Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C10H12N2S

Suppliers	Catalog Number
ChemBridge	4009523
Life Chemicals	F0807-0465
Enamine	EN300-03538

Database	Data ID
PubChem	755552

M. W.

192.28068

CAS

67624-25-3

Similarity

N/A

ID: 113302

4-fluoro-N-(4-hydroxyphenyl)benzene-1-sulfonamide

$$$$ Data

M. F.

C12H10FNO3S

Suppliers	Catalog Number
Life Chemicals	F0808-0633

Database	Data ID
PubChem	764850

M. W.

267.2761032

CAS

Similarity

N/A

ID: 113303

4-(piperidine-1-carbonyl)phenol

$$$$ Data

M. F.

C12H15NO2

Suppliers	Catalog Number
Life Chemicals	F0808-1085

Database	Data ID
PubChem	950336

M. W.

205.253

CAS

Similarity

N/A

ID: 113304

2,5-dimethylbenzene-1-sulfonamide

$$$$ Data

M. F.

C8H11NO2S

Suppliers	Catalog Number
Life Chemicals	F0808-2049
Enamine	EN300-01218

Database	Data ID
PubChem	222871

M. W.

185.24344

CAS

6292-58-6

Similarity

N/A

ID: 113305

(5E)-5-[(4-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one

$$$$ Data

M. F.

C10H8N2O2S

Suppliers	Catalog Number
Life Chemicals	F0812-0004

Database	Data ID
PubChem	1206242

M. W.

220.24772

CAS

Similarity

N/A

ID: 113306

4-(2,6-dimethyl-4-oxo-1,4-dihydropyridin-1-yl)benzoic acid

$$$$ Data

M. F.

C14H13NO3

Suppliers	Catalog Number
Life Chemicals	F0813-0017

Database	Data ID
PubChem	764960

M. W.

243.25792

CAS

Similarity

N/A

ID: 113307

N'-(4-hydroxy-6-methylpyrimidin-2-yl)acetohydrazide

$$$$ Data

M. F.

C7H10N4O2

Suppliers	Catalog Number
Life Chemicals	F0814-0004

Database	Data ID
PubChem	227932

M. W.

182.1799

CAS

Similarity

N/A

ID: 113308

2-amino-N-(4-bromophenyl)acetamide

$$$$ Data

M. F.

C8H9BrN2O

Suppliers	Catalog Number
Life Chemicals	F0814-0010

Database	Data ID
PubChem	871334

M. W.

229.07386

CAS

Similarity

N/A

ID: 113309

2-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]acetic acid

$$$$ Data

M. F.

C6H7F3O4

Suppliers	Catalog Number
Life Chemicals	F0814-0016

Database	Data ID
PubChem	582813

M. W.

200.1125896

CAS

70976-13-5

Similarity

N/A

ID: 113310

2-(2-imino-1,3-thiazolidin-3-yl)-1-phenylethan-1-one

$$$$ Data

M. F.

C11H12N2OS

Suppliers	Catalog Number
Life Chemicals	F0814-0045

Database	Data ID
PubChem	81157

M. W.

220.29078

CAS

4335-26-6

Similarity

N/A

ID: 113311

11-(methylsulfanyl)-3,12-dithia-5,10-diazatricyclo[7.3.0.0²,⁶

$$$$ Data

M. F.

C9H7N3S3

Suppliers	Catalog Number
Life Chemicals	F0817-0083

Database	Data ID
PubChem	2049593

M. W.

253.36698

CAS

Similarity

N/A

ID: 113312

5-methyl-3-sulfanyl-7H,8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one

$$$$ Data

M. F.

C6H6N4OS

Suppliers	Catalog Number
Life Chemicals	F0820-0242

Database	Data ID
PubChem	854647

M. W.

182.20304

CAS

91184-07-5

Similarity

N/A

ID: 113313

5-hydroxy-2-phenyl-1-benzofuran-3-carboxylic acid

$$$$ Data

M. F.

C15H10O4

Suppliers	Catalog Number
Life Chemicals	F0821-0031
InterBioScreen	STOCK1N-24146

Database	Data ID
PubChem	677882

M. W.

254.2375

CAS

Similarity

N/A

ID: 113314

5-[(2-methylprop-2-en-1-yl)oxy]-2-phenyl-1-benzofuran-3-carboxylic acid

$$$$ Data

M. F.

C19H16O4

Suppliers	Catalog Number
Life Chemicals	F0821-0162
InterBioScreen	STOCK1N-22264

Database	Data ID
PubChem	702022

M. W.

308.32794

CAS

Similarity

N/A

ID: 113315

5-(acetyloxy)-2-methyl-1-benzofuran-3-carboxylic acid

$$$$ Data

M. F.

C12H10O5

Suppliers	Catalog Number
Life Chemicals	F0821-0206
InterBioScreen	STOCK1N-28840

Database	Data ID
PubChem	702035

M. W.

234.2048

CAS

Similarity

N/A

ID: 113316

4-(2H-1,3-benzodioxol-5-yl)-1,3-thiazol-2-amine

$$$$ Data

M. F.

C10H8N2O2S

Suppliers	Catalog Number
Life Chemicals	F0825-0004
InterBioScreen	BB_SC-6297
Enamine	EN300-02263

Database	Data ID
PubChem	727580

M. W.

220.24772

CAS

Similarity

N/A

ID: 113317

3-{3,5-dioxo-4-azatricyclo[5.2.1.0²,⁶]dec-8-en-4-yl}propan...

$$$$ Data

M. F.

C12H13NO4

Suppliers	Catalog Number
Life Chemicals	F0827-0025

Database	Data ID
PubChem	2793407

M. W.

235.23592

CAS

Similarity

N/A

ID: 113318

2-{3,5-dioxo-4-azatricyclo[5.2.1.0²,⁶]dec-8-en-4-yl}-4-met...

$$$$ Data

M. F.

C15H19NO4

Suppliers	Catalog Number
Life Chemicals	F0827-0029

Database	Data ID
PubChem	2793617

M. W.

277.31566

CAS

Similarity

N/A

ID: 113319

2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-(1H-imidazol-5-yl)propanoic acid

$$$$ Data

M. F.

C14H11N3O4

Suppliers	Catalog Number
Life Chemicals	F0827-0155
Enamine	EN300-00254

Database	Data ID
PubChem	261550

M. W.

285.25484

CAS

Similarity

N/A

ID: 113320

2-{3,5-dioxo-4-azatricyclo[5.2.1.0²,⁶]dec-8-en-4-yl}-3-(1H...

$$$$ Data

M. F.

C15H15N3O4

Suppliers	Catalog Number
Life Chemicals	F0827-0192

Database	Data ID
PubChem	2770226

M. W.

301.2973

CAS

Similarity

N/A

ID: 113321

3-methyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

$$$$ Data

M. F.

C9H8N2OS

Suppliers	Catalog Number
Life Chemicals	F0829-0012

Database	Data ID
PubChem	747056

M. W.

192.23762

CAS

1705-09-5

Similarity

N/A

ID: 113322

7-(bromomethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-one

$$$$ Data

M. F.

C10H15BrO

Suppliers	Catalog Number
Life Chemicals	F0848-0094

Database	Data ID
PubChem	556879

M. W.

231.1295

CAS

Similarity

N/A

ID: 113323

3-bromo-7-(bromomethyl)-1,7-dimethylbicyclo[2.2.1]heptan-2-one

$$$$ Data

M. F.

C10H14Br2O

Suppliers	Catalog Number
Life Chemicals	F0848-0095

Database	Data ID
PubChem	353808

M. W.

310.02556

CAS

Similarity

N/A

ID: 113324

2-(furan-2-carbonyl)-1H-imidazole

$$$$ Data

M. F.

C8H6N2O2

Suppliers	Catalog Number
Life Chemicals	F0848-0158

Database	Data ID
PubChem	661320

M. W.

162.14544

CAS

62457-95-8

Similarity

N/A

ID: 113325

potassium 2-amino-4-(trifluoromethyl)benzene-1-sulfonate

$$$$ Data

M. F.

C7H5F3KNO3S

Suppliers	Catalog Number
Life Chemicals	F0848-0191

Database	Data ID
PubChem	23667421

M. W.

279.2780096

CAS

Similarity

N/A

ID: 113326

(E)-1H-1,3-benzodiazole-2-carbonimidoyl cyanide

$$$$ Data

M. F.

C9H6N4O

Suppliers	Catalog Number
Life Chemicals	F0848-0203

Database	Data ID
PubChem	5410188

M. W.

186.17014

CAS

63823-75-6

Similarity

N/A

ID: 113327

(E)-1,3-benzothiazole-2-carbonimidoyl cyanide

$$$$ Data

M. F.

C9H5N3OS

Suppliers	Catalog Number
Life Chemicals	F0848-0206

Database	Data ID
PubChem	5291029

M. W.

203.2205

CAS

Similarity

N/A

ID: 113328

sodium (E)-1-methyl-1H-1,3-benzodiazole-2-carbonimidoyl cyanide

$$$$ Data

M. F.

C10H7N4NaO

Suppliers	Catalog Number
Life Chemicals	F0848-0229

Database	Data ID
PubChem	23670907

M. W.

222.17855

CAS

Similarity

N/A

ID: 113329

2-(6-bromo-2-methoxynaphthalen-1-yl)acetic acid

$$$$ Data

M. F.

C13H11BrO3

Suppliers	Catalog Number
ChemBridge	4401378
Life Chemicals	F0848-0240

Database	Data ID
PubChem	854631

M. W.

295.12864

CAS

329269-13-8

Similarity

N/A

ID: 113330

N-[(1Z)-2-(pyridin-2-yl)cyclohexylidene]hydroxylamine

$$$$ Data

M. F.

C11H14N2O

Suppliers	Catalog Number
Life Chemicals	F0848-0294

Database	Data ID
PubChem	5707866

M. W.

190.24166

CAS

3297-68-5

Similarity

N/A

ID: 113331

5-iodofuran-2-carboxylic acid

$$$$ Data

M. F.

C5H3IO3

Suppliers	Catalog Number
Life Chemicals	F0848-0308

Database	Data ID
PubChem	712449

M. W.

237.97999

CAS

18614-11-4

Similarity

N/A

ID: 113332

2-methoxy-5-methylbenzene-1,3-dicarbaldehyde

$$$$ Data

M. F.

C10H10O3

Suppliers	Catalog Number
Life Chemicals	F0848-0322

Database	Data ID
PubChem	1534766

M. W.

178.1846

CAS

71128-83-1

Similarity

N/A

ID: 113333

thiomorpholin-3-one

$$$$ Data More

M. F.

C4H7NOS

Suppliers	Catalog Number
Life Chemicals	F0848-0336
Enamine	EN300-78413
Bide Pharmatech	BD153923

Database	Data ID
PubChem	88402

M. W.

117.16948

CAS

20196-21-8

Similarity

N/A

ID: 113334

(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methanol

$$$$ Data

M. F.

C11H11ClN2O

Suppliers	Catalog Number
Life Chemicals	F0848-0373
Enamine	EN300-13605

Database	Data ID
PubChem	940312

M. W.

222.67084

CAS

1136-60-3

Similarity

N/A

ID: 113335

2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxylic acid

$$$$ Data

M. F.

C11H10F3NO2S

Suppliers	Catalog Number
Life Chemicals	F0849-5820

Database	Data ID
PubChem	500333

M. W.

277.2628096

CAS

Similarity

N/A

ID: 113336

2-(3-bromophenyl)-1,3-thiazolidine-4-carboxylic acid

$$$$ Data

M. F.

C10H10BrNO2S

Suppliers	Catalog Number
Life Chemicals	F0850-6075
Enamine	EN300-71886

Database	Data ID
PubChem	2787214

M. W.

288.1609

CAS

Similarity

N/A

ID: 113337

(Z)-N'-hydroxy-2-(2-methoxyphenyl)ethenimidamide

$$$$ Data

M. F.

C9H12N2O2

Suppliers	Catalog Number
Life Chemicals	F0850-6637

Database	Data ID
PubChem	10375027

M. W.

180.20378

CAS

Similarity

N/A

ID: 113338

3-(1-benzyl-1H-1,3-benzodiazol-2-yl)propan-1-ol

$$$$ Data

M. F.

C17H18N2O

Suppliers	Catalog Number
ChemBridge	5849395
Life Chemicals	F0852-0112

Database	Data ID
PubChem	2872475

M. W.

266.33762

CAS

121356-81-8

Similarity

N/A

ID: 113339

2-(3,4-dimethoxyphenyl)-1H-1,3-benzodiazole

$$$$ Data

M. F.

C15H14N2O2

Suppliers	Catalog Number
Life Chemicals	F0852-0175

Database	Data ID
PubChem	345698

M. W.

254.28386

CAS

2620-85-1

Similarity

N/A

ID: 113340

2-(2-methylpropyl)-1H-1,3-benzodiazole

$$$$ Data

M. F.

C11H14N2

Suppliers	Catalog Number
Life Chemicals	F0853-0015
Enamine	EN300-33686

Database	Data ID
PubChem	583438

M. W.

174.24226

CAS

5851-45-6

Similarity

N/A

ID: 113341

2-{[(2-bromoethyl)amino]methyl}cyclohexan-1-one

$$$$ Data

M. F.

C9H16BrNO

Suppliers	Catalog Number
Life Chemicals	F0861-0007

Database	Data ID
PubChem	2770481

M. W.

234.13344

CAS

Similarity

N/A

ID: 113342

5-[3-(dimethylamino)propyl]-1,3,5-triazinane-2-thione

$$$$ Data

M. F.

C8H18N4S

Suppliers	Catalog Number
Life Chemicals	F0861-0024

Database	Data ID
PubChem	741677

M. W.

202.32032

CAS

Similarity

N/A

ID: 113343

5-(2-hydroxyethyl)-1,3,5-triazinane-2-thione

$$$$ Data

M. F.

C5H11N3OS

Suppliers	Catalog Number
Life Chemicals	F0861-0027

Database	Data ID
PubChem	731344

M. W.

161.22534

CAS

26957-73-3

Similarity

N/A

ID: 113344

2-[4-(benzylsulfanyl)-1,2,3,6-tetrahydro-1,3,5-triazin-1-yl]ethan-1-ol

$$$$ Data

M. F.

C12H17N3OS

Suppliers	Catalog Number
Life Chemicals	F0861-0031

Database	Data ID
PubChem	741680

M. W.

251.34788

CAS

Similarity

N/A

ID: 113345

1-(hydroxymethyl)pyrrolidin-2-one

$$$$ Data

M. F.

C5H9NO2

Suppliers	Catalog Number
Life Chemicals	F0861-0038
Enamine	EN300-65456

Database	Data ID
PubChem	84911

M. W.

115.13046

CAS

15438-71-8

Similarity

N/A

ID: 113346

1-(chloromethyl)pyrrolidin-2-one

$$$$ Data

M. F.

C5H8ClNO

Suppliers	Catalog Number
Life Chemicals	F0861-0039
Enamine	EN300-27821

Database	Data ID
PubChem	2770497

M. W.

133.57612

CAS

31282-95-8

Similarity

N/A

ID: 113347

3-methyl-1,3-thiazolidin-2-imine

$$$$ Data

M. F.

C4H8N2S

Suppliers	Catalog Number
Life Chemicals	F0861-0066

Database	Data ID
PubChem	77318

M. W.

116.18472

CAS

33918-09-1

Similarity

N/A

ID: 113348

2-(2-imino-1,3-thiazolidin-3-yl)acetic acid

$$$$ Data

M. F.

C5H8N2O2S

Suppliers	Catalog Number
Life Chemicals	F0861-0067

Database	Data ID
PubChem	316539

M. W.

160.19422

CAS

Similarity

N/A

ID: 113349

5-amino-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

$$$$ Data

M. F.

C11H9N5O

Suppliers	Catalog Number
Life Chemicals	F0863-0288
Enamine	EN300-09887

Database	Data ID
PubChem	1536965

M. W.

227.22206

CAS

69923-95-1

Similarity

N/A

ID: 113350

2-amino-5-phenylthiophene-3-carboxamide

$$$$ Data

M. F.

C11H10N2OS

Suppliers	Catalog Number
Life Chemicals	F0863-0293
Enamine	EN300-04586
Bide Pharmatech	BD70541

Database	Data ID
PubChem	703965

M. W.

218.2749

CAS

4815-35-4

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