Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C13H16N2O

Suppliers	Catalog Number
Sigma Aldrich	663786

Database	Data ID
PubChem	11160248

M. W.

216.27894

CAS

119668-50-7

Similarity

N/A

ID: 140402

(2R,5R)-5-benzyl-3-methyl-2-(5-methylfuran-2-yl)imidazolidin-4-one

$$$$ Data

M. F.

C16H18N2O2

Suppliers	Catalog Number
Sigma Aldrich	668842

Database	Data ID
PubChem	16218215

M. W.

270.32632

CAS

877303-84-9

Similarity

N/A

ID: 140403

$$$$ Data

M. F.

C9H13OSi

Suppliers	Catalog Number
Sigma Aldrich	655465

Database	Data ID
PubChem	16217964

M. W.

165.28442

CAS

Similarity

N/A

ID: 140404

$$$$ Data

M. F.

C2H5S

Suppliers	Catalog Number
Sigma Aldrich	668575

Database	Data ID
PubChem	6343

M. W.

61.1261

CAS

Similarity

N/A

ID: 140405

1,2,4-trimethylcyclohexane

$$$$ Data

M. F.

C9H18

Suppliers	Catalog Number
Sigma Aldrich	677345 92376

Database	Data ID
PubChem	91517

M. W.

126.23922

CAS

2234-75-5

Similarity

N/A

ID: 140406

2-bromo-1-(2-bromonaphthalen-1-yl)naphthalene

$$$$ Data

M. F.

C20H12Br2

Suppliers	Catalog Number
Sigma Aldrich	676438
Alfa Aesar	H26987

Database	Data ID
PubChem	619909

M. W.

412.11728

CAS

74866-28-7

Similarity

N/A

ID: 140407

N-methyl-3-nitroaniline

$$$$ Data

M. F.

C7H8N2O2

Suppliers	Catalog Number
Sigma Aldrich	665894
Enamine	EN300-53573

Database	Data ID
PubChem	219622

M. W.

152.15062

CAS

619-26-1

Similarity

N/A

ID: 140408

(6-bromo-2-fluoro-3-propoxyphenyl)boronic acid

$$$$ Data

M. F.

C9H11BBrFO3

Suppliers	Catalog Number
Sigma Aldrich	666882

Database	Data ID
PubChem	16218192

M. W.

276.8952432

CAS

1072951-85-9

Similarity

N/A

ID: 140409

1,3-dimethoxy-2-methyl-1H-imidazol-3-ium; trifluoro[(trifluoromethanesulfonylaza...

$$$$ Data

M. F.

C8H11F6N3O6S2

Suppliers	Catalog Number
Sigma Aldrich	691267

Database	Data ID
PubChem	71310406

M. W.

423.3098592

CAS

1017254-63-5

Similarity

N/A

ID: 140410

1,3-dimethoxy-2-methyl-1H-imidazol-3-ium; hexafluoro-λ⁵-phosphanuide

$$$$ Data

M. F.

C6H11F6N2O2P

Suppliers	Catalog Number
Sigma Aldrich	691151

Database	Data ID
PubChem	71310408

M. W.

288.1279202

CAS

951020-84-1

Similarity

N/A

ID: 140411

1,3-dihydroxy-1H-imidazol-3-ium; trifluoro[(trifluoromethanesulfonylazanidyl)sul...

$$$$ Data

M. F.

C5H5F6N3O6S2

Suppliers	Catalog Number
Sigma Aldrich	691054

Database	Data ID
PubChem	71310409

M. W.

381.2301192

CAS

951021-12-8

Similarity

N/A

ID: 140412

1,3-dimethoxy-1H-imidazol-3-ium; trifluoro[(trifluoromethanesulfonylazanidyl)sul...

$$$$ Data

M. F.

C7H9F6N3O6S2

Suppliers	Catalog Number
Sigma Aldrich	690937

Database	Data ID
PubChem	71310411

M. W.

409.2832792

CAS

951021-03-7

Similarity

N/A

ID: 140413

2H,3H-thieno[3,4-b][1,4]dioxin-2-ylmethanol

$$$$ Data

M. F.

C7H8O3S

Suppliers	Catalog Number
Sigma Aldrich	687553

Database	Data ID
PubChem	16067438

M. W.

172.20162

CAS

146796-02-3

Similarity

N/A

ID: 140414

2-methoxyethyl 2-cyanoacetate

$$$$ Data

M. F.

C6H9NO3

Suppliers	Catalog Number
Sigma Aldrich	411477 691070
Alfa Aesar	B22265

Database	Data ID
PubChem	25106

M. W.

143.14056

CAS

10258-54-5

Similarity

N/A

ID: 140415

butyl 2-cyanoacetate

$$$$ Data

M. F.

C7H11NO2

Suppliers	Catalog Number
Sigma Aldrich	245704 691283
Bide Pharmatech	BD143730

Database	Data ID
PubChem	79571

M. W.

141.16774

CAS

5459-58-5

Similarity

N/A

ID: 140416

prop-2-en-1-yl 2-cyanoacetate

$$$$ Data

M. F.

C6H7NO2

Suppliers	Catalog Number
Sigma Aldrich	360961 691186

Database	Data ID
PubChem	25919

M. W.

125.12528

CAS

13361-32-5

Similarity

N/A

ID: 140417

3-oxobutanamide

$$$$ Data

M. F.

C4H7NO2

Suppliers	Catalog Number
Sigma Aldrich	688789 328812 00405

Database	Data ID
PubChem	80077

M. W.

101.10388

CAS

5977-14-0

Similarity

N/A

ID: 140418

2-methylbutanenitrile

$$$$ Data

M. F.

C5H9N

Suppliers	Catalog Number
Sigma Aldrich	688991
Enamine	EN300-69936
Bide Pharmatech	BD159352

Database	Data ID
PubChem	29339

M. W.

83.13166

CAS

18936-17-9

Similarity

N/A

ID: 140419

CAS_137037-21-9(anhydrous) molecular structure

(2R)-2-[(2R)-pyrrolidin-2-yl]pyrrolidine (2R,3R)-2,3-dihydroxybutanedioic acid t...

$$$$ Data

M. F.

C12H28N2O9

Suppliers	Catalog Number
Sigma Aldrich	688622

Database	Data ID
PubChem	71310413

M. W.

344.35872

CAS

137037-21-9(anhydrous)

Similarity

N/A

ID: 140420

CAS_136937-03-6(anhydrous) molecular structure

(2S)-2-[(2S)-pyrrolidin-2-yl]pyrrolidine (2S,3S)-2,3-dihydroxybutanedioic acid t...

$$$$ Data

M. F.

C12H28N2O9

Suppliers	Catalog Number
Sigma Aldrich	688746

Database	Data ID
PubChem	71310414

M. W.

344.35872

CAS

136937-03-6(anhydrous)

Similarity

N/A

ID: 140421

(butylsulfanyl)(chloro)methanone

$$$$ Data

M. F.

C5H9ClOS

Suppliers	Catalog Number
Sigma Aldrich	672912

Database	Data ID
PubChem	13295035

M. W.

152.64236

CAS

13889-94-6

Similarity

N/A

ID: 140422

1,3-dicyclohexyl-3H-1λ⁵,3-benzodiazol-1-ylium chloride

$$$$ Data

M. F.

C19H27ClN2

Suppliers	Catalog Number
Sigma Aldrich	673404

Database	Data ID
PubChem	16218267

M. W.

318.88408

CAS

1034449-15-4

Similarity

N/A

ID: 140423

1,3-bis(adamantan-1-yl)-3H-1λ⁵,3-benzodiazol-1-ylium chloride

$$$$ Data

M. F.

C27H35ClN2

Suppliers	Catalog Number
Sigma Aldrich	673188

Database	Data ID
PubChem	16218257

M. W.

423.0332

CAS

Similarity

N/A

ID: 140424

1,3-diethoxy-1H-imidazol-3-ium; trifluoro[(trifluoromethanesulfonylazanidyl)sulf...

$$$$ Data

M. F.

C9H13F6N3O6S2

Suppliers	Catalog Number
Sigma Aldrich	688762

Database	Data ID
PubChem	71310415

M. W.

437.3364392

CAS

Similarity

N/A

ID: 140425

bis(rhodiumol); bis({1-[2-(diphenylphosphanyl)naphthalen-1-yl]naphthalen-2-yl}di...

$$$$ Data

M. F.

C88H66O2P4Rh2

Suppliers	Catalog Number
Sigma Aldrich	661007

Database	Data ID
PubChem	11982518

M. W.

1485.170484

CAS

Similarity

N/A

ID: 140426

benzyl (2S)-2-carbamoylpyrrolidine-1-carboxylate

$$$$ Data

M. F.

C13H16N2O3

Suppliers	Catalog Number
Sigma Aldrich	663220
Bide Pharmatech	BD20321

Database	Data ID
PubChem	6950961

M. W.

248.27774

CAS

34079-31-7

Similarity

N/A

ID: 140427

triethyl(methyl)azanium dibutyl phosphate

$$$$ Data

M. F.

C15H36NO4P

Suppliers	Catalog Number
Sigma Aldrich	669849

Database	Data ID
PubChem	16218228

M. W.

325.424401

CAS

947601-90-3

Similarity

N/A

ID: 140428

potassium trifluoro(3-hydroxyphenyl)boranuide

$$$$ Data

M. F.

C6H5BF3KO

Suppliers	Catalog Number
Sigma Aldrich	659746

Database	Data ID
PubChem	23697347

M. W.

200.0078096

CAS

871231-45-7

Similarity

N/A

ID: 140429

2-[3-(trimethylsilyl)prop-2-yn-1-yl]-2,3-dihydro-1H-isoindole-1,3-dione

$$$$ Data

M. F.

C14H15NO2Si

Suppliers	Catalog Number
Sigma Aldrich	699519

Database	Data ID
PubChem	12134170

M. W.

257.3599

CAS

351029-12-4

Similarity

N/A

ID: 140430

(3-chloroprop-1-yn-1-yl)benzene

$$$$ Data

M. F.

C9H7Cl

Suppliers	Catalog Number
Sigma Aldrich	664960

Database	Data ID
PubChem	287343

M. W.

150.60488

CAS

3355-31-5

Similarity

N/A

ID: 140431

chlororutheniumylium; bis(methanidylidyneoxidanium); pentaphenylcyclopenta-2,4-d...

$$$$ Data

M. F.

C37H25ClO2Ru

Suppliers	Catalog Number
Sigma Aldrich	686441 669156

Database	Data ID
PubChem	71310416

M. W.

638.1162

CAS

677736-23-1

Similarity

N/A

ID: 140432

1-(oxan-2-yl)-1H-pyrazole

$$$$ Data

M. F.

C8H12N2O

Suppliers	Catalog Number
Sigma Aldrich	694665
Bide Pharmatech	BD167564
A&J Pharmtech	AJA-O37770

Database	Data ID
PubChem	21866310

M. W.

152.19368

CAS

449758-17-2

Similarity

N/A

ID: 140433

1,3-diethoxy-1H-imidazol-3-ium; hexafluoro-λ⁵-phosphanuide

$$$$ Data

M. F.

C7H13F6N2O2P

Suppliers	Catalog Number
Sigma Aldrich	688649

Database	Data ID
PubChem	71310417

M. W.

302.1545002

CAS

951020-87-4

Similarity

N/A

ID: 140434

1,3-dihydroxy-2-methyl-1H-imidazol-3-ium; trifluoro[(trifluoromethanesulfonylaza...

$$$$ Data

M. F.

C6H7F6N3O6S2

Suppliers	Catalog Number
Sigma Aldrich	691372

Database	Data ID
PubChem	71310418

M. W.

395.2566992

CAS

1215211-93-0

Similarity

N/A

ID: 140435

ethyl 3-(5-bromo-2-fluorophenyl)-3-oxopropanoate

$$$$ Data

M. F.

C11H10BrFO3

Suppliers	Catalog Number
Sigma Aldrich	695750

Database	Data ID
PubChem	45790368

M. W.

289.0977032

CAS

1020058-47-2

Similarity

N/A

ID: 140436

N-tert-butyl-3,5-dimethylaniline

$$$$ Data

M. F.

C12H19N

Suppliers	Catalog Number
Sigma Aldrich	677981

Database	Data ID
PubChem	5242234

M. W.

177.28596

CAS

110993-40-3

Similarity

N/A

ID: 140437

bis(3,5-dimethylphenyl)(2R)-pyrrolidin-2-ylmethanol

$$$$ Data

M. F.

C21H27NO

Suppliers	Catalog Number
Sigma Aldrich	670847

Database	Data ID
PubChem	59628971

M. W.

309.44518

CAS

948595-01-5

Similarity

N/A

ID: 140438

bis(3,5-dimethylphenyl)(2S)-pyrrolidin-2-ylmethanol

$$$$ Data

M. F.

C21H27NO

Suppliers	Catalog Number
Sigma Aldrich	670731

Database	Data ID
PubChem	11616543

M. W.

309.44518

CAS

131180-63-7

Similarity

N/A

ID: 140439

dimethyl(phenyl)silanol

$$$$ Data

M. F.

C8H12OSi

Suppliers	Catalog Number
Sigma Aldrich	667110
Alfa Aesar	H27377

Database	Data ID
PubChem	78929

M. W.

152.26578

CAS

5272-18-4

Similarity

N/A

ID: 140440

dimethyl(thiophen-2-yl)silanol

$$$$ Data

M. F.

C6H10OSSi

Suppliers	Catalog Number
Sigma Aldrich	667099

Database	Data ID
PubChem	11469220

M. W.

158.2935

CAS

197009-90-8

Similarity

N/A

ID: 140441

potassium 2H-1,3-benzodioxol-5-yltrifluoroboranuide

$$$$ Data

M. F.

C7H5BF3KO2

Suppliers	Catalog Number
Sigma Aldrich	659754

Database	Data ID
PubChem	23697348

M. W.

228.0179096

CAS

871231-46-8

Similarity

N/A

ID: 140442

(3-bromo-5-butoxyphenyl)boronic acid

$$$$ Data

M. F.

C10H14BBrO3

Suppliers	Catalog Number
Sigma Aldrich	661961

Database	Data ID
PubChem	16218130

M. W.

272.93136

CAS

1072951-84-8

Similarity

N/A

ID: 140443

1,1,1-trichloro-2-[({[chloro(methylsulfanyl)methylidene]amino}sulfonyl)oxy]ethan...

$$$$ Data

M. F.

C4H5Cl4NO3S2

Suppliers	Catalog Number
Sigma Aldrich	679712

Database	Data ID
PubChem	16218344

M. W.

321.0294

CAS

882739-48-2

Similarity

N/A

ID: 140444

[(2,2,2-trichloroethoxy)sulfonyl]urea

$$$$ Data

M. F.

C3H5Cl3N2O4S

Suppliers	Catalog Number
Sigma Aldrich	680834

Database	Data ID
PubChem	16218363

M. W.

271.5068

CAS

882739-31-3

Similarity

N/A

ID: 140445

2,2,2-trichloroethyl N-[bis(methylsulfanyl)methylidene]sulfamate

$$$$ Data

M. F.

C5H8Cl3NO3S3

Suppliers	Catalog Number
Sigma Aldrich	679879

Database	Data ID
PubChem	16218346

M. W.

332.67592

CAS

882739-46-0

Similarity

N/A

ID: 140446

1-[(tert-butoxy)carbonyl]-2,3-dihydro-1H-indole-7-carboxylic acid

$$$$ Data

M. F.

C14H17NO4

Suppliers	Catalog Number
Sigma Aldrich	681520 685348

Database	Data ID
PubChem	14977845

M. W.

263.28908

CAS

143262-20-8

Similarity

N/A

ID: 140447

2-(4-bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione

$$$$ Data

M. F.

C11H11BBrNO4

Suppliers	Catalog Number
Sigma Aldrich	698083

Database	Data ID
PubChem	44542259

M. W.

311.92434

CAS

943552-04-3

Similarity

N/A

ID: 140448

λ¹-rhodium(1+) ion (2S,5S)-1-{2-[(2S,5S)-2,5-dimethylphospholan-1-yl...

$$$$ Data

M. F.

C27H40F3O3P2RhS

Suppliers	Catalog Number
Sigma Aldrich	675563

Database	Data ID
PubChem	5702642

M. W.

666.5179316

CAS

136705-75-4

Similarity

N/A

ID: 140449

(2S,5S)-1-{2-[(2S,5S)-2,5-bis(propan-2-yl)phospholan-1-yl]ethyl}-2,5-bis(propan-...

$$$$ Data

M. F.

C22H44P2

Suppliers	Catalog Number
Sigma Aldrich	668443
Alfa Aesar	H60017

Database	Data ID
PubChem	11643551

M. W.

370.532282

CAS

136705-63-0

Similarity

N/A

ID: 140450

(2R,5R)-1-{2-[(2R,5R)-2,5-bis(propan-2-yl)phospholan-1-yl]ethyl}-2,5-bis(propan-...

$$$$ Data

M. F.

C22H44P2

Suppliers	Catalog Number
Sigma Aldrich	668435
Alfa Aesar	H60593

Database	Data ID
PubChem	11707202

M. W.

370.532282

CAS

528854-34-4

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified