Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C5H5BrN4O2

Suppliers	Catalog Number
Apollo Scientific	OR11958
Bide Pharmatech	BD102732

Database	Data ID
PubChem	26370200

M. W.

233.0228

CAS

15862-42-7

Similarity

N/A

ID: 75802

6-chloro-2-(methylsulfanyl)-N-(propan-2-yl)pyrimidin-4-amine

$$$$ Data

M. F.

C8H12ClN3S

Suppliers	Catalog Number
Apollo Scientific	OR11959

Database	Data ID
PubChem	26370202

M. W.

217.71898

CAS

Similarity

N/A

ID: 75803

(4-bromo-2-chloro-5-methoxyphenyl)boronic acid

$$$$ Data

M. F.

C7H7BBrClO3

Suppliers	Catalog Number
Apollo Scientific	OR1196

Database	Data ID
PubChem	44118528

M. W.

265.29668

CAS

Similarity

N/A

ID: 75804

6-chloro-N-(3-methoxypropyl)-2-(methylsulfanyl)pyrimidin-4-amine

$$$$ Data

M. F.

C9H14ClN3OS

Suppliers	Catalog Number
Apollo Scientific	OR11960

Database	Data ID
PubChem	26370204

M. W.

247.74496

CAS

951884-56-3

Similarity

N/A

ID: 75805

6-chloro-2-(methylsulfanyl)-N-propylpyrimidin-4-amine

$$$$ Data

M. F.

C8H12ClN3S

Suppliers	Catalog Number
Apollo Scientific	OR11961

Database	Data ID
PubChem	11042192

M. W.

217.71898

CAS

261765-64-4

Similarity

N/A

ID: 75806

1-[(3-bromophenyl)methyl]-4-methyl-2,6,7-trioxabicyclo[2.2.2]octane

$$$$ Data

M. F.

C13H15BrO3

Suppliers	Catalog Number
Apollo Scientific	OR11967

Database	Data ID
PubChem	26370212

M. W.

299.1604

CAS

Similarity

N/A

ID: 75807

2,6-dimethoxyaniline hydrochloride

$$$$ Data

M. F.

C8H12ClNO2

Suppliers	Catalog Number
Apollo Scientific	OR11968
Bide Pharmatech	BD230589

Database	Data ID
PubChem	44118630

M. W.

189.63938

CAS

375397-36-7

Similarity

N/A

ID: 75808

[3-(4-methylpiperidine-1-carbonyl)phenyl]boronic acid

$$$$ Data

M. F.

C13H18BNO3

Suppliers	Catalog Number
Alfa Aesar	H53040
Apollo Scientific	OR1197
A&J Pharmtech	AJA-O32040

Database	Data ID
PubChem	44118529

M. W.

247.09792

CAS

850567-30-5

Similarity

N/A

ID: 75809

2-[(4-bromophenyl)formamido]ethyl 4-bromobenzoate

$$$$ Data

M. F.

C16H13Br2NO3

Suppliers	Catalog Number
Apollo Scientific	OR11970

Database	Data ID
PubChem	26370214

M. W.

427.08732

CAS

Similarity

N/A

ID: 75810

[2-(morpholine-4-sulfonyl)phenyl]boronic acid

$$$$ Data

M. F.

C10H14BNO5S

Suppliers	Catalog Number
Apollo Scientific	OR11971
A&J Pharmtech	AJA-O7436

Database	Data ID
PubChem	44118632

M. W.

271.09786

CAS

957062-65-6

Similarity

N/A

ID: 75811

(1r,4s)-4-pentylcyclohexane-1-carboxylic acid

$$$$ Data

M. F.

C12H22O2

Suppliers	Catalog Number
Apollo Scientific	OR11972

Database	Data ID
PubChem	98882

M. W.

198.30188

CAS

38289-29-1

Similarity

N/A

ID: 75812

(1r,4s)-4-propylcyclohexane-1-carboxylic acid

$$$$ Data

M. F.

C10H18O2

Suppliers	Catalog Number
Apollo Scientific	OR11973

Database	Data ID
PubChem	1490324

M. W.

170.24872

CAS

38289-27-9

Similarity

N/A

ID: 75813

[5-chloro-2-(methoxycarbonyl)phenyl]boronic acid

$$$$ Data

M. F.

C8H8BClO4

Suppliers	Catalog Number
Apollo Scientific	OR11975
Bide Pharmatech	BD231351

Database	Data ID
PubChem	44118633

M. W.

214.41072

CAS

957062-64-5

Similarity

N/A

ID: 75814

[4-(2-nitrophenoxy)phenyl]boronic acid

$$$$ Data

M. F.

C12H10BNO5

Suppliers	Catalog Number
Apollo Scientific	OR11976

Database	Data ID
PubChem	44118634

M. W.

259.0225

CAS

Similarity

N/A

ID: 75815

5-chloro-2-ethoxy-3-nitropyridine

$$$$ Data

M. F.

C7H7ClN2O3

Suppliers	Catalog Number
Apollo Scientific	OR11977
Chemik	CHH00244
A&J Pharmtech	AJA-O25243

Database	Data ID
PubChem	26370216

M. W.

202.59508

CAS

886373-32-6

Similarity

N/A

ID: 75816

5-chloro-2-methoxy-3-nitropyridine

$$$$ Data

M. F.

C6H5ClN2O3

Suppliers	Catalog Number
Apollo Scientific	OR11978
A&J Pharmtech	AJA-O25242

Database	Data ID
PubChem	26370218

M. W.

188.5685

CAS

22353-52-2

Similarity

N/A

ID: 75817

[3-(2-ethoxy-2-oxoethoxy)phenyl]boronic acid

$$$$ Data

M. F.

C10H13BO5

Suppliers	Catalog Number
Apollo Scientific	OR11979

Database	Data ID
PubChem	44118793

M. W.

224.01822

CAS

957062-63-4

Similarity

N/A

ID: 75818

(4-methyl-2-nitrophenyl)boronic acid

$$$$ Data

M. F.

C7H8BNO4

Suppliers	Catalog Number
Alfa Aesar	H53181
Apollo Scientific	OR1198
A&J Pharmtech	AJA-O29571

Database	Data ID
PubChem	352214

M. W.

180.95372

CAS

143697-03-4

Similarity

N/A

ID: 75819

ethyl 1-(triphenylmethyl)-1H-imidazole-4-carboxylate

$$$$ Data

M. F.

C25H22N2O2

Suppliers	Catalog Number
Apollo Scientific	OR11981
Bide Pharmatech	BD230806
A&J Pharmtech	AJA-O30669

Database	Data ID
PubChem	618225

M. W.

382.45438

CAS

53525-60-3

Similarity

N/A

ID: 75820

ethyl 8-bromoimidazo[1,2-a]pyridine-6-carboxylate hydrochloride

$$$$ Data

M. F.

C10H10BrClN2O2

Suppliers	Catalog Number
Apollo Scientific	OR11982

Database	Data ID
PubChem	44118635

M. W.

305.5556

CAS

Similarity

N/A

ID: 75821

3-bromo-N-ethyl-5-methylbenzene-1-sulfonamide

$$$$ Data

M. F.

C9H12BrNO2S

Suppliers	Catalog Number
Apollo Scientific	OR11983
Bide Pharmatech	BD230471

Database	Data ID
PubChem	26370228

M. W.

278.16608

CAS

951885-52-2

Similarity

N/A

ID: 75822

4-bromo-1-butyl-1H-pyrazole

$$$$ Data

M. F.

C7H11BrN2

Suppliers	Catalog Number
Apollo Scientific	OR11984

Database	Data ID
PubChem	26370231

M. W.

203.07964

CAS

Similarity

N/A

ID: 75823

4-bromo-1-(propan-2-yl)-1H-pyrazole

$$$$ Data

M. F.

C6H9BrN2

Suppliers	Catalog Number
Apollo Scientific	OR11985
A&J Pharmtech	AJA-O20616

Database	Data ID
PubChem	22329200

M. W.

189.05306

CAS

313735-62-5

Similarity

N/A

ID: 75824

7-chloro-1-(morpholin-4-yl)phthalazine

$$$$ Data

M. F.

C12H12ClN3O

Suppliers	Catalog Number
Apollo Scientific	OR11987
Bide Pharmatech	BD230428

Database	Data ID
PubChem	26370236

M. W.

249.69618

CAS

951885-55-5

Similarity

N/A

ID: 75825

ethyl 5-(4-chlorophenyl)-1,3-oxazole-4-carboxylate

$$$$ Data

M. F.

C12H10ClNO3

Suppliers	Catalog Number
Apollo Scientific	OR11988
Bide Pharmatech	BD231201
A&J Pharmtech	AJA-O12143 AJA-O12817

Database	Data ID
PubChem	2739479

M. W.

251.6657

CAS

127919-28-2

Similarity

N/A

ID: 75826

6-bromo-8-nitro-[1,2,3,4]tetrazolo[1,5-a]pyridine

$$$$ Data

M. F.

C5H2BrN5O2

Suppliers	Catalog Number
Apollo Scientific	OR11989

Database	Data ID
PubChem	26370237

M. W.

244.00568

CAS

Similarity

N/A

ID: 75827

3-bromobenzamide

$$$$ Data

M. F.

C7H6BrNO

Suppliers	Catalog Number
Apollo Scientific	OR11990
Chemik	CHB54032
Bide Pharmatech	BD85282

Database	Data ID
PubChem	89807

M. W.

200.03264

CAS

22726-00-7

Similarity

N/A

ID: 75828

N-benzyl-3-bromobenzamide

$$$$ Data

M. F.

C14H12BrNO

Suppliers	Catalog Number
Apollo Scientific	OR11991
A&J Pharmtech	AJA-O189

Database	Data ID
PubChem	787882

M. W.

290.15518

CAS

161258-41-9

Similarity

N/A

ID: 75829

1-(3-bromobenzoyl)piperidine

$$$$ Data

M. F.

C12H14BrNO

Suppliers	Catalog Number
ChemBridge	7141888
Apollo Scientific	OR11992

Database	Data ID
PubChem	787098

M. W.

268.14966

CAS

59507-53-8

Similarity

N/A

ID: 75830

3-bromo-N-butylbenzamide

$$$$ Data

M. F.

C11H14BrNO

Suppliers	Catalog Number
Apollo Scientific	OR11993

Database	Data ID
PubChem	2054600

M. W.

256.13896

CAS

Similarity

N/A

ID: 75831

{7-methylimidazo[1,2-a]pyridin-6-yl}boronic acid

$$$$ Data

M. F.

C8H9BN2O2

Suppliers	Catalog Number
Apollo Scientific	OR11994

Database	Data ID
PubChem	44118794

M. W.

175.98026

CAS

957062-57-6

Similarity

N/A

ID: 75832

methyl 5-bromo-4-chloro-2-hydroxybenzoate

$$$$ Data

M. F.

C8H6BrClO3

Suppliers	Catalog Number
Apollo Scientific	OR11997

Database	Data ID
PubChem	26370240

M. W.

265.48844

CAS

Similarity

N/A

ID: 75833

3-bromo-4-methoxyphenyl methanesulfonate

$$$$ Data

M. F.

C8H9BrO4S

Suppliers	Catalog Number
Apollo Scientific	OR11998

Database	Data ID
PubChem	26370242

M. W.

281.12366

CAS

Similarity

N/A

ID: 75834

1-bromo-4,5-dichloro-2-nitrobenzene

$$$$ Data

M. F.

C6H2BrCl2NO2

Suppliers	Catalog Number
Apollo Scientific	OR11999

Database	Data ID
PubChem	13168001

M. W.

270.89558

CAS

93361-94-5

Similarity

N/A

ID: 75835

(3,4-dichlorophenyl)methanamine

$$$$ Data More

M. F.

C7H7Cl2N

Suppliers	Catalog Number
Sigma Aldrich	D58600
MP Biomedicals	05202975
Alfa Aesar	L04899

Database	Data ID
PubChem	1608

M. W.

176.04318

CAS

102-49-8

Similarity

N/A

ID: 75836

4-(aminomethyl)aniline

$$$$ Data

M. F.

C7H10N2

Suppliers	Catalog Number
Sigma Aldrich	368466
Apollo Scientific	OR12000
InterBioScreen	BB_SC-8895

Database	Data ID
PubChem	427814

M. W.

122.1677

CAS

4403-71-8

Similarity

N/A

ID: 75837

4-nitrobenzaldehyde

$$$$ Data More

M. F.

C7H5NO3

Suppliers	Catalog Number
Sigma Aldrich	130176 72800 72802
MP Biomedicals	05212202
Alfa Aesar	A11655

Database	Data ID
Wikipedia	4-Nitrobenzaldehyde
PubChem	541

M. W.

151.1195

CAS

555-16-8

Similarity

N/A

ID: 75838

3-hydroxybenzaldehyde

$$$$ Data More

M. F.

C7H6O2

Suppliers	Catalog Number
Sigma Aldrich	H19808 54580
MP Biomedicals	02157415 05210632
Alfa Aesar	A13541

Database	Data ID
Wikipedia	3-Hydroxybenzaldehyde
PubChem	101

M. W.

122.12134

CAS

100-83-4

Similarity

N/A

ID: 75839

(2R)-2-amino-3-(carbamoylamino)propanoic acid

$$$$ Data

M. F.

C4H9N3O3

Suppliers	Catalog Number
Apollo Scientific	OR1200T
TRC	A511995

Database	Data ID
PubChem	6993021

M. W.

147.13256

CAS

134053-09-1

Similarity

N/A

ID: 75840

(3-methyl-4-propoxyphenyl)boronic acid

$$$$ Data

M. F.

C10H15BO3

Suppliers	Catalog Number
Apollo Scientific	OR1201
A&J Pharmtech	AJA-O29612

Database	Data ID
PubChem	23005369

M. W.

194.0353

CAS

279262-88-3

Similarity

N/A

ID: 75841

2-chlorobenzaldehyde

$$$$ Data More

M. F.

C7H5ClO

Suppliers	Catalog Number
Sigma Aldrich	124974 23470
MP Biomedicals	05203210
Alfa Aesar	A13488

Database	Data ID
PubChem	6996

M. W.

140.567

CAS

89-98-5

Similarity

N/A

ID: 75842

4-chlorobenzaldehyde

$$$$ Data More

M. F.

C7H5ClO

Suppliers	Catalog Number
Sigma Aldrich	112216 23491
Alfa Aesar	A12757
Apollo Scientific	OR12011

Database	Data ID
PubChem	7726

M. W.

140.567

CAS

104-88-1

Similarity

N/A

ID: 75843

5-chloro-2-(dihydroxyboranyl)benzoic acid

$$$$ Data

M. F.

C7H6BClO4

Suppliers	Catalog Number
Alfa Aesar	H53043
Apollo Scientific	OR1202
A&J Pharmtech	AJA-O29609

Database	Data ID
PubChem	23005367

M. W.

200.38414

CAS

850568-07-9

Similarity

N/A

ID: 75844

2-bromo-4-methyl-1H-imidazole

$$$$ Data

M. F.

C4H5BrN2

Suppliers	Catalog Number
Apollo Scientific	OR1205
Chemik	CHH18807
A&J Pharmtech	AJA-O29640

Database	Data ID
PubChem	7204878

M. W.

160.9999

CAS

23328-88-3

Similarity

N/A

ID: 75845

3-(hydroxyimino)-1,2,3,4-tetrahydroquinoxalin-2-one

$$$$ Data

M. F.

C8H7N3O2

Suppliers	Catalog Number
Apollo Scientific	OR12080

Database	Data ID
PubChem	11600763

M. W.

177.16008

CAS

Similarity

N/A

ID: 75846

3-(hydroxyimino)-6,7-dimethyl-1,2,3,4-tetrahydroquinoxalin-2-one

$$$$ Data

M. F.

C10H11N3O2

Suppliers	Catalog Number
Apollo Scientific	OR12085

Database	Data ID
PubChem	18526145

M. W.

205.21324

CAS

Similarity

N/A

ID: 75847

3,5-diaminobenzoic acid

$$$$ Data More

M. F.

C7H8N2O2

Suppliers	Catalog Number
Sigma Aldrich	D12805 32770
MP Biomedicals	05212657 02150828
Alfa Aesar	A14075

Database	Data ID
PubChem	12062

M. W.

152.15062

CAS

535-87-5

Similarity

N/A

ID: 75848

5-(chloromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

$$$$ Data

M. F.

C5H5ClN2O2

Suppliers	Catalog Number
Sigma Aldrich	546003
Alfa Aesar	44639
Apollo Scientific	OR1213

Database	Data ID
PubChem	236125

M. W.

160.5584

CAS

3590-48-5

Similarity

N/A

ID: 75849

5-[(3-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione

$$$$ Data

M. F.

C10H6N2O4S

Suppliers	Catalog Number
Apollo Scientific	OR12153

Database	Data ID
PubChem	1565908

M. W.

250.23064

CAS

24044-52-8

Similarity

N/A

ID: 75850

3-phenyl-1-(piperazin-1-yl)prop-2-en-1-one

$$$$ Data

M. F.

C13H16N2O

Suppliers	Catalog Number
Apollo Scientific	OR1216

Database	Data ID
PubChem	5702792

M. W.

216.27894

CAS

55486-27-6

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