ABCDEFGHIJKLMNOPQRSTUVWXYZAAAB
1
CMG_idCMG_namePopulation Statusmember counthazard countGSLTHPDprioritydescriptionSMILESProfile Typesearch stringlist_requiring_exceptionExceptions Parent Group IDExceptions Parent Group Name
2
2072010ARSENIC COMPOUNDS, ORGANIC8/15/2016156422113: highThis compound group is defined by the SMILES string 'C[As]'. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.C[As]structureProfile Type
3
2072011CHROMIUM (III) COMPOUNDS11/17/20174931113: highThis compound group is defined by the SMILES string '[Cr+3]'. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.[Cr+3]elementstructure
4
2072012CHROMIUM (VI) COMPOUNDS11/17/201711532113: highThis compound group is defined by the SMILES string '[Cr+6]'. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.[Cr+6]otherelement
5
2072042ALUMINUM COMPOUNDSin progress601113: highThis compound group is defined by the SMILES string '[Al]'. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.[Al]elementaluminumother
6
2072043BARIUM COMPOUNDSin progress444003: highThis compound group is defined by the SMILES string '[Ba]'. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.[Ba]elementbariumfixed list
7
2072044BERYLLIUM COMPOUNDSin progress13911113: highThis compound group is defined by the SMILES string '[Be]'. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.[Be]elementberyllium
structure / other
8
2072047CADMIUM COMPOUNDSin progress35530113: highThis compound group is defined by the SMILES string '[Cd]'. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.[Cd]elementcadmiumfunctional use
9
2072048COBALT COMPOUNDSin progress48917113: highThis compound group is defined by the SMILES string '[Co]'. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.[Co]elementcobalt
10
2072052Fluoride compounds, Inorganicin progress432103: highThis compound group is defined by the SMILES string '[F]' and subsequently filtered to remove substances containing '[C]'. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.
[FD0] subtracting [FD0].C
other
11
2072033LEAD COMPOUNDSin progress83630113: highThis compound group is defined by the SMILES string '[Pb]'. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.[Pb]elementlead
12
2072027TIN COMPOUNDS, INORGANICin progress14003: highThis compound group is defined by the SMILES string '[Sn]' and subsequently filtered to remove substances containing '[C]'. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.
[Sn] subtracting [Sn].C
otherTIN, INORGANIC
13
2072025THALLIUM COMPOUNDSin progress70NULLNULL3: highThis compound group is defined by the SMILES string '[Tl]'. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.[Tl]elementTHALLIUM
14
2072028ORGANOTIN COMPOUNDSin progress2736113: highThis compound group is defined by the SMILES string 'C[Sn]'. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.C[Sn]element
15
2072077POLYCYCLIC AROMATIC COMPOUNDS (OSHA EXCLUSIONS)TRUE214003: highThis compound group is defined by a list in the US EPA's Toxics Release Inventory (TRI) Basis of OSHA Carcinogens document, available at https://www.epa.gov/toxics-release-inventory-tri-program/tri-basis-osha-carcinogens.fixed list
16
2072050Salts of hydrogen cyanide with the exception of complex cyanides and those specified elsewhere in Annex VI of Regulation (EC) No 1272/2008112103: highThis compound group has not yet been assigned a structural definition. Complex cyanides include ferrocyanides, ferricyanides and mercuric oxycyanide.
[CD1]#[ND1] - should work but doesn't. Unclear if PubChem interprets the D1 as a bond to a single heavy element
other3052072050
CYANIDE SALTS
17
2072037FURANS01003: highThis compound group is defined by the SMILES string &#39;C1=COC=C1&#39;. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.
C1=COC=C1
otherFURAN
18
2072032DIOXINS & DIOXIN-LIKE COMPOUNDS1012003: highThis compound group is defined by the SMILES string &#39;C1=COC=CO1&#39;. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.
C1=COC=CO1
othermercury
19
2072034VOLATILE ORGANIC COMPOUNDS10NULLNULL3: highThis compound group has not yet been assigned a structural definition.other
20
2072036CHLOROPHENOLS43003: highThis compound group has not yet been assigned a structural definition.
structure / other
CHLOROPHENOL
21
2072038GLYCOL ETHERS73003: highThis compound group has not yet been assigned a structural definition.otherGLYCOL ETHER
22
2072040POLYCHLORINATED DIBENZOFURANS (PCDF)108113: highThis compound group has not yet been assigned a structural definition.other
POLYCHLORINATED DIBENZOFURAN
23
2072041POLYCHLORINATED DIBENZO-P-DIOXINS (PCDD)820113: highThis compound group has not yet been assigned a structural definition.other
POLYCHLORINATED DIBENZO-P-DIOXIN
24
2072078Formaldehyde compounds382003: highThis compound group has not yet been assigned a structural definition.otherFormaldehyde
25
2072045BORON COMPOUNDS261001: lowThis compound group is defined by the SMILES string '[B]'. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.[B]elementboron
26
2072049CYANIDE COMPOUNDS187103: highThis compound group is defined by the SMILES string '[C-]#N'. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.[C-]#Nstructurecyanide
27
2072014GERMANIUM COMPOUNDSin progress01003: highThis compound group is defined by the SMILES string '[Ge]'. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.[Ge]element
germanium, germinate, germa, germane
28
2072018MANGANESE COMPOUNDSin progress11003: highThis compound group is defined by the SMILES string '[Mn]'. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.[Mn]elementMANGANESE
29
2072019MOLYBDENUM COMPOUNDSin progress03003: highThis compound group is defined by the SMILES string '[Mo]'. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.[Mo]elementMOLYBDENUM
30
2072051DIBENZOFURAN COMPOUNDS
populated by other groups
170NULLNULL3: highThis compound group is defined by the SMILES string 'C1=CC=C2C(=C1)C3=CC=CC=C3O2'. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.
C1=CC=C2C(=C1)C3=CC=CC=C3O2
structure / other
DIBENZOFURAN
31
2072039ORGANOPHOSPHOROUS COMPOUNDS51003: highThis compound group is defined by the SMILES string 'POC'. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.POCstructure
32
2072060SELENIUM COMPOUNDS8/15/201631943102: mediumThis compound group is defined by the SMILES string '[Se]'. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.[Se]elementselenium
33
2072054MERCURY COMPOUNDSin progress101122102: mediumThis compound group is defined by the SMILES string '[Hg]'. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.[Hg]elementmercury
34
2072053LEAD COMPOUNDS, INORGANICin progress27939112: mediumThis compound group is defined by the SMILES string '[Pb]' and subsequently filtered to remove substances containing '[C]'. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.
[Pb] subtracting [Pb].C
other
35
2072062ZINC COMPOUNDSin progress665002: mediumThis compound group is defined by the SMILES string '[Zr]'. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.[Zr]elementZINC
36
2072058PERFLUORINATED ALKYL SUBSTANCES (PFAS), LONG-CHAIN13610012: mediumThis compound group has not yet been assigned a structural definition.other
37
2072063QUATERNARY AMMONIUM COMPOUNDS, NOS131112: mediumThis compound group is defined by the SMILES string &#39;C[N+](C)(C)C&#39;. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.
C[N+](C)(C)C
structure
38
2072087HEXACHLOROCYCLOHEXANE ISOMERSin progress64112: mediumThis compound group is defined by the SMILES string &#39;C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl&#39;. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.structure
HEXACHLOROCYCLOHEXANE
39
2072084BENZIDINE SALTSin progress397112: mediumThis compound group is defined by the SMILES string &#39;C1=CC(=CC=C1C2=CC=C(C=C2)N)N&#39;. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.
[CH]1=[CH][C](=[CH][CH]=C1C2=[CH][CH]=[C]([CH]=[CH]2)[NH2])[NH2]
structure
40
2072090O-PHENYLENEDIAMINE SALTSin progress21112: mediumThis compound group is defined by the SMILES string &#39;C1=CC=C(C(=C1)N)N&#39;. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.
[CH]1=[CH][CH]=[C]([C](=[CH]1)[NH2])[NH2]
structure
O-PHENYLENEDIAMINE
41
2072091PHENYLHYDRAZINE SALTSin progress44112: mediumThis compound group is defined by the SMILES string &#39;C1=CC=C(C=C1)NN&#39;. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.
[CH]1=[CH][CH]=C([CH]=[CH]1)[NH][NH2]
other
PHENYLHYDRAZINE SALTS
42
2072092QUINOLINE STRONG ACID SALTS01112: mediumThis compound group is defined by the SMILES string &#39;C1=CC=C2C(=C1)C=CC=N2&#39;. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.
C1=CC=C2C(=C1)C=CC=N2
other
43
2072082ARISTOLOCHIC ACIDS03112: mediumThis compound group is defined by the SMILES string &#39;C1OC2=C(O1)C3=C(C(=C2)C(=O)O)C(=CC4=CC=CC=C43)[N+](=O)[O-]&#39;. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.
C1OC2=C(O1)C3=C(C(=C2)C(=O)O)C(=CC4=CC=CC=C43)[N+](=O)[O-]
other
ARISTOLOCHIC ACID
44
20720792,4,5-TRIMETHYLANILINE STRONG ACID SALTS01112: mediumThis compound group is defined by the SMILES string &#39;CC1=CC(=C(C=C1C)N)C&#39;. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.
CC1=CC(=C(C=C1C)N)C
other
2,4,5-TRIMETHYLANILINE
45
2072095TAMOXIFEN SALTS02112: mediumThis compound group is defined by the SMILES string &#39;CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3&#39;. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.
CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3
other
46
2072088METHYLHYDRAZINE SALTSin progress15112: mediumThis compound group is defined by the SMILES string &#39;CNN&#39;. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.
[CH3][NH][NH2]
structure
METHYLHYDRAZINE
47
2072059POLYCYCLIC AROMATIC COMPOUNDS - Compound Group733112: mediumThis compound group has not yet been assigned a structural definition.
structure / other
48
20720803,3'-DIMETHYLBENZIDINE-BASED DYES02112: mediumThis compound group has not yet been assigned a structural definition.
structure / other
49
20720813,3'-DIMETHOXYBENZIDINE-BASED DYES02112: mediumThis compound group has not yet been assigned a structural definition.
structure / other
50
2072083ARSENIC, INORGANIC OXIDES8/9/18234112: mediumThis compound group has not yet been assigned a structural definition.-other
51
2072085BENZIDINE-BASED DYES49112: mediumThis compound group has not yet been assigned a structural definition.other
52
2072086CREOSOTE COMPOUNDS104112: mediumThis compound group has not yet been assigned a structural definition.otherCREOSOTE
53
2072093CRYSTALLINE SILICAS - RESPIRABLE55112: mediumThis compound group has not yet been assigned a structural definition.other
54
2072096TETRACYCLINES01112: mediumThis compound group has not yet been assigned a structural definition.
structure / other
TETRACYCLINE
55
2072089Mercury Compounds, Methylmercury729102: mediumThis compound group is defined by the SMILES string '[CH3][Hg]'. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.
[CH3][Hg]
structure
56
2072144Arsenic Acid Salts8/15/20169134111: lowThis compound group is defined by the SMILES string &#39;O[As](=O)(O)O&#39;. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.
O[As](=O)(O)O
structure
57
2072101PHTHALATES (orthophthalates)8/16/20164518001: lowThis compound group is defined by the SMILES string &#39;COC(=O)c1[cH][cH][cH][cH]c1C(=O)OC&#39;. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.
COC(=O)c1[cH][cH][cH][cH]c1C(=O)OC
structurephthalate
58
2072237ISOCYANATES7/19/201734391001: lowThis compound group is defined by the SMARTS string &quot;[NX2:2]=[C:1]=[OX1:3]&quot;. For more information on SMARTS, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Smiles_arbitrary_target_specification</a>.
CN=C=O
structureISOCYANATE
59
2072103POLYISOCYANATE COMPOUNDS7/24/201710514001: lowThis compound group is defined by the SMARTS string ([NX2:2]=[C:1]=[OX1:3].[NX2:2]=[C:1]=[OX1:3]). For more information on SMARTS, see https://en.wikipedia.org/wiki/Smiles_arbitrary_target_specification.structure
60
2072225Salts of anilinein progress512111: lowThis compound group is defined by the SMILES string &#39;[CH]1=[CH][CH]=C([CH]=[CH]1)[NH2]&#39;. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system.
[CH]1=[CH][CH]=C([CH]=[CH]1)[NH2]
structure
61
2072074TRIPHENYLTIN COMPOUNDSin progress417111: lowThis compound group is defined by the SMILES string &#39;C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)C3=CC=CC=C3&#39;. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.
[CH]1=[CH][CH]=C([CH]=[CH]1)[Sn]([C]2=[CH][CH]=[CH][CH]=[CH]2)[C]3=[CH][CH]=[CH][CH]=[CH]3
structureTRIPHENYLTIN
62
2072190Tri-n-butyltin compoundsin progress10223111: lowThis compound group is defined by the SMILES string &#39;CCCC[Sn](CCCC)CCCC&#39;. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.
[CH3][CH2][CH2][CH2][Sn]([CH2][CH2][CH2][CH3])[CH2][CH2][CH2][CH3]
structuretributyltin
63
2072189Di-n-butyltin compoundsin progress4910111: lowThis compound group is defined by the SMILES string &#39;CCCC[Sn]CCCC.CCCC[Sn]CCCC&#39;. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.
[CH3][CH2][CH2][CH2][Sn][CH2][CH2][CH2][CH3]
structuredibutyltin
64
2072194Tri-n-octyltin compoundsin progress110111: lowThis compound group is defined by the SMILES string &#39;CCCCCCCC[Sn](CCCCCCCC)(CCCCCCCC)&#39;. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.
[CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][Sn]([CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3]
structureTri-n-octyltin
65
2072193Di-n-octyltin compoundsin progress1210111: lowThis compound group is defined by the SMILES string &#39;CCCCCCCC[Sn]CCCCCCCC&#39;. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.
CCCCCCCC[Sn]CCCCCCCC
structuredioctyltin
66
2072191n-Octyltin compoundsin progress147111: lowThis compound group has not yet been assigned a structural definition.otheroctyltin
67
2072204Tetrabutyltinsin progress27111: lowThis compound group has not yet been assigned a structural definition.otherTetrabutyltin
68
2072254Ioxynil saltsin progress30NULLNULL1: lowThis compound group has not yet been assigned a structural definition.
[CH]1=C([CH]=C(C(=C1I)[OH])I)C#N
otherioxynil
69
2072199Gold compounds, inorganicin progress01111: lowThis compound group is defined by the SMILES string '[Au]' and subsequently filtered to remove substances containing '[C]'. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.
[Au] subtracting [Au].C
other
70
2072170Beryllium inorganic compoundsin progress02111: lowThis compound group is defined by the SMILES string '[Be]' and subsequently filtered to remove substances containing '[C]'. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.
[Be] subtracting [Be].C
other
71
2072171Cadmium compounds, inorganicin progress16333111: lowThis compound group is defined by the SMILES string '[Cd]' and subsequently filtered to remove substances containing '[C]'. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.
[Cd] subtracting [Cd].C
other
72
2072106CERIUM COMPOUNDSin progress31001: lowThis compound group is defined by the SMILES string '[Ce]'. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.[Ce]elementcerium
73
2072075NICKEL COMPOUNDSin progress35518111: lowThis compound group is defined by the SMILES string '[Ni]'. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.[Ni]elementnickel
74
2072184Rhodium compounds, inorganicin progress01111: lowThis compound group is defined by the SMILES string '[Rh]' and subsequently filtered to remove substances containing '[C]'. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.
[Rh] subtracting [Rh].C
other
75
2072172Antimony compounds, inorganicin progress29920001: lowThis compound group is defined by the SMILES string '[Sb]' and subsequently filtered to remove substances containing '[C]'. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.
[Sb] subtract [Sb].C
other
76
2072185Selenium compounds, inorganicin progress02111: lowThis compound group is defined by the SMILES string '[Se]' and subsequently filtered to remove substances containing '[C]'. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.
[Se] subtracting [Se].C
other
77
2072134Uranium compoundsin progress32111: lowThis compound group is defined by the SMILES string '[U]'. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.[U]elementUranium
78
2072174Vanadium compounds, inorganicin progress12111: lowThis compound group is defined by the SMILES string '[V]' and subsequently filtered to remove substances containing '[C]'. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.
[V] subtracting [V].C
other
79
2072230Tetraalkyl lead compoundsin progress2249111: lowThis compound group is defined by the SMILES string 'C[Pb](*C)(C)C' and subsequently filtered to remove substances containing 'c[Pb]' (lowercase specifies aromatic). For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.
C[Pb](C)(C)C then subtract c[Pb] (lowercase specifies aromatic)
other
80
2072217Antimony compounds, organicin progress114001: lowThis compound group is defined by the SMILES string 'C[Sb]'. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.C[Sb]structure
81
2072188Mono-n-butyltin compoundsin progress18111: lowThis compound group is defined by the SMILES string 'CCCC[SnH3]'. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.
CCCC[SnH3]
structureMono-n-butyltin
82
2072192Mono-n-octyltin compoundsin progress08111: lowThis compound group is defined by the SMILES string 'CCCCCCCC[Sn]'. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.
CCCCCCCC[Sn]
structureMono-n-octyltin
83
2072064POLYBROMINATED BIPHENYLS (PBBs)TRUE5428101: lowThis compound group was populated from the 2016 GADSL list at http://www.gadsl.org/
structure / other
84
2072264Pentanol isomers (MAK list)TRUE94101: lowThis compound group has not yet been assigned a structural definition.fixed list
85
2072258Iron Oxides (MAK list of 4)TRUE41111: lowThis compound group is defined by the SMILES string &#39;O[Fe]&#39;. For more information on SMILES, see <a href="https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system" target="_blank">https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system</a>.O[Fe]
structure / other
86
2072267Sesquiterpene lactones (MAK list)TRUE161111: lowThis compound group is populated from the List of Substances with MAK &amp; BAT Values &amp; Categories at http://onlinelibrary.wiley.com/store/10.1002/9783527812127.oth/asset/oth.pdf?v=1&amp;t=jasibday&amp;s=5ca2bde2067c57e83f4b040bd5cd056eda4714b7fixed list
87
2072197Cresol isomersTRUE41111: lowThis compound group has not yet been assigned a structural definition.
structure / other
Cresol
88
2072213TetrachlorobenzenesTRUE44101: lowThis compound group has not yet been assigned a structural definition.other
Tetrachlorobenzene
89
2072121HBCDD ISOMERS (REACH LIST)TRUE65111: lowThis compound group is defined by a list in the Annex XIV of REACH ("Authorisation List") available at <a href="https://echa.europa.eu/web/guest/addressing-chemicals-of-concern/authorisation/recommendation-for-inclusion-in-the-authorisation-list/authorisation-list" target="_blank">https://echa.europa.eu/web/guest/addressing-chemicals-of-concern/authorisation/recommendation-for-inclusion-in-the-authorisation-list/authorisation-list</a>fixed list
90
2072249Endosulfan IsomersTRUE22111: lowThis compound group was populated from the Stockholm POPs Convention decision <a href="http://chm.pops.int/TheConvention/ThePOPs/TheNewPOPs/tabid/2511/Default.aspx" target="_blank">http://chm.pops.int/TheConvention/ThePOPs/TheNewPOPs/tabid/2511/Default.aspx</a>fixed listEndosulfan
91
2072209Perfluorooctane sulfonyls111011: lowCompounds that contain one of the following groups: C8F17SO2-, C8F17SO3- or C8F17SO2N-.structure
Perfluorooctane sulfonyl
92
2072219PERFLUOROOCTANOATE (PFOA, C-8) SALTS211001: lowSalts of perfluorooctanoic acid (PFOA).structure
PERFLUOROOCTANOATE
93
2072273Toluenediisocyanates02111: lowThe MAK list populates this group with the following three compounds (none of the CASRN are valid)
structure / other
Toluenediisocyanate
94
2072268Amorphous silica subgroups (MAK list)71101: lowThis compound group has been populated using subgroups listed by MAK Commission of Germany.other
95
2072102CHLORINATED FLAME RETARDANTS (CFRs)317001: lowThis compound group has not yet been assigned a structural definition.functional use
96
2072113Palygorskite fibers (> 5µm in length)12111: lowThis compound group has not yet been assigned a structural definition.other
97
2072120PERFLUORINATED ALKYL SUBSTANCES (PFAS), SHORT-CHAIN48001: lowThis compound group has not yet been assigned a structural definition.other
98
2072164Per and Polyfluorinated Alkyl Substances (PFAS) / Perfluorinated Compounds (PFCs)48804001: lowThis compound group has not yet been assigned a structural definition.
structure / other
99
2072177Xylidine isomers70NULLNULL1: lowThis compound group has not yet been assigned a structural definition.otherXylidine
100
2072229Toluidine salts24101: lowThis compound group has not yet been assigned a structural definition.
three structures: o, m, p toluidine
structureToluidine