
C=CCNCS
prop-2-enylaminomethanethiol
C=CCCSI
but-3-enylthiohypoiodite
CC(N)(CNCI)OO
2-hydroperoxy-1-N-(iodomethyl)propane-1,2-diamine
C#CON
O-ethynylhydroxylamine
NCC(Br)SS
2-bromo-2-(disulfanyl)ethanamine-
CN(F)CCI
N-fluoro-2-iodo-N-methylethanamine
NNNCF
fluoromethylaminohydrazine
NNCC=O
2-hydrazinylacetaldehyde
CN=CCCl
2-chloro-N-methylethanimine
ICSI
iodomethylthiohypoiodite
CN(CC=S)CCF
2-[2-fluoroethyl(methyl)amino]ethanethioaldehyde
CCCCc1ccoc1CNCCNC(=O)C1CC1
N-[2-[(3-butylfuran-2-yl)methylamino]ethyl]cyclopropanecarboxamide
OC(S)c1ccncc1F
(3-fluoropyridin-4-yl)-sulfanylmethanol
N#CSCCS
2-sulfanylethylsulfanylformonitrile