Chembase list of 866358 unique molecular structures

2-bromo-1-[2-chloro-5-(trifluoromethyl)phenyl]ethan-1-one

$$$$ Data

M. F.

C9H5BrClF3O

Suppliers	Catalog Number
Apollo Scientific	PC10425

Database	Data ID
PubChem	2783183

M. W.

301.4876096

CAS

Similarity

N/A

ID: 93752

2-bromo-1-(2,3,6-trifluorophenyl)ethan-1-one

$$$$ Data

M. F.

C8H4BrF3O

Suppliers	Catalog Number
Apollo Scientific	PC10426

Database	Data ID
PubChem	2783184

M. W.

253.0159696

CAS

Similarity

N/A

ID: 93753

2-bromo-1-(2-chloro-6-fluorophenyl)ethan-1-one

$$$$ Data

M. F.

C8H5BrClFO

Suppliers	Catalog Number
Apollo Scientific	PC10428

Database	Data ID
PubChem	2783188

M. W.

251.4801032

CAS

157359-99-4

Similarity

N/A

ID: 93754

2-bromo-1-(3-fluoro-4-methylphenyl)ethan-1-one

$$$$ Data

M. F.

C9H8BrFO

Suppliers	Catalog Number
Apollo Scientific	PC10429

Database	Data ID
PubChem	2783189

M. W.

231.0616232

CAS

505097-09-6

Similarity

N/A

ID: 93755

2-bromo-6-fluorobenzamide

$$$$ Data

M. F.

C7H5BrFNO

Suppliers	Catalog Number
Apollo Scientific	PC10430

Database	Data ID
PubChem	86278

M. W.

218.0231032

CAS

Similarity

N/A

ID: 93756

N-(2,6-dichloro-4-fluorophenyl)acetamide

$$$$ Data

M. F.

C8H6Cl2FNO

Suppliers	Catalog Number
Apollo Scientific	PC10432

Database	Data ID
PubChem	2783204

M. W.

222.0437432

CAS

Similarity

N/A

ID: 93757

5-bromo-1,3-difluoro-2-methylbenzene

$$$$ Data

M. F.

C7H5BrF2

Suppliers	Catalog Number
Apollo Scientific	PC10434

Database	Data ID
PubChem	2783215

M. W.

207.0154064

CAS

179617-08-4

Similarity

N/A

ID: 93758

1,2,4,5-tetrafluoro-3-nitrobenzene

$$$$ Data

M. F.

C6HF4NO2

Suppliers	Catalog Number
Apollo Scientific	PC10437
A&J Pharmtech	AJA-O2157

Database	Data ID
PubChem	567534

M. W.

195.0712528

CAS

6257-03-0

Similarity

N/A

ID: 93759

2-fluoro-1,4-dimethylbenzene

$$$$ Data

M. F.

C8H9F

Suppliers	Catalog Number
Apollo Scientific	PC10440
Bide Pharmatech	BD168303

Database	Data ID
PubChem	12328685

M. W.

124.1554632

CAS

696-01-5

Similarity

N/A

ID: 93760

3-bromo-4-fluorobenzoyl chloride

$$$$ Data

M. F.

C7H3BrClFO

Suppliers	Catalog Number
Apollo Scientific	PC10441
Chemik	CHB50600

Database	Data ID
PubChem	69598

M. W.

237.4535232

CAS

672-75-3

Similarity

N/A

ID: 93761

2-bromo-4,5-difluorobenzoyl chloride

$$$$ Data

M. F.

C7H2BrClF2O

Suppliers	Catalog Number
Apollo Scientific	PC10442

Database	Data ID
PubChem	2783294

M. W.

255.4439864

CAS

Similarity

N/A

ID: 93762

3-bromo-5-fluorobenzoyl chloride

$$$$ Data

M. F.

C7H3BrClFO

Suppliers	Catalog Number
Apollo Scientific	PC10443
Chemik	CHB50700

Database	Data ID
PubChem	2783345

M. W.

237.4535232

CAS

887266-90-2

Similarity

N/A

ID: 93763

2-bromo-4-fluorobenzoyl chloride

$$$$ Data

M. F.

C7H3BrClFO

Suppliers	Catalog Number
Apollo Scientific	PC10444
Chemik	CHB50900

Database	Data ID
PubChem	2783346

M. W.

237.4535232

CAS

95383-36-1

Similarity

N/A

ID: 93764

4-fluoro-3-nitrobenzoyl chloride

$$$$ Data

M. F.

C7H3ClFNO3

Suppliers	Catalog Number
Apollo Scientific	PC10445
Chemik	CHB51200

Database	Data ID
PubChem	2783347

M. W.

203.5550232

CAS

400-94-2

Similarity

N/A

ID: 93765

3-fluoro-4-(trifluoromethoxy)benzoic acid

$$$$ Data More

M. F.

C8H4F4O3

Suppliers	Catalog Number
Alfa Aesar	H26234
Apollo Scientific	PC10447
Chemik	CHB38268

Database	Data ID
PubChem	2783356

M. W.

224.1091728

CAS

886498-89-1

Similarity

N/A

ID: 93766

3-fluoro-4-(trifluoromethoxy)phenol

$$$$ Data

M. F.

C7H4F4O2

Suppliers	Catalog Number
Alfa Aesar	H26392
Apollo Scientific	PC10448

Database	Data ID
PubChem	2783357

M. W.

196.0990728

CAS

177596-38-2

Similarity

N/A

ID: 93767

3-fluoro-4-(trifluoromethoxy)benzaldehyde

$$$$ Data

M. F.

C8H4F4O2

Suppliers	Catalog Number
Alfa Aesar	H26847
Maybridge	MAY00275
Apollo Scientific	PC10449

Database	Data ID
PubChem	2783358

M. W.

208.1097728

CAS

473917-15-6

Similarity

N/A

ID: 93768

3-benzoyl-1-(2,4-difluorophenyl)thiourea

$$$$ Data

M. F.

C14H10F2N2OS

Suppliers	Catalog Number
Apollo Scientific	PC10450

Database	Data ID
PubChem	2783359

M. W.

292.3038064

CAS

Similarity

N/A

ID: 93769

3-benzoyl-1-(2,5-difluorophenyl)thiourea

$$$$ Data

M. F.

C14H10F2N2OS

Suppliers	Catalog Number
Apollo Scientific	PC10451

Database	Data ID
PubChem	2783360

M. W.

292.3038064

CAS

Similarity

N/A

ID: 93770

3-benzoyl-1-(3-fluorophenyl)thiourea

$$$$ Data

M. F.

C14H11FN2OS

Suppliers	Catalog Number
Apollo Scientific	PC10452

Database	Data ID
PubChem	872897

M. W.

274.3133432

CAS

Similarity

N/A

ID: 93771

1-benzoyl-3-[4-(trifluoromethyl)phenyl]thiourea

$$$$ Data

M. F.

C15H11F3N2OS

Suppliers	Catalog Number
Apollo Scientific	PC10453

Database	Data ID
PubChem	702382

M. W.

324.3208496

CAS

Similarity

N/A

ID: 93772

sodium 3-(trifluoromethyl)benzoate

$$$$ Data

M. F.

C8H4F3NaO2

Suppliers	Catalog Number
Apollo Scientific	PC10454
Chemik	CHB38663

Database	Data ID
PubChem	23681918

M. W.

212.1011396

CAS

69226-41-1

Similarity

N/A

ID: 93773

sodium 2-(trifluoromethyl)benzoate

$$$$ Data

M. F.

C8H4F3NaO2

Suppliers	Catalog Number
Apollo Scientific	PC10455

Database	Data ID
PubChem	44717240

M. W.

212.1011396

CAS

2966-44-1

Similarity

N/A

ID: 93774

sodium 2,3,4-trifluorobenzoate

$$$$ Data

M. F.

C7H2F3NaO2

Suppliers	Catalog Number
Apollo Scientific	PC10456
Chemik	CHB38761
A&J Pharmtech	AJA-O4109

Database	Data ID
PubChem	44717241

M. W.

198.0745596

CAS

402955-41-3

Similarity

N/A

ID: 93775

2-methoxy-5-(trifluoromethoxy)benzaldehyde

$$$$ Data

M. F.

C9H7F3O3

Suppliers	Catalog Number
Alfa Aesar	H26105
Apollo Scientific	PC10457
Chemik	CHB18506

Database	Data ID
PubChem	2783364

M. W.

220.1452896

CAS

145742-65-0

Similarity

N/A

ID: 93776

1-benzoyl-3-[4-bromo-2-(trifluoromethyl)phenyl]thiourea

$$$$ Data

M. F.

C15H10BrF3N2OS

Suppliers	Catalog Number
Apollo Scientific	PC10458

Database	Data ID
PubChem	2783391

M. W.

403.2169096

CAS

Similarity

N/A

ID: 93777

4-amino-3-chlorobenzene-1-sulfonyl fluoride

$$$$ Data

M. F.

C6H5ClFNO2S

Suppliers	Catalog Number
Apollo Scientific	PC1049

Database	Data ID
PubChem	282751

M. W.

209.6258032

CAS

1996-51-6

Similarity

N/A

ID: 93778

1,3,5-trifluoro-2-isocyanatobenzene

$$$$ Data

M. F.

C7H2F3NO

Suppliers	Catalog Number
Alfa Aesar	L19349
Apollo Scientific	PC10502

Database	Data ID
PubChem	2783237

M. W.

173.0920896

CAS

50528-80-8

Similarity

N/A

ID: 93779

1,3,5-trifluoro-2-isothiocyanatobenzene

$$$$ Data

M. F.

C7H2F3NS

Suppliers	Catalog Number
Alfa Aesar	L09478
Apollo Scientific	PC10503

Database	Data ID
PubChem	605056

M. W.

189.1576896

CAS

206761-91-3

Similarity

N/A

ID: 93780

[2,6-bis(trifluoromethyl)phenyl]boronic acid

$$$$ Data

M. F.

C8H5BF6O2

Suppliers	Catalog Number
Alfa Aesar	L19952
Apollo Scientific	PC10506
A&J Pharmtech	AJA-O33345

Database	Data ID
PubChem	2783239

M. W.

257.9255192

CAS

681812-07-7

Similarity

N/A

ID: 93781

tert-butyl 6-fluoro-1H-pyrazolo[3,4-b]pyridine-3-carboxylate

$$$$ Data

M. F.

C11H12FN3O2

Suppliers	Catalog Number
Maybridge	MO07504
Apollo Scientific	PC1051

Database	Data ID
PubChem	7127829

M. W.

237.2302832

CAS

155601-71-1

Similarity

N/A

ID: 93782

2-bromo-3,4,5,6-tetrafluorobenzoyl chloride

$$$$ Data

M. F.

C7BrClF4O

Suppliers	Catalog Number
Alfa Aesar	L20151
Apollo Scientific	PC10511

Database	Data ID
PubChem	2783243

M. W.

291.4249128

CAS

151096-42-3

Similarity

N/A

ID: 93783

3-bromo-2,4,5,6-tetrafluorobenzoyl chloride

$$$$ Data

M. F.

C7BrClF4O

Suppliers	Catalog Number
Alfa Aesar	L20152
Apollo Scientific	PC10512

Database	Data ID
PubChem	2783244

M. W.

291.4249128

CAS

292621-46-6

Similarity

N/A

ID: 93784

4-bromo-2,3,5,6-tetrafluorobenzoyl chloride

$$$$ Data

M. F.

C7BrClF4O

Suppliers	Catalog Number
Alfa Aesar	L20153
Apollo Scientific	PC10513

Database	Data ID
PubChem	2783245

M. W.

291.4249128

CAS

122033-54-9

Similarity

N/A

ID: 93785

3-bromo-2,4,5-trifluorobenzoic acid

$$$$ Data

M. F.

C7H2BrF3O2

Suppliers	Catalog Number
Alfa Aesar	L20154
Apollo Scientific	PC10514

Database	Data ID
PubChem	2783246

M. W.

254.9887896

CAS

104222-42-6

Similarity

N/A

ID: 93786

2-[2-bromo-5-(trifluoromethyl)phenyl]acetonitrile

$$$$ Data

M. F.

C9H5BrF3N

Suppliers	Catalog Number
Alfa Aesar	L19591
Apollo Scientific	PC10515

Database	Data ID
PubChem	2783247

M. W.

264.0419096

CAS

732306-26-2

Similarity

N/A

ID: 93787

3-chloro-2,4,5,6-tetrafluorobenzoyl chloride

$$$$ Data

M. F.

C7Cl2F4O

Suppliers	Catalog Number
Alfa Aesar	L20166
Apollo Scientific	PC10517

Database	Data ID
PubChem	2783249

M. W.

246.9739128

CAS

292621-58-0

Similarity

N/A

ID: 93788

4-chloro-2,3,5,6-tetrafluorobenzoyl chloride

$$$$ Data

M. F.

C7Cl2F4O

Suppliers	Catalog Number
Alfa Aesar	L20167
Apollo Scientific	PC10518

Database	Data ID
PubChem	2783250

M. W.

246.9739128

CAS

145572-10-7

Similarity

N/A

ID: 93789

(2-fluoro-5-methoxyphenyl)methanol

$$$$ Data

M. F.

C8H9FO2

Suppliers	Catalog Number
Apollo Scientific	PC1052

Database	Data ID
PubChem	23074410

M. W.

156.1542632

CAS

161643-29-4

Similarity

N/A

ID: 93790

3-chloro-2,5,6-trifluoropyridine

$$$$ Data

M. F.

C5HClF3N

Suppliers	Catalog Number
Alfa Aesar	L19543
Apollo Scientific	PC10520
A&J Pharmtech	AJA-O3922

Database	Data ID
PubChem	2783252

M. W.

167.5163496

CAS

2879-42-7

Similarity

N/A

ID: 93791

2,2-dibromo-1-(4-fluorophenyl)ethan-1-one

$$$$ Data

M. F.

C8H5Br2FO

Suppliers	Catalog Number
Alfa Aesar	L19788
Apollo Scientific	PC10523

Database	Data ID
PubChem	2783255

M. W.

295.9311032

CAS

7542-64-5

Similarity

N/A

ID: 93792

3,5-dichloro-2-fluoropyridine

$$$$ Data More

M. F.

C5H2Cl2FN

Suppliers	Catalog Number
Alfa Aesar	L20039
Apollo Scientific	PC10524
Bide Pharmatech	BD82483

Database	Data ID
PubChem	2783256

M. W.

165.9804832

CAS

823-56-3

Similarity

N/A

ID: 93793

2-(2,5-difluorophenyl)-2-oxoacetaldehyde hydrate

$$$$ Data

M. F.

C8H6F2O3

Suppliers	Catalog Number
Apollo Scientific	PC10525
A&J Pharmtech	AJA-O21737

Database	Data ID
PubChem	2783257

M. W.

188.1282464

CAS

81593-28-4

Similarity

N/A

ID: 93794

2-(2,6-difluorophenyl)-2-oxoacetaldehyde hydrate

$$$$ Data

M. F.

C8H6F2O3

Suppliers	Catalog Number
Apollo Scientific	PC10526
A&J Pharmtech	AJA-O21738

Database	Data ID
PubChem	2783259

M. W.

188.1282464

CAS

Similarity

N/A

ID: 93795

3,5-difluoropyridine-2-carboxamide

$$$$ Data

M. F.

C6H4F2N2O

Suppliers	Catalog Number
Alfa Aesar	L20323
Apollo Scientific	PC10529

Database	Data ID
PubChem	2783261

M. W.

158.1055664

CAS

745784-03-6

Similarity

N/A

ID: 93796

2-(2-fluoro-4-methoxyphenyl)-2-oxoacetaldehyde hydrate

$$$$ Data

M. F.

C9H9FO4

Suppliers	Catalog Number
Apollo Scientific	PC10532
A&J Pharmtech	AJA-O21739

Database	Data ID
PubChem	2783263

M. W.

200.1637632

CAS

Similarity

N/A

ID: 93797

2-(2-fluorophenyl)-2-oxoacetaldehyde hydrate

$$$$ Data

M. F.

C8H7FO3

Suppliers	Catalog Number
Apollo Scientific	PC10534
A&J Pharmtech	AJA-O21740

Database	Data ID
PubChem	2783265

M. W.

170.1377832

CAS

170880-96-3

Similarity

N/A

ID: 93798

(2-fluoroquinolin-3-yl)boronic acid

$$$$ Data More

M. F.

C9H7BFNO2

Suppliers	Catalog Number
Alfa Aesar	L20341
Apollo Scientific	PC10538
Bide Pharmatech	BD231534

Database	Data ID
PubChem	2783271

M. W.

190.9667832

CAS

745784-10-5

Similarity

N/A

ID: 93799

(4-fluoroquinolin-3-yl)boronic acid

$$$$ Data

M. F.

C9H7BFNO2

Suppliers	Catalog Number
Apollo Scientific	PC10539
A&J Pharmtech	AJA-O32578

Database	Data ID
PubChem	2783272

M. W.

190.9667832

CAS

745784-10-5

Similarity

N/A

ID: 93800

(2,3,4,5-tetrafluorophenyl)boronic acid

$$$$ Data More

M. F.

C6H3BF4O2

Suppliers	Catalog Number
Sigma Aldrich	696587
Alfa Aesar	L19824
Apollo Scientific	PC10540

Database	Data ID
PubChem	2783273

M. W.

193.8914328

CAS

179923-32-1

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