Chembase list of 866358 unique molecular structures

1-(2,2-dimethylpropanoyl)-1H,2H,3H-pyrido[2,3-b][1,4]oxazine-6-carboxylic acid

$$$$ Data

M. F.

C13H16N2O4

Suppliers	Catalog Number
Sigma Aldrich	ADE001286
Matrix Scientific	055674
Adesis	8-153

Database	Data ID
PubChem	49761658

M. W.

264.27714

CAS

Similarity

N/A

ID: 51702

4-fluoropyridin-2-amine

$$$$ Data More

M. F.

C5H5FN2

Suppliers	Catalog Number
Matrix Scientific	055675
Apollo Scientific	PC8826
Bide Pharmatech	BD70171

Database	Data ID
PubChem	18327808

M. W.

112.1050032

CAS

944401-77-8

Similarity

N/A

ID: 51703

2-bromo-4-methylpyrimidine

$$$$ Data

M. F.

C5H5BrN2

Suppliers	Catalog Number
Alfa Aesar	H54503
Matrix Scientific	056267
Bide Pharmatech	BD2651

Database	Data ID
PubChem	10942928

M. W.

173.0106

CAS

130645-48-6

Similarity

N/A

ID: 51704

4-bromo-2-fluoro-1-nitrobenzene

$$$$ Data More

M. F.

C6H3BrFNO2

Suppliers	Catalog Number
Sigma Aldrich	680931
ChemBridge	4034754
Matrix Scientific	056268

Database	Data ID
PubChem	2783362

M. W.

219.9959232

CAS

321-23-3

Similarity

N/A

ID: 51705

5-bromopyridine-2,3-diamine

$$$$ Data More

M. F.

C5H6BrN3

Suppliers	Catalog Number
Sigma Aldrich	551899
Alfa Aesar	L19435
Matrix Scientific	056269

Database	Data ID
PubChem	691156

M. W.

188.02524

CAS

38875-53-5

Similarity

N/A

ID: 51706

3,5-dibromo-4-methylpyridine

$$$$ Data

M. F.

C6H5Br2N

Suppliers	Catalog Number
Alfa Aesar	L20037
Matrix Scientific	056271
Bide Pharmatech	BD33300

Database	Data ID
PubChem	819338

M. W.

250.9186

CAS

3430-23-7

Similarity

N/A

ID: 51707

(3,6-dichloropyridin-2-yl)methanol

$$$$ Data

M. F.

C6H5Cl2NO

Suppliers	Catalog Number
Matrix Scientific	056275
Apollo Scientific	OR40359
Enamine	EN300-64991

Database	Data ID
PubChem	20366200

M. W.

178.016

CAS

58804-10-7

Similarity

N/A

ID: 51708

6-chloroimidazo[1,2-b]pyridazine

$$$$ Data More

M. F.

C6H4ClN3

Suppliers	Catalog Number
Matrix Scientific	056285
Apollo Scientific	OR3292
Enamine	EN300-107839

Database	Data ID
PubChem	138828

M. W.

153.56906

CAS

6775-78-6

Similarity

N/A

ID: 51709

2,5-dibromopyrazine

$$$$ Data More

M. F.

C4H2Br2N2

Suppliers	Catalog Number
Matrix Scientific	056286
Apollo Scientific	OR12499
Bide Pharmatech	BD32766

Database	Data ID
PubChem	11470421

M. W.

237.88008

CAS

23229-26-7

Similarity

N/A

ID: 51710

4-bromo-1,3-thiazole

$$$$ Data More

M. F.

C3H2BrNS

Suppliers	Catalog Number
Sigma Aldrich	697907
Matrix Scientific	056287
Apollo Scientific	OR8552

Database	Data ID
PubChem	2763218

M. W.

164.02368

CAS

34259-99-9

Similarity

N/A

ID: 51711

3,6-dichloro-2-(chloromethyl)pyridine

$$$$ Data

M. F.

C6H4Cl3N

Suppliers	Catalog Number
Matrix Scientific	056289
Enamine	EN300-66078

Database	Data ID
PubChem	20366174

M. W.

196.46166

CAS

58803-95-5

Similarity

N/A

ID: 51712

6-bromo-3-chloropyridine-2-carboxylic acid

$$$$ Data

M. F.

C6H3BrClNO2

Suppliers	Catalog Number
Matrix Scientific	056290
A&J Pharmtech	AJA-O36891

Database	Data ID
PubChem	53410265

M. W.

236.45052

CAS

1060815-76-0

Similarity

N/A

ID: 51713

4-chloro-2,3,5,6-tetrafluoropyridine

$$$$ Data

M. F.

C5ClF4N

Suppliers	Catalog Number
Matrix Scientific	056291
Apollo Scientific	PC9690

Database	Data ID
PubChem	12588455

M. W.

185.5068128

CAS

52026-98-9

Similarity

N/A

ID: 51714

3,6-dichloropyridine-2-carbaldehyde

$$$$ Data More

M. F.

C6H3Cl2NO

Suppliers	Catalog Number
Matrix Scientific	056292
Apollo Scientific	OR40362
Bide Pharmatech	BD160481

Database	Data ID
PubChem	10821148

M. W.

176.00012

CAS

343781-53-3

Similarity

N/A

ID: 51715

6-bromo-3-chloropyridine-2-carboxamide

$$$$ Data

M. F.

C6H4BrClN2O

Suppliers	Catalog Number
Matrix Scientific	056294

Database	Data ID
PubChem	53410264

M. W.

235.46576

CAS

1241675-82-0

Similarity

N/A

ID: 51716

(6-bromo-3-chloropyridin-2-yl)methanol

$$$$ Data

M. F.

C6H5BrClNO

Suppliers	Catalog Number
Matrix Scientific	056297

Database	Data ID
PubChem	56832295

M. W.

222.467

CAS

1227563-68-9

Similarity

N/A

ID: 51717

3,6-dichloropyridine-2-carboxamide

$$$$ Data

M. F.

C6H4Cl2N2O

Suppliers	Catalog Number
Matrix Scientific	056298
Apollo Scientific	OR40361

Database	Data ID
PubChem	728681

M. W.

191.01476

CAS

1532-25-8

Similarity

N/A

ID: 51718

methyl 2-amino-3,4-difluorobenzoate

$$$$ Data

M. F.

C8H7F2NO2

Suppliers	Catalog Number
Matrix Scientific	056304

Database	Data ID
PubChem	22621156

M. W.

187.1434864

CAS

Similarity

N/A

ID: 51719

azetidin-3-yl acetate hydrochloride

$$$$ Data

M. F.

C5H10ClNO2

Suppliers	Catalog Number
Matrix Scientific	056307

Database	Data ID
PubChem	21963952

M. W.

151.5914

CAS

118972-95-5

Similarity

N/A

ID: 51720

3-chloro-2-N-methylpyridine-2,5-diamine

$$$$ Data

M. F.

C6H8ClN3

Suppliers	Catalog Number
Matrix Scientific	056308
Key Organics	CE-0739
Apollo Scientific	OR62059

Database	Data ID
PubChem	23112230

M. W.

157.60082

CAS

Similarity

N/A

ID: 51721

4-amino-3-methoxybenzonitrile

$$$$ Data More

M. F.

C8H8N2O

Suppliers	Catalog Number
Matrix Scientific	056309
Key Organics	FE-0741
Chemik	CHB27320

Database	Data ID
PubChem	11815931

M. W.

148.16192

CAS

177476-76-5

Similarity

N/A

ID: 51722

2H-1,3-benzodioxole-5,6-diamine

$$$$ Data

M. F.

C7H8N2O2

Suppliers	Catalog Number
Matrix Scientific	056310
Key Organics	FE-0725
TRC	D416370

Database	Data ID
PubChem	3080788

M. W.

152.15062

CAS

818-15-5

Similarity

N/A

ID: 51723

4-benzyl-1,2-dihydrophthalazin-1-one

$$$$ Data

M. F.

C15H12N2O

Suppliers	Catalog Number
Matrix Scientific	056311
Key Organics	7D-022

Database	Data ID
PubChem	616651

M. W.

236.26858

CAS

32003-14-8

Similarity

N/A

ID: 51724

5-bromo-2-chloropyridine-4-carboxamide

$$$$ Data

M. F.

C6H4BrClN2O

Suppliers	Catalog Number
Matrix Scientific	056312
Key Organics	FE-0230

Database	Data ID
PubChem	49757441

M. W.

235.46576

CAS

Similarity

N/A

ID: 51725

5-bromo-2-chloropyridine-4-carbonitrile

$$$$ Data

M. F.

C6H2BrClN2

Suppliers	Catalog Number
Matrix Scientific	056313
Key Organics	FE-0237

Database	Data ID
PubChem	49757442

M. W.

217.45048

CAS

Similarity

N/A

ID: 51726

4-bromo-1-(3-methoxy-4-nitrophenyl)piperidine

$$$$ Data

M. F.

C12H15BrN2O3

Suppliers	Catalog Number
Matrix Scientific	056314
Key Organics	FE-0735

Database	Data ID
PubChem	49757464

M. W.

315.1631

CAS

Similarity

N/A

ID: 51727

5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-amine

$$$$ Data

M. F.

C12H9BrN4

Suppliers	Catalog Number
Matrix Scientific	056315
Key Organics	FE-0724

Database	Data ID
PubChem	49757462

M. W.

289.13066

CAS

583039-87-6

Similarity

N/A

ID: 51728

3-bromopyridine-2-carbohydrazide

$$$$ Data

M. F.

C6H6BrN3O

Suppliers	Catalog Number
Matrix Scientific	056316
Key Organics	FE-0706

Database	Data ID
PubChem	49757458

M. W.

216.03534

CAS

Similarity

N/A

ID: 51729

(3-bromopyridin-2-yl)methanol

$$$$ Data More

M. F.

C6H6BrNO

Suppliers	Catalog Number
Matrix Scientific	056317
Key Organics	FE-0714
Apollo Scientific	OR60200

Database	Data ID
PubChem	14022521

M. W.

188.02194

CAS

52378-64-0

Similarity

N/A

ID: 51730

2-(2-chlorophenyl)benzaldehyde

$$$$ Data

M. F.

C13H9ClO

Suppliers	Catalog Number
Matrix Scientific	056318
Key Organics	MC-0021
Apollo Scientific	OR7344

Database	Data ID
PubChem	1392375

M. W.

216.66296

CAS

223575-76-6

Similarity

N/A

ID: 51731

4-chloro-2,6-bis(trifluoromethyl)pyridine

$$$$ Data More

M. F.

C7H2ClF6N

Suppliers	Catalog Number
Matrix Scientific	056319
Key Organics	10Z-7005
Apollo Scientific	PC51026

Database	Data ID
PubChem	12945236

M. W.

249.5408992

CAS

81269-96-7

Similarity

N/A

ID: 51732

5-chloro-2-(chloromethyl)pyridine

$$$$ Data

M. F.

C6H5Cl2N

Suppliers	Catalog Number
Matrix Scientific	056320
Key Organics	FE-0751
A&J Pharmtech	AJA-O18554

Database	Data ID
PubChem	14517151

M. W.

162.0166

CAS

10177-24-9

Similarity

N/A

ID: 51733

3-chloro-5,7-dihydroxy-4-methyl-2H-chromen-2-one

$$$$ Data

M. F.

C10H7ClO4

Suppliers	Catalog Number
Matrix Scientific	056321
Key Organics	FE-0021

Database	Data ID
PubChem	5883806

M. W.

226.61318

CAS

22649-27-0

Similarity

N/A

ID: 51734

2-chloro-4,6-bis(morpholin-4-yl)-1,3,5-triazine

$$$$ Data

M. F.

C11H16ClN5O2

Suppliers	Catalog Number
Matrix Scientific	056322
Key Organics	EE-0011

Database	Data ID
PubChem	224967

M. W.

285.73004

CAS

7597-22-0

Similarity

N/A

ID: 51735

2-chloro-6-(furan-2-yl)pyridine-3-carbonitrile

$$$$ Data

M. F.

C10H5ClN2O

Suppliers	Catalog Number
Matrix Scientific	056323
Key Organics	FE-0767

Database	Data ID
PubChem	16740651

M. W.

204.6125

CAS

Similarity

N/A

ID: 51736

3-chloroimidazo[1,2-a]pyrimidine

$$$$ Data

M. F.

C6H4ClN3

Suppliers	Catalog Number
Matrix Scientific	056324
Key Organics	FE-0708

Database	Data ID
PubChem	15179743

M. W.

153.56906

CAS

143696-95-1

Similarity

N/A

ID: 51737

(E)-[(2-chloro-5-nitrophenyl)methylidene](methyl)amine

$$$$ Data

M. F.

C8H7ClN2O2

Suppliers	Catalog Number
Matrix Scientific	056325
Key Organics	DE-0721

Database	Data ID
PubChem	8105850

M. W.

198.60638

CAS

871909-85-2

Similarity

N/A

ID: 51738

[(2-chloro-5-nitrophenyl)methyl](methyl)amine

$$$$ Data

M. F.

C8H9ClN2O2

Suppliers	Catalog Number
Matrix Scientific	056326
Key Organics	FE-0742

Database	Data ID
PubChem	7131571

M. W.

200.62226

CAS

Similarity

N/A

ID: 51739

6-chloro-2-phenylpyrimidine-4-carbonyl chloride

$$$$ Data

M. F.

C11H6Cl2N2O

Suppliers	Catalog Number
Matrix Scientific	056327
Key Organics	MD-0052

Database	Data ID
PubChem	49757443

M. W.

253.08414

CAS

1148122-15-9

Similarity

N/A

ID: 51740

5-chloropyridine-2-carbohydrazide

$$$$ Data

M. F.

C6H6ClN3O

Suppliers	Catalog Number
Matrix Scientific	056328
Key Organics	FE-0732

Database	Data ID
PubChem	18987675

M. W.

171.58434

CAS

145835-01-4

Similarity

N/A

ID: 51741

2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]acetonitrile

$$$$ Data More

M. F.

C8H4ClF3N2

Suppliers	Catalog Number
Matrix Scientific	056329
Key Organics	FE-0718
Enamine	EN300-25462

Database	Data ID
PubChem	16227272

M. W.

220.5789696

CAS

157764-10-8

Similarity

N/A

ID: 51742

(2Z)-2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(dimethylamino)prop-2-enenit...

$$$$ Data

M. F.

C11H9ClF3N3

Suppliers	Catalog Number
Matrix Scientific	056330
Key Organics	FE-0762

Database	Data ID
PubChem	49757469

M. W.

275.6574696

CAS

Similarity

N/A

ID: 51743

4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazol-3-amine

$$$$ Data

M. F.

C9H6ClF3N4

Suppliers	Catalog Number
Matrix Scientific	056331
Key Organics	FE-0765

Database	Data ID
PubChem	49757444

M. W.

262.6189496

CAS

Similarity

N/A

ID: 51744

1-cyanocyclopropane-1-carbohydrazide

$$$$ Data

M. F.

C5H7N3O

Suppliers	Catalog Number
Matrix Scientific	056332
Key Organics	FE-0728

Database	Data ID
PubChem	4650293

M. W.

125.12858

CAS

401825-00-1

Similarity

N/A

ID: 51745

6-(cyanomethyl)pyridine-3-carbonitrile

$$$$ Data

M. F.

C8H5N3

Suppliers	Catalog Number
Matrix Scientific	056333
Key Organics	FE-0726

Database	Data ID
PubChem	49757463

M. W.

143.1454

CAS

Similarity

N/A

ID: 51746

2,4-dichloroquinazoline

$$$$ Data More

M. F.

C8H4Cl2N2

Suppliers	Catalog Number
Matrix Scientific	056334
Key Organics	DE-0057
Enamine	EN300-63947

Database	Data ID
PubChem	252886

M. W.

199.03676

CAS

607-68-1

Similarity

N/A

ID: 51747

N-(3,4-dimethoxyphenyl)acetamide

$$$$ Data

M. F.

C10H13NO3

Suppliers	Catalog Number
Matrix Scientific	056335
Key Organics	FE-0764

Database	Data ID
PubChem	244160

M. W.

195.21512

CAS

881-70-9

Similarity

N/A

ID: 51748

(2E)-3-(dimethylamino)-1-(naphthalen-2-yl)prop-2-en-1-one

$$$$ Data

M. F.

C15H15NO

Suppliers	Catalog Number
Matrix Scientific	056336
Key Organics	7L-003
InterBioScreen	BB_SC-5680

Database	Data ID
PubChem	5375885

M. W.

225.2857

CAS

138716-23-1

Similarity

N/A

ID: 51749

3,3-dimethylpyrrolidin-2-one

$$$$ Data

M. F.

C6H11NO

Suppliers	Catalog Number
ChemBridge	4035085
Matrix Scientific	056337
Key Organics	FE-0712

Database	Data ID
PubChem	5114908

M. W.

113.15764

CAS

4831-43-0

Similarity

N/A

ID: 51750

12',14'-dioxa-2',8'-diazaspiro[piperidine-4,7'-tetracyclo[7.7.0.0?,?.0??,??]hexa...

$$$$ Data

M. F.

C16H18ClN3O2

Suppliers	Catalog Number
Matrix Scientific	056338
Key Organics	FE-0748

Database	Data ID
PubChem	49757467

M. W.

319.78602

CAS

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