Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C5H5ClFN

Suppliers	Catalog Number
Matrix Scientific	069226
Apollo Scientific	PC1406 PC2642
Bide Pharmatech	BD33511

Database	Data ID
PubChem	24820326

M. W.

133.5513032

CAS

39160-31-1

Similarity

N/A

ID: 63902

tert-butyl N-methylcarbamate

$$$$ Data

M. F.

C6H13NO2

Suppliers	Catalog Number
Matrix Scientific	069227
Apollo Scientific	OR61100
Enamine	EN300-45521

Database	Data ID
PubChem	527635

M. W.

131.17292

CAS

16066-84-5

Similarity

N/A

ID: 63903

4-chloro-5-fluoropyrimidine

$$$$ Data More

M. F.

C4H2ClFN2

Suppliers	Catalog Number
Matrix Scientific	069228
Apollo Scientific	PC4448
Bide Pharmatech	BD149842

Database	Data ID
PubChem	17893713

M. W.

132.5234832

CAS

347418-42-2

Similarity

N/A

ID: 63904

methyl 2-amino-1,3-oxazole-4-carboxylate

$$$$ Data

M. F.

C5H6N2O3

Suppliers	Catalog Number
Matrix Scientific	069229
Bide Pharmatech	BD209409

Database	Data ID
PubChem	26599250

M. W.

142.11274

CAS

1000576-38-4

Similarity

N/A

ID: 63905

5-bromo-3-methylimidazo[1,2-a]pyridine

$$$$ Data

M. F.

C8H7BrN2

Suppliers	Catalog Number
Matrix Scientific	069230

Database	Data ID
PubChem	12637722

M. W.

211.05858

CAS

4926-54-9

Similarity

N/A

ID: 63906

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

$$$$ Data

M. F.

C8H6BrClN2

Suppliers	Catalog Number
Matrix Scientific	069231

Database	Data ID
PubChem	37818567

M. W.

245.50364

CAS

885275-97-8

Similarity

N/A

ID: 63907

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

$$$$ Data

M. F.

C8H6BrClN2

Suppliers	Catalog Number
Matrix Scientific	069232
Apollo Scientific	OR60134

Database	Data ID
PubChem	11622894

M. W.

245.50364

CAS

136117-72-1

Similarity

N/A

ID: 63908

5-bromo-2-methylimidazo[1,2-a]pyridine

$$$$ Data

M. F.

C8H7BrN2

Suppliers	Catalog Number
ChemBridge	4040733
Matrix Scientific	069233
Apollo Scientific	OR18106

Database	Data ID
PubChem	12637728

M. W.

211.05858

CAS

74420-51-2

Similarity

N/A

ID: 63909

6-chloro-2-(chloromethyl)imidazo[1,2-b]pyridazine

$$$$ Data

M. F.

C7H5Cl2N3

Suppliers	Catalog Number
Matrix Scientific	069234
Maybridge	MO00884

Database	Data ID
PubChem	10965562

M. W.

202.0407

CAS

154578-23-1

Similarity

N/A

ID: 63910

8-chloro-2-ethylimidazo[1,2-a]pyrazine

$$$$ Data

M. F.

C8H8ClN3

Suppliers	Catalog Number
Matrix Scientific	069235

Database	Data ID
PubChem	12074079

M. W.

181.62222

CAS

391954-17-9

Similarity

N/A

ID: 63911

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

$$$$ Data

M. F.

C8H8BrN3

Suppliers	Catalog Number
Matrix Scientific	069236
Apollo Scientific	OR43549

Database	Data ID
PubChem	37818575

M. W.

226.07322

CAS

1092351-47-7

Similarity

N/A

ID: 63912

[2-(4-fluorophenyl)ethenyl]boronic acid

$$$$ Data More

M. F.

C8H8BFO2

Suppliers	Catalog Number
Sigma Aldrich	518972
Matrix Scientific	069237
Apollo Scientific	PC8529

Database	Data ID
PubChem	5706776

M. W.

165.9573232

CAS

214907-24-1

Similarity

N/A

ID: 63913

3,5-dibromo-1-methyl-1H-indazole

$$$$ Data

M. F.

C8H6Br2N2

Suppliers	Catalog Number
Matrix Scientific	069238
Apollo Scientific	OR43566

Database	Data ID
PubChem	23279540

M. W.

289.95464

CAS

52088-11-6

Similarity

N/A

ID: 63914

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

$$$$ Data

M. F.

C8H8BrN3

Suppliers	Catalog Number
Matrix Scientific	069239
Apollo Scientific	OR43550
Bide Pharmatech	BD159117

Database	Data ID
PubChem	37818578

M. W.

226.07322

CAS

1092351-49-9

Similarity

N/A

ID: 63915

ethyl 6-methylimidazo[1,2-a]pyridine-2-carboxylate

$$$$ Data

M. F.

C11H12N2O2

Suppliers	Catalog Number
Matrix Scientific	069240
Apollo Scientific	OR11996

Database	Data ID
PubChem	12558372

M. W.

204.22518

CAS

70705-30-5

Similarity

N/A

ID: 63916

ethyl 8-methylimidazo[1,2-a]pyridine-2-carboxylate

$$$$ Data

M. F.

C11H12N2O2

Suppliers	Catalog Number
Matrix Scientific	069241
Bide Pharmatech	BD29389

Database	Data ID
PubChem	5259932

M. W.

204.22518

CAS

67625-40-5

Similarity

N/A

ID: 63917

(1'S,2R,2'R,5'S,6S,7aR,10'S,11'S)-2',3,6,15'-tetramethyl-3a,4,5,6,7,7a-hexahydro...

$$$$ Data

M. F.

C27H41NO2

Suppliers	Catalog Number
Matrix Scientific	069242

Database	Data ID
PubChem	44118238

M. W.

411.61994

CAS

4449-51-8

Similarity

N/A

ID: 63918

6-chloro-3-nitroimidazo[1,2-b]pyridazine

$$$$ Data More

M. F.

C6H3ClN4O2

Suppliers	Catalog Number
Sigma Aldrich	17256
Matrix Scientific	069243
Enamine	EN300-117366

Database	Data ID
PubChem	10535981

M. W.

198.56662

CAS

18087-76-8

Similarity

N/A

ID: 63919

2-(quinoxalin-6-yl)acetic acid

$$$$ Data

M. F.

C10H8N2O2

Suppliers	Catalog Number
Matrix Scientific	069244
Apollo Scientific	OR17707

Database	Data ID
PubChem	18436916

M. W.

188.18272

CAS

473932-16-0

Similarity

N/A

ID: 63920

pteridine-2-thiol

$$$$ Data

M. F.

C6H4N4S

Suppliers	Catalog Number
Matrix Scientific	069245

Database	Data ID
PubChem	14712407

M. W.

164.18776

CAS

16878-76-5

Similarity

N/A

ID: 63921

pteridine

$$$$ Data

M. F.

C6H4N4

Suppliers	Catalog Number
Matrix Scientific	069246

Database	Data ID
Wikipedia	Pteridine
PubChem	1043

M. W.

132.12276

CAS

91-18-9

Similarity

N/A

ID: 63922

isoquinoline-4-carbaldehyde

$$$$ Data More

M. F.

C10H7NO

Suppliers	Catalog Number
Sigma Aldrich	737542
Matrix Scientific	069247
Maybridge	CC04904

Database	Data ID
PubChem	10868870

M. W.

157.16868

CAS

22960-16-3

Similarity

N/A

ID: 63923

isoquinoline-3-carboxylic acid

$$$$ Data More

M. F.

C10H7NO2

Suppliers	Catalog Number
Matrix Scientific	069248
Maybridge	CC04701
Apollo Scientific	OR16580

Database	Data ID
PubChem	124656

M. W.

173.16808

CAS

6624-49-3

Similarity

N/A

ID: 63924

isoquinoline-5-carboxylic acid

$$$$ Data More

M. F.

C10H7NO2

Suppliers	Catalog Number
Alfa Aesar	L19637
Matrix Scientific	069249
Apollo Scientific	OR8925

Database	Data ID
PubChem	260936

M. W.

173.16808

CAS

27810-64-6

Similarity

N/A

ID: 63925

4-(bromomethyl)oxane

$$$$ Data More

M. F.

C6H11BrO

Suppliers	Catalog Number
Matrix Scientific	069250
Maybridge	CC29908
Apollo Scientific	OR10382

Database	Data ID
PubChem	2773286

M. W.

179.05494

CAS

125552-89-8

Similarity

N/A

ID: 63926

6-chloropyridine-3,4-diamine

$$$$ Data More

M. F.

C5H6ClN3

Suppliers	Catalog Number
Matrix Scientific	069251
Apollo Scientific	OR60103
Bide Pharmatech	BD23009

Database	Data ID
PubChem	817133

M. W.

143.57424

CAS

89182-17-2

Similarity

N/A

ID: 63927

2-chloropyridine-3,4-diamine

$$$$ Data More

M. F.

C5H6ClN3

Suppliers	Catalog Number
Sigma Aldrich	736376
Matrix Scientific	069252
Enamine	EN300-98084

Database	Data ID
PubChem	285736

M. W.

143.57424

CAS

39217-08-8

Similarity

N/A

ID: 63928

2,6-dimethylpyridin-4-amine

$$$$ Data More

M. F.

C7H10N2

Suppliers	Catalog Number
Matrix Scientific	069253
Apollo Scientific	OR15746
Enamine	EN300-89439

Database	Data ID
PubChem	77047

M. W.

122.1677

CAS

3512-80-9

Similarity

N/A

ID: 63929

tert-butyl 3-amino-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxylate

$$$$ Data

M. F.

C10H16N4O2

Suppliers	Catalog Number
Matrix Scientific	069254
Apollo Scientific	OR40609
Bide Pharmatech	BD107344

Database	Data ID
PubChem	11333571

M. W.

224.25964

CAS

398491-59-3

Similarity

N/A

ID: 63930

2,4-dichloro-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine; trifluoroacetic acid

$$$$ Data

M. F.

C9H8Cl2F3N3O2

Suppliers	Catalog Number
Matrix Scientific	069255

Database	Data ID
PubChem	44118288

M. W.

318.0799296

CAS

1172930-59-4

Similarity

N/A

ID: 63931

6-benzyl-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,4-dione

$$$$ Data

M. F.

C13H13N3O2

Suppliers	Catalog Number
Matrix Scientific	069256
Bide Pharmatech	BD159196

Database	Data ID
PubChem	37819057

M. W.

243.26122

CAS

635698-34-9

Similarity

N/A

ID: 63932

1-methylpiperazin-2-one

$$$$ Data More

M. F.

C5H10N2O

Suppliers	Catalog Number
ChemBridge	4102111
Matrix Scientific	069257
Bide Pharmatech	BD29192

Database	Data ID
PubChem	4399042

M. W.

114.1457

CAS

59702-07-7

Similarity

N/A

ID: 63933

tert-butyl 5-bromo-1H-indazole-1-carboxylate

$$$$ Data

M. F.

C12H13BrN2O2

Suppliers	Catalog Number
Matrix Scientific	069258
Maybridge	CC53210
Apollo Scientific	OR9627

Database	Data ID
PubChem	22832025

M. W.

297.14782

CAS

651780-02-8

Similarity

N/A

ID: 63934

3-fluoro-3-nitrooxetane

$$$$ Data

M. F.

C3H4FNO3

Suppliers	Catalog Number
Matrix Scientific	069259

Database	Data ID
PubChem	12683277

M. W.

121.0671632

CAS

70187-44-9

Similarity

N/A

ID: 63935

3-phenyloxetan-3-ol

$$$$ Data

M. F.

C9H10O2

Suppliers	Catalog Number
Matrix Scientific	069260

Database	Data ID
PubChem	12699448

M. W.

150.1745

CAS

699-73-0

Similarity

N/A

ID: 63936

(3-phenyloxetan-3-yl)methanamine

$$$$ Data

M. F.

C10H13NO

Suppliers	Catalog Number
Matrix Scientific	069261
A&J Pharmtech	AJA-O16606

Database	Data ID
PubChem	45122473

M. W.

163.21632

CAS

497239-45-9

Similarity

N/A

ID: 63937

3-(chloromethyl)-3-(iodomethyl)oxetane

$$$$ Data

M. F.

C5H8ClIO

Suppliers	Catalog Number
Matrix Scientific	069262

Database	Data ID
PubChem	215561

M. W.

246.47389

CAS

35842-61-6

Similarity

N/A

ID: 63938

(3-phenyloxetan-3-yl)methanol

$$$$ Data

M. F.

C10H12O2

Suppliers	Catalog Number
Matrix Scientific	069263
TRC	P335850

Database	Data ID
PubChem	20063137

M. W.

164.20108

CAS

114012-43-0

Similarity

N/A

ID: 63939

3-(bromomethyl)-3-(chloromethyl)oxetane

$$$$ Data

M. F.

C5H8BrClO

Suppliers	Catalog Number
Matrix Scientific	069264

Database	Data ID
PubChem	529260

M. W.

199.47342

CAS

35842-60-5

Similarity

N/A

ID: 63940

[3-(aminomethyl)oxetan-3-yl]methanol

$$$$ Data More

M. F.

C5H11NO2

Suppliers	Catalog Number
Matrix Scientific	069265
Apollo Scientific	OR11732
Enamine	EN300-105482

Database	Data ID
PubChem	18706850

M. W.

117.14634

CAS

45513-32-4

Similarity

N/A

ID: 63941

4-iodooxane

$$$$ Data More

M. F.

C5H9IO

Suppliers	Catalog Number
Matrix Scientific	069266
Maybridge	CC29911
Apollo Scientific	OR9693

Database	Data ID
PubChem	2795506

M. W.

212.02883

CAS

25637-18-7

Similarity

N/A

ID: 63942

4-phenyloxane

$$$$ Data

M. F.

C11H14O

Suppliers	Catalog Number
Matrix Scientific	069267

Database	Data ID
PubChem	140726

M. W.

162.22826

CAS

20638-52-2

Similarity

N/A

ID: 63943

3-phenyloxolane

$$$$ Data

M. F.

C10H12O

Suppliers	Catalog Number
Matrix Scientific	069268

Database	Data ID
PubChem	576088

M. W.

148.20168

CAS

16766-63-5

Similarity

N/A

ID: 63944

3-(4-ethylphenyl)oxolane

$$$$ Data

M. F.

C12H16O

Suppliers	Catalog Number
Matrix Scientific	069269

Database	Data ID
PubChem	57416922

M. W.

176.25484

CAS

100058-36-4

Similarity

N/A

ID: 63945

2-phenyloxolane

$$$$ Data

M. F.

C10H12O

Suppliers	Catalog Number
Matrix Scientific	069270

Database	Data ID
PubChem	11389473

M. W.

148.20168

CAS

16133-83-8

Similarity

N/A

ID: 63946

2-(4-methoxyphenyl)oxolane

$$$$ Data

M. F.

C11H14O2

Suppliers	Catalog Number
Matrix Scientific	069271

Database	Data ID
PubChem	4357092

M. W.

178.22766

CAS

79623-15-7

Similarity

N/A

ID: 63947

4-fluorocyclohexan-1-one

$$$$ Data

M. F.

C6H9FO

Suppliers	Catalog Number
Matrix Scientific	069272

Database	Data ID
PubChem	11999997

M. W.

116.1334632

CAS

68223-64-3

Similarity

N/A

ID: 63948

7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine

$$$$ Data

M. F.

C6H5BrN4

Suppliers	Catalog Number
Matrix Scientific	069273
Bide Pharmatech	BD219631

Database	Data ID
PubChem	42281383

M. W.

213.0347

CAS

937046-98-5

Similarity

N/A

ID: 63949

(3R,4R)-4-amino-1-({4-[(3-methoxyphenyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl}...

$$$$ Data

M. F.

C19H24N6O2

Suppliers	Catalog Number
Selleck Chemicals	S4911
Matrix Scientific	069274

Database	Data ID
PubChem	11349170

M. W.

368.43286

CAS

859853-30-8

Similarity

N/A

ID: 63950

(2S)-1-{4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-y...

$$$$ Data

M. F.

C23H24FN9O

Suppliers	Catalog Number
Selleck Chemicals	S1124
Matrix Scientific	069275

Database	Data ID
PubChem	24785538

M. W.

461.4947632

CAS

1001350-96-4

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