COMPOUND GROUP NAME | POPULATION STATUS | DATE POPULATED | DESCRIPTION | PROFILE TYPE | # MEMBERS | # HAZARDS |
---|---|---|---|---|---|---|
Orthoboric acid, sodium salt (group) | complete | 02/27/23 | 1 | 1 | ||
Ozone Depleting Chemicals (ODCs) in Google's MRSL | complete | 02/12/21 | This compound group was populated from the Google Manufacturing Restricted Substances Specification (v1.0) (TTD_3549) |
fixed list | 209 | 2 |
Pentanol isomers (MAK list) | complete | This compound group has not yet been assigned a structural definition. |
fixed list | 9 | 4 | |
Perfluorocarbons (PFCs) in Google's MRSL | complete | 02/12/21 | This compound group was populated from the Google Manufacturing Restricted Substances Specification (v1.0) (TTD_3549) |
fixed list | 9 | 1 |
Perfluorohexanesulfonic acid and its salts (PFHxS) | complete | 02/27/23 | 37 | 18 | ||
Perfluorooctane Sulfonates (PFOS) and PFOS salts in Google's MRSL | complete | 02/12/21 | This compound group was populated from the Google Manufacturing Restricted Substances Specification (v1.0) (TTD_3549) |
fixed list | 29 | 2 |
Petroleum Process Streams | complete | 03/10/23 | EPA's Partially Exempt Petroleum Process Streams list from EPA's Chemical Data Reporting: https://www.epa.gov/chemical-data-reporting/partially-exempt-petroleum-process-streams |
fixed list | 633 | 0 |
PFNA, Perfluorononan-1-oic-acid and its sodium and ammonium salts | complete | 02/27/23 | other | 3 | 3 | |
Phenol, alkylation products (mainly in para position) with C12-rich branched alkyl chains from oligomerisation, covering any individual isomers and/ or combinations thereof (PDDP) | complete | 02/27/23 | full name: Phenol, alkylation products (mainly in para position) with C12-rich branched alkyl chains from oligomerisation, covering any individual isomers and/ or combinations thereof (PDDP) |
3 | 4 | |
PHTHALATES (orthophthalates) | complete | This compound group is defined by a substructure search of PubChem using the SMILES string 'COC(=O)c1[cH][cH][cH][cH]c1C(=O)OC'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 712 | 11 | |
POLYBROMINATED BIPHENYLS (PBBs) | complete | This compound group was populated from the 2016 GADSL list at http://www.gadsl.org/ |
other | 56 | 42 | |
POLYCYCLIC AROMATIC COMPOUNDS (OSHA EXCLUSIONS) | complete | This 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 | 24 | 5 | |
POLYCYCLIC AROMATIC HYDROCARBONS (PAHs) | complete | This list is drawn from:
|
other | 97 | 18 | |
Polyhalogenated alicycles (NAS OFR subclass) | complete | This compound group is populated from a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
20 | 12 | ||
Polyhalogenated aliphatic carboxylate (NAS OFR subclass) | complete | This compound group is populated from a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
6 | 12 | ||
Polyhalogenated aliphatic chains (NAS OFR subclass) | complete | 05/21/19 | This compound group is populated from a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
fixed list | 42 | 12 |
Polyhalogenated benzene alicycles (NAS OFR subclass) | complete | 05/21/19 | This compound group is populated from a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
fixed list | 4 | 12 |
Polyhalogenated benzene aliphatics and functionalized (NAS OFR subclass) | complete | 05/21/19 | This compound group is populated from a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
fixed list | 22 | 12 |
Polyhalogenated benzenes (NAS OFR subclass) | complete | 05/21/19 | This compound group is populated from a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
fixed list | 20 | 12 |
Polyhalogenated bisphenol aliphatics and functionalized (NAS OFR subclass) | complete | 05/21/19 | This compound group is populated from a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
fixed list | 42 | 12 |
Polyhalogenated carbocycles (NAS OFR subclass) | complete | 05/21/19 | This compound group is populated from a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
fixed list | 40 | 12 |
Polyhalogenated diphenyl ethers (NAS OFR subclass) | complete | 05/21/19 | This compound group is populated from a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
fixed list | 19 | 12 |
Polyhalogenated organophosphates (NAS OFR subclass) | complete | 05/21/19 | This compound group is populated from a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
fixed list | 38 | 12 |
Polyhalogenated phenol derivatives (NAS OFR subclass) | complete | 05/21/19 | This compound group is populated from a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
fixed list | 10 | 12 |
Polyhalogenated phenol-aliphatic ethers (NAS OFR subclass) | complete | 05/21/19 | This compound group is populated from a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
fixed list | 14 | 12 |
Polyhalogenated phthalates/benzoates/imides (NAS OFR subclass) | complete | 05/21/19 | This compound group is populated from a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
fixed list | 21 | 12 |
Polyhalogenated triazines (NAS OFR subclass) | complete | 05/21/19 | This compound group is populated from a National Academies of Science report "A Class Approach to Hazard Assessment of Organohalogen Flame Retardants (2019)" available at https://www.nap.edu/catalog/25412/a-class-approach-to-hazard-assessment-of-organohalogen-flame-retardants |
fixed list | 7 | 12 |
POLYISOCYANATE COMPOUNDS | complete | 07/24/17 | This compound group is defined by the SMARTS string ([NX2:2]=[C:1]=[OX1:3].[NX2:2]=[C:1]=[OX1:3]), subtracting any compounds whose name contains "polymer". This SMARTS search unfortunately captures polymers made from isocyanates, because their structures are often represented by individual monomers. For more information on SMARTS, see https://en.wikipedia.org/wiki/Smiles_arbitrary_target_specification. |
structure | 575 | 3 |
QUATERNARY AMMONIUM COMPOUNDS | complete | 07/09/19 | This compound group was populated from a manual search of the Pharos database. |
other | 120 | 1 |
QUINOLINE STRONG ACID SALTS | complete | 07/09/19 | Strong acid salts are listed at https://comptox.epa.gov/dashboard/dsstoxdb/mixture_search?cid=1798 |
fixed list | 6 | 3 |
Reaction products of 1,3,4-thiadiazolidine-2,5-dithione, formaldehyde and 4-heptylphenol, branched and linear (RP-HP) | complete | 02/27/23 | with ≥0.1% w/w 4-heptylphenol, branched and linear (4-HPbl) |
2 | 2 | |
salts of 4,4'-carbonimidoylbis[N,N-dimethylaniline] | complete | The IARC monograph Auramine and Auramine Production in volume 99 lists the following commercially relevant salts: sulfate, nitrate, nitrite, acetates, propionates, bromides, iodides, salts of alkyl-, aralkyl-, or arylsulfonic acids, thiocyanates, and phosphates. CASRN were found for sulfate, nitrate and acetate. https://monographs.iarc.fr/wp-content/uploads/2018/06/mono99-9.pdf |
other | 4 | 5 | |
SELENIUM COMPOUNDS | complete | 08/15/16 | This compound group is defined by the SMILES string '[Se]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 3204 | 9 |
Sesquiterpene lactones (MAK list) | complete | This compound group is populated from the List of Substances with MAK & BAT Values & Categories at http://onlinelibrary.wiley.com/store/10.1002/9783527812127.oth/asset/oth.pdf?v=1&t=jasibday&s=5ca2bde2067c57e83f4b040bd5cd056eda4714b7 |
fixed list | 16 | 1 | |
TAMOXIFEN SALTS | complete | 07/08/19 | The citrate salt appears to be the only commonly available salt |
fixed list | 2 | 1 |
Tetrachlorobenzenes | complete | This compound group has not yet been assigned a structural definition. | other | 5 | 7 | |
Tetraoctyltin compounds | complete | This compound group is defined by the SMILES string '[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])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3]', then subtracting compounds with 2+ octyl ligands. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
0 | 13 | ||
Thallium Compounds | complete | 07/30/18 | This compound group is defined by the SMILES string '[Tl]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
element | 216 | 3 |
Trichlorobenzenes | complete | This compound group has not yet been assigned a structural definition. | other | 4 | 6 | |
tris(branched and linear 4-nonylphenyl) phosphite [with ≥ 0.1% w/w of branched and linear 4-nonylphenol] | complete | 02/27/23 | 0 | 2 | ||
Vanadium and compounds, unless water solubility < 4 g Vanadium/l | complete | 5 | 1 | |||
Vinyl halides | complete | This compound group is composed of four chemicals so no substructure search is needed to populate it |
other | 4 | 2 | |
4-(1,1,3,3-tetramethylbutyl)phenol, ethoxylated (ECHA defined) | in progress | 03/01/23 | ECHA chemical group parent: covering well-defined substances and UVCB substances, polymers and homologues |
51 | 3 | |
4-Nonylphenol, branched and linear (ECHA defined) | in progress | 03/01/23 | ECHA chemical group parent: substances with a linear and/or branched alkyl chain with a carbon number of 9 covalently bound in position 4 to phenol, covering also UVCB- and well-defined substances which include any of the individual isomers or a combination thereof
|
16 | 1 | |
ALUMINUM COMPOUNDS | in progress | This compound group is populated from some of the aluminum compounds in Pharos. The AOEC listing is applied to the specific chemicals listed in their database rather than the entire group. |
element | 101 | 4 | |
Antimony compounds, inorganic | in progress | This compound group is defined by the SMILES string '[Sb]' and subsequently filtered to remove substances containing '[C]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | other | 316 | 25 | |
ARSENIC COMPOUNDS | in progress | This compound group is defined by the SMILES string '[As]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 2328 | 32 | |
ARSENIC COMPOUNDS, INORGANIC | in progress | This compound group is defined by the SMILES string '[As]' and subsequently filtered to remove substances containing '[C]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | other | 453 | 40 | |
Arsenous acid salts | in progress | This compound group has not yet been assigned a structural definition. |
other | 5 | 40 | |
BARIUM COMPOUNDS | in progress | This compound group is defined by the SMILES string '[Ba]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 73 | 5 | |
BENZIDINE SALTS | in progress | This compound group is defined by the SMILES string '[CH]1=[CH][C](=[CH][CH]=C1C2=[CH][CH]=[C]([CH]=[CH]2)[ND1])[ND1]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 39 | 10 | |
BERYLLIUM COMPOUNDS | in progress | This compound group is defined by the SMILES string '[Be]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. This definition is based on the scope of the IARC listing, most recently in monograph 100C: "Synonyms and molecular formulae for beryllium, beryllium–aluminium and beryllium– copper alloys, and certain beryllium compounds are presented in Table 1.1. The list is not exhaustive, nor does it comprise necessarily the most commercially important beryllium-containing substances; rather, it indicates the range of beryllium compounds available." |
element | 140 | 15 | |
Beryllium inorganic compounds | in progress | This compound group is defined by the SMILES string '[Be]' and subsequently filtered to remove substances containing '[C]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | other | 0 | 3 | |
Bitumens | in progress | This compound group is defined based on IARC Monograph 103 at https://monographs.iarc.fr/wp-content/uploads/2018/06/mono103.pdf. "This monograph concerns only bitumens produced by petroleum refining and not naturally ocurring bitumens. Thus the term "bitumens", as used in this volume, refers to the products derived from residues resulting from vacuum distillation of selected petroleum crude oils." |
8 | 1 | ||
Butyltin compounds | in progress | This compound group is populated by its subgroups. |
structure | 211 | 12 | |
CADMIUM COMPOUNDS | in progress | This compound group is defined by the SMILES string '[Cd]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 498 | 43 | |
Cadmium compounds, inorganic | in progress | This compound group is defined by the SMILES string '[Cd]' and subsequently filtered to remove substances containing '[C]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | other | 195 | 46 | |
COBALT COMPOUNDS | in progress | This compound group is defined by the SMILES string '[Co]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 1561 | 21 | |
DIBENZOFURAN COMPOUNDS | in progress | This compound group is defined by the SMILES string 'C1=CC=C2C(=C1)C3=CC=CC=C3O2'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | other | 19 | 0 | |
Dibutyltin compounds | in progress | This compound group is defined by the SMILES string 'CCCC[Sn]CCCC.CCCC[Sn]CCCC'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 83 | 18 | |
Dinitro-ortho-cresol (DNOC), salts | in progress | This compound group is defined by the SMILES string '[CH3]C1=[CH]C(=[CH]C(=C1[OH])[N+](=O)[O-])[N+](=O)[O-]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 0 | 10 | |
Dioctyltin compounds | in progress | This compound group is defined by the SMILES string 'CCCCCCCC[Sn]CCCCCCCC'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 12 | 19 | |
Fluoride compounds, Inorganic | in progress | This compound group is defined by the SMILES string '[F]' and subsequently filtered to remove substances containing '[C]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | other | 46 | 2 | |
Gold compounds, inorganic | in progress | This compound group is defined by the SMILES string '[Au]' and subsequently filtered to remove substances containing '[C]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | other | 0 | 1 | |
Hafnium compounds | in progress | This compound group is defined by the SMILES string '[Hf]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 1 | 1 | |
HEXACHLOROCYCLOHEXANE ISOMERS | in progress | This compound group should include additional isomers. We're starting with 1,2,3,4,5,6 hexaclorocyclohexane isomers, which can be represented by the SMILES string C1(C(C(C(C(C1(Cl)[H])(Cl)[H])(Cl)[H])(Cl)[H])(Cl)[H])(Cl)[H]. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 6 | 6 | |
Hexahydromethylphthalic anhydride (EHCA defined) | in progress | 03/01/23 | ECHA chemical group parent: including cis- and trans- stereo isomeric forms and all possible combinations of the isomers |
4 | 1 | |
Hydroxylamine salts | in progress | This compound group is defined by the SMILES string '[NH3+]O.[*-]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | other | 0 | 1 | |
Inorganic zinc, salts | in progress | This compound group is defined by the SMILES string '[ZnD0]' subtracting '[ZnD0].C' . For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 0 | 2 | |
LEAD COMPOUNDS | in progress | This compound group is defined by the SMILES string '[Pb]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 1143 | 45 | |
LEAD COMPOUNDS, INORGANIC | in progress | This compound group is defined by the SMILES string '[Pb]' and subsequently filtered to remove substances containing '[C]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | other | 408 | 52 | |
LEAD COMPOUNDS, ORGANIC | in progress | This compound group is defined by the SMILES string 'C[Pb]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | structure | 235 | 48 | |
MERCURY COMPOUNDS | in progress | This compound group is defined by the SMILES string '[Hg]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 1451 | 39 | |
MERCURY COMPOUNDS, INORGANIC | in progress | This compound group is defined by the SMILES string '[Hg]' and subsequently filtered to remove substances containing '[C]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | other | 128 | 43 | |
MERCURY COMPOUNDS, ORGANIC | in progress | This compound group is defined by the SMILES string 'C[Hg]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | structure | 966 | 40 | |
Methylarsenic compounds | in progress | This compound group is defined by the SMILES string '[As][CH3]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. This group will contain Monomethylarsonic acid (MMA) C[As](=O)(O)O Dimethylarsinic acid (DMA) C[As](=O)(C)O |
structure | 833 | 35 | |
METHYLHYDRAZINE SALTS | in progress | This compound group is defined by the SMILES string '[CH3][NH][NH2]' or the SMARTS string '[CD1][ND2][ND1]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 1 | 6 | |
Monobutyltin compounds | in progress | This compound group is defined by the SMILES string '[Sn][CH2][CH2][CH2][CH3]' subtracting compounds with 2+ butyl ligands. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 0 | 18 | |
Monometharsonic acids | in progress | This compound group is defined by the SMILES string '[CH3][As](=O)(O)O'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
388 | 35 | ||
Monooctyltin compounds | in progress | This compound group is defined by the SMILES string '[Sn][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3]', then subtracting compounds with 2+ octyl ligands. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 0 | 17 | |
NICKEL COMPOUNDS | in progress | This compound group is defined by the SMILES string '[Ni]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 1126 | 24 | |
Nickel compounds, inorganic | in progress | This compound group is defined by the SMILES string '[Ni]' subtracting '[Ni].C'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 495 | 1 | |
Nickel compounds, oxidic | in progress | This compound group is defined by the SMILES string 'O=[Ni]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. "including nickel oxide, nickel-copper oxide, nickel silicate oxides, and complex oxides" |
structure | 27 | 25 | |
O-PHENYLENEDIAMINE SALTS | in progress | This compound group is defined by the SMILES string '[CH]1=[CH][CH]=[C]([C](=[CH]1)[ND1])[ND1]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 2 | 2 | |
Octyltin compounds | in progress | This compound group is populated by its subgroups. |
other | 19 | 12 | |
ORGANOTIN COMPOUNDS | in progress | This compound group is defined by the SMILES string 'C[Sn]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | element | 918 | 11 | |
Oxazolidine formaldehyde releasers | in progress | 06/03/20 | This compound group was populated by a manual search. |
functional use | 4 | 0 |
Phenyl arsenic compounds | in progress | This compound group is defined by the SMILES string '[As][CH]1=[CH][CH]=C([CH]=[CH]1)'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 0 | 33 | |
PHENYLHYDRAZINE SALTS | in progress | This compound group is defined by the SMILES string 'C1=CC=C(C=C1)NN'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 4 | 5 | |
Phenyltin compounds | in progress | This compound group is defined by the SMILES string 'C1=CC=C(C=C1)[Sn]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | structure | 234 | 13 | |
Rhodium compounds, inorganic | in progress | This compound group is defined by the SMILES string '[Rh]' and subsequently filtered to remove substances containing '[C]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | other | 0 | 1 | |
Salts of aniline | in progress | This compound group is defined by the SMILES string '[CH]1=[CH][CH]=C([CH]=[CH]1)[NH2]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 5 | 13 | |
Selenium compounds, inorganic | in progress | This compound group is defined by the SMILES string '[Se]' and subsequently filtered to remove substances containing '[C]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | other | 0 | 2 | |
Tetraalkyl lead compounds | in progress | This compound group has not yet been assigned a structural definition. One approach would be to use the SMILES string 'C[Pb](*C)(C)C' and remove substances containing 'c[Pb]' (lowercase specifies aromatic). There are technical challenges since PubChem doesn't seem to provide an option to distinguish between aromatic and aliphatic carbons. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
other | 22 | 65 | |
Tetrabutyltin compounds | in progress | This compound group is defined by the SMILES string '[CH3][CH2][CH2][CH2][Sn]([CH2][CH2][CH2][CH3])([CH2][CH2][CH2][CH3])[CH2][CH2][CH2][CH3]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
2 | 14 | ||
TIN COMPOUNDS, INORGANIC | in progress | This compound group is defined by the SMILES string '[Sn]' and subsequently filtered to remove substances containing '[C]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. | other | 2 | 4 | |
Tributyltin compounds | in progress | This compound group is defined by the SMILES string '[CH3][CH2][CH2][CH2][Sn]([CH2][CH2][CH2][CH3])[CH2][CH2][CH2][CH3]' subtracting '[CH3][CH2][CH2][CH2][Sn]([CH2][CH2][CH2][CH3])([CH2][CH2][CH2][CH3])[CH2][CH2][CH2][CH3]'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 122 | 33 | |
triethyltin compounds | in progress | This compound group is defined by the SMILES string '[CH3][CH2][Sn]([CH2][CH3])([CH2][CH3])'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 1 | 11 | |
trimethyltin compounds | in progress | This compound group is defined by the SMILES string '[CH3][Sn]([CH3])([CH3])'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 3 | 16 | |
Trioctyltin compounds | in progress | This compound group is defined by the SMILES string 'CCCCCCCC[Sn](CCCCCCCC)(CCCCCCCC)'. For more information on SMILES, see https://en.wikipedia.org/wiki/Simplified_molecular-input_line-entry_system. |
structure | 2 | 18 |