Chembase list of 866358 unique molecular structures

$$$$ Data More

M. F.

C9H6BrN

Suppliers	Catalog Number
Sigma Aldrich	594261
Alfa Aesar	L19632
Matrix Scientific	069778

Database	Data ID
PubChem	736487

M. W.

208.05464

CAS

34784-04-8

Similarity

N/A

ID: 64452

2-chloro-5-methylpyrimidin-4-amine

$$$$ Data More

M. F.

C5H6ClN3

Suppliers	Catalog Number
Matrix Scientific	069779
Apollo Scientific	OR61116
TRC	A603470

Database	Data ID
PubChem	4302175

M. W.

143.57424

CAS

14394-70-8

Similarity

N/A

ID: 64453

imidazo[1,2-a]pyridin-3-ylmethanol hydrochloride

$$$$ Data

M. F.

C8H9ClN2O

Suppliers	Catalog Number
Matrix Scientific	069780

Database	Data ID
PubChem	22938849

M. W.

184.62286

CAS

30489-62-4

Similarity

N/A

ID: 64454

3-(chloromethyl)imidazo[1,2-a]pyridine

$$$$ Data

M. F.

C8H7ClN2

Suppliers	Catalog Number
Matrix Scientific	069781

Database	Data ID
PubChem	4831266

M. W.

166.60758

CAS

113855-44-0

Similarity

N/A

ID: 64455

2-(chloromethyl)imidazo[1,2-a]pyridine hydrochloride

$$$$ Data

M. F.

C8H8Cl2N2

Suppliers	Catalog Number
Matrix Scientific	069782
Apollo Scientific	OR1013
Enamine	EN300-11109

Database	Data ID
PubChem	2737445

M. W.

203.06852

CAS

112230-20-3

Similarity

N/A

ID: 64456

3-methylimidazo[1,2-a]pyridin-5-amine

$$$$ Data

M. F.

C8H9N3

Suppliers	Catalog Number
Matrix Scientific	069783
Apollo Scientific	OR61117

Database	Data ID
PubChem	12637727

M. W.

147.17716

CAS

74420-50-1

Similarity

N/A

ID: 64457

1,3-dimethyl-5-(tributylstannyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

$$$$ Data

M. F.

C18H34N2O2Sn

Suppliers	Catalog Number
Matrix Scientific	069784

Database	Data ID
PubChem	44118240

M. W.

429.17576

CAS

103408-63-5

Similarity

N/A

ID: 64458

2-bromocyclohex-2-en-1-one

$$$$ Data

M. F.

C6H7BrO

Suppliers	Catalog Number
Matrix Scientific	069785

Database	Data ID
PubChem	10965037

M. W.

175.02318

CAS

50870-61-6

Similarity

N/A

ID: 64459

2-bromocyclopent-2-en-1-one

$$$$ Data

M. F.

C5H5BrO

Suppliers	Catalog Number
Matrix Scientific	069786

Database	Data ID
PubChem	3014641

M. W.

160.9966

CAS

10481-34-2

Similarity

N/A

ID: 64460

1-methyl-1H-indazole-5-carbaldehyde

$$$$ Data

M. F.

C9H8N2O

Suppliers	Catalog Number
Matrix Scientific	069787
Apollo Scientific	OR30712

Database	Data ID
PubChem	37818594

M. W.

160.17262

CAS

872607-89-1

Similarity

N/A

ID: 64461

1-methyl-1H-indazole-6-carbaldehyde

$$$$ Data

M. F.

C9H8N2O

Suppliers	Catalog Number
Matrix Scientific	069788
Apollo Scientific	OR30713

Database	Data ID
PubChem	37818596

M. W.

160.17262

CAS

1092351-51-3

Similarity

N/A

ID: 64462

6-chloro-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde

$$$$ Data

M. F.

C7H7ClN2O3

Suppliers	Catalog Number
Matrix Scientific	069789

Database	Data ID
PubChem	319971

M. W.

202.59508

CAS

35824-85-2

Similarity

N/A

ID: 64463

4-bromo-2,5-dihydrofuran-2-one

$$$$ Data

M. F.

C4H3BrO2

Suppliers	Catalog Number
Matrix Scientific	069790

Database	Data ID
PubChem	11789536

M. W.

162.96942

CAS

56634-50-5

Similarity

N/A

ID: 64464

methyl (2Z)-3-bromoprop-2-enoate

$$$$ Data

M. F.

C4H5BrO2

Suppliers	Catalog Number
Matrix Scientific	069791

Database	Data ID
PubChem	5371951

M. W.

164.9853

CAS

6214-22-8

Similarity

N/A

ID: 64465

methyl 2-bromo-3-methylbut-2-enoate

$$$$ Data

M. F.

C6H9BrO2

Suppliers	Catalog Number
Matrix Scientific	069792
TRC	B685290

Database	Data ID
PubChem	641210

M. W.

193.03846

CAS

51263-40-2

Similarity

N/A

ID: 64466

1H-indazole-4-carboxylic acid

$$$$ Data More

M. F.

C8H6N2O2

Suppliers	Catalog Number
Sigma Aldrich	729752
Alfa Aesar	H34115
Matrix Scientific	069793

Database	Data ID
PubChem	21982323

M. W.

162.14544

CAS

677306-38-6

Similarity

N/A

ID: 64467

1H-indazole-7-carboxylic acid

$$$$ Data More

M. F.

C8H6N2O2

Suppliers	Catalog Number
Alfa Aesar	H32463
Matrix Scientific	069794
Apollo Scientific	OR60064

Database	Data ID
PubChem	12639205

M. W.

162.14544

CAS

677304-69-7

Similarity

N/A

ID: 64468

3,5-difluoro-2-(tributylstannyl)pyridine

$$$$ Data

M. F.

C17H29F2NSn

Suppliers	Catalog Number
Matrix Scientific	069795

Database	Data ID
PubChem	22273593

M. W.

404.1166664

CAS

765917-25-7

Similarity

N/A

ID: 64469

[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol

$$$$ Data

M. F.

C13H19BO3

Suppliers	Catalog Number
Sigma Aldrich	702927
Alfa Aesar	H51123
Matrix Scientific	069796

Database	Data ID
PubChem	11402050

M. W.

234.09916

CAS

302348-51-2

Similarity

N/A

ID: 64470

2,5-dibromo-4-methyl-1,3-thiazole

$$$$ Data

M. F.

C4H3Br2NS

Suppliers	Catalog Number
Matrix Scientific	069797
Apollo Scientific	OR17553

Database	Data ID
PubChem	22056402

M. W.

256.94632

CAS

79247-78-2

Similarity

N/A

ID: 64471

methyl 5-bromoimidazo[1,2-a]pyridine-2-carboxylate

$$$$ Data

M. F.

C9H7BrN2O2

Suppliers	Catalog Number
Matrix Scientific	069798

Database	Data ID
PubChem	37818625

M. W.

255.06808

CAS

1092351-65-9

Similarity

N/A

ID: 64472

methyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate

$$$$ Data

M. F.

C9H7BrN2O2

Suppliers	Catalog Number
ChemBridge	4043392
Matrix Scientific	069799

Database	Data ID
PubChem	16210769

M. W.

255.06808

CAS

354548-08-6

Similarity

N/A

ID: 64473

ethyl 3-iodo-1-methyl-1H-indazole-5-carboxylate

$$$$ Data

M. F.

C11H11IN2O2

Suppliers	Catalog Number
Matrix Scientific	069800
Apollo Scientific	OR30708

Database	Data ID
PubChem	37818627

M. W.

330.12171

CAS

1092351-68-2

Similarity

N/A

ID: 64474

5-bromo-2-(tert-butyldimethylsilyl)-1,3-thiazole

$$$$ Data

M. F.

C9H16BrNSSi

Suppliers	Catalog Number
Matrix Scientific	069801

Database	Data ID
PubChem	44118241

M. W.

278.28454

CAS

1092351-70-6

Similarity

N/A

ID: 64475

(3-formyl-4-methoxyphenyl)boronic acid

$$$$ Data More

M. F.

C8H9BO4

Suppliers	Catalog Number
Sigma Aldrich	512869
Alfa Aesar	L17850
Matrix Scientific	069802

Database	Data ID
PubChem	2759225

M. W.

179.96566

CAS

121124-97-8

Similarity

N/A

ID: 64476

methyl 2-azidoacetate

$$$$ Data

M. F.

C3H5N3O2

Suppliers	Catalog Number
Sigma Aldrich	738859
Matrix Scientific	069803

Database	Data ID
PubChem	4020482

M. W.

115.0907

CAS

1816-92-8

Similarity

N/A

ID: 64477

5-(trimethylsilyl)-1,3-thiazole

$$$$ Data

M. F.

C6H11NSSi

Suppliers	Catalog Number
Matrix Scientific	069804
A&J Pharmtech	AJA-O9375

Database	Data ID
PubChem	2760867

M. W.

157.30874

CAS

79265-36-4

Similarity

N/A

ID: 64478

tert-butyl octahydropyrrolo[3,4-c]pyrrole-2-carboxylate

$$$$ Data More

M. F.

C11H20N2O2

Suppliers	Catalog Number
Matrix Scientific	069805
Key Organics	KG-0017
Enamine	EN300-50906

Database	Data ID
PubChem	4142526

M. W.

212.2887

CAS

141449-85-6

Similarity

N/A

ID: 64479

thieno[2,3-b]pyrazine-6-carbaldehyde

$$$$ Data

M. F.

C7H4N2OS

Suppliers	Catalog Number
Matrix Scientific	069806
Maybridge	CC31504
Apollo Scientific	OR9792

Database	Data ID
PubChem	7537492

M. W.

164.18446

CAS

857283-69-3

Similarity

N/A

ID: 64480

5-(1,3,2-dioxaborinan-2-yl)-3-methylthiophene-2-carbaldehyde

$$$$ Data

M. F.

C9H11BO3S

Suppliers	Catalog Number
Alfa Aesar	L17779
Matrix Scientific	069807

Database	Data ID
PubChem	10330728

M. W.

210.05784

CAS

374537-98-1

Similarity

N/A

ID: 64481

4-bromo-2,3-dihydro-1H-isoindole

$$$$ Data

M. F.

C8H8BrN

Suppliers	Catalog Number
Matrix Scientific	069808
Enamine	EN300-98932
Bide Pharmatech	BD218708

Database	Data ID
PubChem	14795870

M. W.

198.05982

CAS

127168-81-4

Similarity

N/A

ID: 64482

methyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate

$$$$ Data

M. F.

C6H8N2O2S

Suppliers	Catalog Number
Matrix Scientific	069809
Apollo Scientific	OR40302
Bide Pharmatech	BD70501

Database	Data ID
PubChem	1132801

M. W.

172.20492

CAS

63257-03-4

Similarity

N/A

ID: 64483

methyl 2-bromo-5-methyl-1,3-thiazole-4-carboxylate

$$$$ Data

M. F.

C6H6BrNO2S

Suppliers	Catalog Number
Matrix Scientific	069810
Apollo Scientific	OR40094
Bide Pharmatech	BD229916

Database	Data ID
PubChem	22493969

M. W.

236.08634

CAS

56355-61-4

Similarity

N/A

ID: 64484

methyl 5-methyl-1,3-thiazole-4-carboxylate

$$$$ Data

M. F.

C6H7NO2S

Suppliers	Catalog Number
Matrix Scientific	069811

Database	Data ID
PubChem	37818647

M. W.

157.19028

CAS

68751-05-3

Similarity

N/A

ID: 64485

5-methyl-1,3-thiazole-4-carboxylic acid

$$$$ Data More

M. F.

C5H5NO2S

Suppliers	Catalog Number
ChemBridge	4043076
Matrix Scientific	069812
Apollo Scientific	OR40207

Database	Data ID
PubChem	14109320

M. W.

143.1637

CAS

120237-76-5

Similarity

N/A

ID: 64486

2-amino-1,3-thiazole-5-carboxylic acid

$$$$ Data More

M. F.

C4H4N2O2S

Suppliers	Catalog Number
Matrix Scientific	069813
Apollo Scientific	OR9398
Bide Pharmatech	BD28636

Database	Data ID
PubChem	315243

M. W.

144.15176

CAS

40283-46-3

Similarity

N/A

ID: 64487

5-(tributylstannyl)-2-(trifluoromethyl)pyridine

$$$$ Data

M. F.

C18H30F3NSn

Suppliers	Catalog Number
Matrix Scientific	069814

Database	Data ID
PubChem	17959541

M. W.

436.1337096

CAS

1204580-76-6

Similarity

N/A

ID: 64488

1H-pyrrolo[2,3-b]pyridin-7-ium-7-olate

$$$$ Data More

M. F.

C7H6N2O

Suppliers	Catalog Number
Matrix Scientific	069815
Apollo Scientific	OR54331
TRC	P998600

Database	Data ID
PubChem	324215

M. W.

134.13534

CAS

55052-24-9

Similarity

N/A

ID: 64489

1,4-dibromo-2,5-dimethoxybenzene

$$$$ Data More

M. F.

C8H8Br2O2

Suppliers	Catalog Number
Sigma Aldrich	461105
Alfa Aesar	A19858
Matrix Scientific	069816

Database	Data ID
PubChem	231240

M. W.

295.95592

CAS

2674-34-2

Similarity

N/A

ID: 64490

(4-methylpyridin-3-yl)boronic acid

$$$$ Data More

M. F.

C6H8BNO2

Suppliers	Catalog Number
Matrix Scientific	069817
Apollo Scientific	OR6103
Chemik	CHH00199

Database	Data ID
PubChem	2762711

M. W.

136.94422

CAS

148546-82-1

Similarity

N/A

ID: 64491

tributyl(prop-1-yn-1-yl)stannane

$$$$ Data

M. F.

C15H30Sn

Suppliers	Catalog Number
Sigma Aldrich	499862
Alfa Aesar	L20201
Matrix Scientific	069818

Database	Data ID
PubChem	2733165

M. W.

329.0997

CAS

64099-82-7

Similarity

N/A

ID: 64492

1,2-dimethyl-5-(tributylstannyl)-1H-imidazole

$$$$ Data

M. F.

C17H34N2Sn

Suppliers	Catalog Number
Matrix Scientific	069819

Database	Data ID
PubChem	12847211

M. W.

385.16626

CAS

86051-75-4

Similarity

N/A

ID: 64493

4-methylpyridazine

$$$$ Data More

M. F.

C5H6N2

Suppliers	Catalog Number
Sigma Aldrich	297771
Alfa Aesar	L09749
Matrix Scientific	069820

Database	Data ID
PubChem	136882

M. W.

94.11454

CAS

1120-88-3

Similarity

N/A

ID: 64494

pyridazin-4-amine

$$$$ Data More

M. F.

C4H5N3

Suppliers	Catalog Number
Matrix Scientific	069821
Apollo Scientific	OR60046
Chemik	CHH219309

Database	Data ID
PubChem	298492

M. W.

95.1026

CAS

20744-39-2

Similarity

N/A

ID: 64495

(5-chloropyridin-3-yl)boronic acid

$$$$ Data More

M. F.

C5H5BClNO2

Suppliers	Catalog Number
Sigma Aldrich	721034
Alfa Aesar	H27756
Matrix Scientific	069822

Database	Data ID
PubChem	20111877

M. W.

157.3627

CAS

872041-85-5

Similarity

N/A

ID: 64496

(2,6-difluoropyridin-3-yl)boronic acid

$$$$ Data More

M. F.

C5H4BF2NO2

Suppliers	Catalog Number
Alfa Aesar	H27509
Matrix Scientific	069823
Apollo Scientific	PC7582

Database	Data ID
PubChem	2762713

M. W.

158.8985664

CAS

1072952-27-2

Similarity

N/A

ID: 64497

(6-fluoro-4-methylpyridin-3-yl)boronic acid

$$$$ Data More

M. F.

C6H7BFNO2

Suppliers	Catalog Number
Matrix Scientific	069824
Apollo Scientific	PC3614
Bide Pharmatech	BD161503

Database	Data ID
PubChem	44118243

M. W.

154.9346832

CAS

1072944-18-3

Similarity

N/A

ID: 64498

4-fluoro-1-methyl-1H-indazol-3-amine

$$$$ Data

M. F.

C8H8FN3

Suppliers	Catalog Number
Matrix Scientific	069825
Apollo Scientific	PC5685

Database	Data ID
PubChem	15239648

M. W.

165.1676232

CAS

162502-44-5

Similarity

N/A

ID: 64499

5-fluoro-1-methyl-1H-indazol-3-amine

$$$$ Data

M. F.

C8H8FN3

Suppliers	Catalog Number
Matrix Scientific	069826
Apollo Scientific	PC5686

Database	Data ID
PubChem	15239649

M. W.

165.1676232

CAS

171809-12-4

Similarity

N/A

ID: 64500

6-fluoro-1-methyl-1H-indazol-3-amine

$$$$ Data

M. F.

C8H8FN3

Suppliers	Catalog Number
Matrix Scientific	069827
Apollo Scientific	PC5691

Database	Data ID
PubChem	15239650

M. W.

165.1676232

CAS

171809-13-5

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