Chembase list of 866358 unique molecular structures

$$$$ Data More

M. F.

C9H19NO

Suppliers	Catalog Number
Sigma Aldrich	115746 56515
Alfa Aesar	B22664
Apollo Scientific	OR6938

Database	Data ID
PubChem	75471

M. W.

157.25326

CAS

2403-88-5

Similarity

N/A

ID: 91302

methyl 8-hydroxynaphthalene-1-carboxylate

$$$$ Data

M. F.

C12H10O3

Suppliers	Catalog Number
Apollo Scientific	OR6939
Bide Pharmatech	BD111329

Database	Data ID
PubChem	608759

M. W.

202.206

CAS

5247-86-9

Similarity

N/A

ID: 91303

2,2,6,6-tetramethylpiperidin-4-one hydrochloride

$$$$ Data More

M. F.

C9H18ClNO

Suppliers	Catalog Number
Sigma Aldrich	115762 87910
BioBioPha	BBP01047
MP Biomedicals	02156823

Database	Data ID
PubChem	94452

M. W.

191.69832

CAS

33973-59-0

Similarity

N/A

ID: 91304

1,5-dioxa-9-azaspiro[5.5]undecane

$$$$ Data

M. F.

C8H15NO2

Suppliers	Catalog Number
Apollo Scientific	OR6947

Database	Data ID
PubChem	2737216

M. W.

157.2102

CAS

180-94-9

Similarity

N/A

ID: 91305

1-chloro-2-methanesulfonylbenzene

$$$$ Data

M. F.

C7H7ClO2S

Suppliers	Catalog Number
Sigma Aldrich	669342
Apollo Scientific	OR6950
Bide Pharmatech	BD235708

Database	Data ID
PubChem	2757822

M. W.

190.64728

CAS

17482-05-2

Similarity

N/A

ID: 91306

2-azido-3-(²H₃)methyl-4,8-dimethyl-3H-imidazo[4,5-f]quinox...

$$$$ Data

M. F.

C12H11N7

Suppliers	Catalog Number
Apollo Scientific	OR8675T OR6950T
TRC	A867502

Database	Data ID
PubChem	46780539

M. W.

253.26264

CAS

Similarity

N/A

ID: 91307

dichloropyridazine-3,6-diol

$$$$ Data

M. F.

C4H2Cl2N2O2

Suppliers	Catalog Number
Apollo Scientific	OR6952

Database	Data ID
PubChem	241446

M. W.

180.97688

CAS

6641-32-3

Similarity

N/A

ID: 91308

tetrachloropyridazine

$$$$ Data

M. F.

C4Cl4N2

Suppliers	Catalog Number
Apollo Scientific	OR6953

Database	Data ID
PubChem	251028

M. W.

217.8682

CAS

20074-67-3

Similarity

N/A

ID: 91309

1-[(2-iodophenyl)methyl]piperidine

$$$$ Data

M. F.

C12H16IN

Suppliers	Catalog Number
Apollo Scientific	OR6957

Database	Data ID
PubChem	11808769

M. W.

301.16661

CAS

Similarity

N/A

ID: 91310

N-[(2-iodophenyl)methyl]-N-methylaniline

$$$$ Data

M. F.

C14H14IN

Suppliers	Catalog Number
Apollo Scientific	OR6958

Database	Data ID
PubChem	17750320

M. W.

323.17213

CAS

Similarity

N/A

ID: 91311

diethyl[(2-iodophenyl)methyl]amine

$$$$ Data

M. F.

C11H16IN

Suppliers	Catalog Number
Apollo Scientific	OR6959

Database	Data ID
PubChem	10446865

M. W.

289.15591

CAS

Similarity

N/A

ID: 91312

[(2-iodophenyl)methyl]dimethylamine

$$$$ Data

M. F.

C9H12IN

Suppliers	Catalog Number
Apollo Scientific	OR6960

Database	Data ID
PubChem	12780305

M. W.

261.10275

CAS

10175-33-4

Similarity

N/A

ID: 91313

4-methyl-1,3-oxazole-5-carbonitrile

$$$$ Data

M. F.

C5H4N2O

Suppliers	Catalog Number
Apollo Scientific	OR6961

Database	Data ID
PubChem	70480

M. W.

108.09806

CAS

1003-52-7

Similarity

N/A

ID: 91314

4-methyl-1,3-oxazole-5-carboxamide

$$$$ Data

M. F.

C5H6N2O2

Suppliers	Catalog Number
Apollo Scientific	OR6962

Database	Data ID
PubChem	78581

M. W.

126.11334

CAS

4866-00-6

Similarity

N/A

ID: 91315

1-iodo-2,4-dimethyl-5-nitrobenzene

$$$$ Data

M. F.

C8H8INO2

Suppliers	Catalog Number
Apollo Scientific	OR6963

Database	Data ID
PubChem	12249867

M. W.

277.05909

CAS

4102-38-9

Similarity

N/A

ID: 91316

1-chloro-2,4-dimethyl-5-nitrobenzene

$$$$ Data

M. F.

C8H8ClNO2

Suppliers	Catalog Number
Apollo Scientific	OR6964
Bide Pharmatech	BD57733

Database	Data ID
PubChem	3456522

M. W.

185.60762

CAS

69383-68-2

Similarity

N/A

ID: 91317

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

$$$$ Data

M. F.

C8H8BrNO2

Suppliers	Catalog Number
Apollo Scientific	OR6965

Database	Data ID
PubChem	12474326

M. W.

230.05862

CAS

69383-59-1

Similarity

N/A

ID: 91318

methyl 3-formyl-4-hydroxybenzoate

$$$$ Data

M. F.

C9H8O4

Suppliers	Catalog Number
Sigma Aldrich	673706
Apollo Scientific	OR6967
Enamine	EN300-65384

Database	Data ID
PubChem	212595

M. W.

180.15742

CAS

24589-99-9

Similarity

N/A

ID: 91319

3-chloro-2-hydroxybenzaldehyde

$$$$ Data More

M. F.

C7H5ClO2

Suppliers	Catalog Number
Sigma Aldrich	673722
Apollo Scientific	OR6968
TRC	C381900

Database	Data ID
PubChem	519651

M. W.

156.5664

CAS

1927-94-2

Similarity

N/A

ID: 91320

3-tert-butyl-2-hydroxybenzaldehyde

$$$$ Data More

M. F.

C11H14O2

Suppliers	Catalog Number
Sigma Aldrich	481874
Apollo Scientific	OR6969
Bide Pharmatech	BD13258

Database	Data ID
PubChem	3678675

M. W.

178.22766

CAS

24623-65-2

Similarity

N/A

ID: 91321

N-(4-cyano-2-ethylphenyl)acetamide

$$$$ Data

M. F.

C11H12N2O

Suppliers	Catalog Number
Maybridge	TL00732
Apollo Scientific	OR6971

Database	Data ID
PubChem	2735222

M. W.

188.22578

CAS

34921-76-1

Similarity

N/A

ID: 91322

N-(4-bromo-2-ethylphenyl)acetamide

$$$$ Data

M. F.

C10H12BrNO

Suppliers	Catalog Number
Alfa Aesar	B20655
Apollo Scientific	OR6972

Database	Data ID
PubChem	2735223

M. W.

242.11238

CAS

51688-73-4

Similarity

N/A

ID: 91323

2,5-diisothiocyanatobenzene-1-sulfonic acid hydrate

$$$$ Data

M. F.

C8H6N2O4S3

Suppliers	Catalog Number
Apollo Scientific	OR6974

Database	Data ID
PubChem	44119683

M. W.

290.33924

CAS

Similarity

N/A

ID: 91324

2-hydroxy-4-methylbenzaldehyde

$$$$ Data More

M. F.

C8H8O2

Suppliers	Catalog Number
Sigma Aldrich	W369705
ChemBridge	4002351
Alfa Aesar	H33909

Database	Data ID
PubChem	61200

M. W.

136.14792

CAS

698-27-1

Similarity

N/A

ID: 91325

2-hydroxy-3-methylbenzaldehyde

$$$$ Data More

M. F.

C8H8O2

Suppliers	Catalog Number
Sigma Aldrich	444553 69155
Apollo Scientific	OR6976
Chemik	CHB18781

Database	Data ID
PubChem	522777

M. W.

136.14792

CAS

824-42-0

Similarity

N/A

ID: 91326

methyl 3-hydroxy-4-(hydroxymethyl)benzoate

$$$$ Data

M. F.

C9H10O4

Suppliers	Catalog Number
Apollo Scientific	OR6978

Database	Data ID
PubChem	13013948

M. W.

182.1733

CAS

71780-40-0

Similarity

N/A

ID: 91327

2-bromo-6-(hydroxymethyl)phenol

$$$$ Data

M. F.

C7H7BrO2

Suppliers	Catalog Number
Apollo Scientific	OR6986

Database	Data ID
PubChem	17750327

M. W.

203.03328

CAS

28165-46-0

Similarity

N/A

ID: 91328

4-(2-sulfamoylphenyl)benzoic acid

$$$$ Data

M. F.

C13H11NO4S

Suppliers	Catalog Number
Apollo Scientific	OR6989
A&J Pharmtech	AJA-O15799

Database	Data ID
PubChem	2760555

M. W.

277.29574

CAS

352615-90-8

Similarity

N/A

ID: 91329

(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carbaldehyde

$$$$ Data

M. F.

C6H10O5

Suppliers	Catalog Number
Apollo Scientific	OR6991
TRC	A653240

Database	Data ID
PubChem	11116353

M. W.

162.1406

CAS

495-75-0

Similarity

N/A

ID: 91330

2-[5-(aminomethyl)-2-methoxyphenyl]acetic acid

$$$$ Data

M. F.

C10H13NO3

Suppliers	Catalog Number
Apollo Scientific	OR6992

Database	Data ID
PubChem	20098775

M. W.

195.21512

CAS

Similarity

N/A

ID: 91331

methyl 5-(aminomethyl)furan-2-carboxylate

$$$$ Data

M. F.

C7H9NO3

Suppliers	Catalog Number
Apollo Scientific	OR6994
Enamine	EN300-77744

Database	Data ID
PubChem	15923336

M. W.

155.15126

CAS

Similarity

N/A

ID: 91332

3,4-dihydro-2H-1,4-benzothiazin-3-one

$$$$ Data More

M. F.

C8H7NOS

Suppliers	Catalog Number
Sigma Aldrich	175277
Alfa Aesar	A11091
Apollo Scientific	OR7000

Database	Data ID
PubChem	21396

M. W.

165.21228

CAS

5325-20-2

Similarity

N/A

ID: 91333

2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione

$$$$ Data

M. F.

C10H12O2

Suppliers	Catalog Number
Sigma Aldrich	274666
MP Biomedicals	02156918
Apollo Scientific	OR70000

Database	Data ID
Wikipedia	Thymoquinone
PubChem	10281

M. W.

164.20108

CAS

490-91-5

Similarity

N/A

ID: 91334

(2,6-dimethylphenyl)methanamine

$$$$ Data More

M. F.

C9H13N

Suppliers	Catalog Number
Apollo Scientific	OR70001
Enamine	EN300-111033
Bide Pharmatech	BD68474

Database	Data ID
PubChem	12622912

M. W.

135.20622

CAS

74788-82-2

Similarity

N/A

ID: 91335

N-(4-oxocyclohexa-2,5-dien-1-ylidene)acetamide

$$$$ Data

M. F.

C8H7NO2

Suppliers	Catalog Number
Sigma Aldrich	A7300
Apollo Scientific	OR7000T
TRC	A170000

Database	Data ID
PubChem	39763

M. W.

149.14668

CAS

50700-49-7

Similarity

N/A

ID: 91336

[(2,6-dimethoxybenzoyl)(2,4,4-trimethylpentyl)phosphoryl](2,6-dimethoxyphenyl)me...

$$$$ Data

M. F.

C26H35O7P

Suppliers	Catalog Number
Apollo Scientific	OR7002

Database	Data ID
PubChem	164459

M. W.

490.525661

CAS

Similarity

N/A

ID: 91337

{4-[(2-phenylethyl)carbamoyl]phenyl}boronic acid

$$$$ Data

M. F.

C15H16BNO3

Suppliers	Catalog Number
Apollo Scientific	OR7005

Database	Data ID
PubChem	22346976

M. W.

269.10344

CAS

Similarity

N/A

ID: 91338

1-chloro-2-isocyanato-4-methylbenzene

$$$$ Data

M. F.

C8H6ClNO

Suppliers	Catalog Number
Sigma Aldrich	511986
Apollo Scientific	OR70050

Database	Data ID
PubChem	3618050

M. W.

167.59234

CAS

40398-03-6

Similarity

N/A

ID: 91339

3-(5-bromo-2-methoxyphenyl)prop-2-enoic acid

$$$$ Data

M. F.

C10H9BrO3

Suppliers	Catalog Number
Alfa Aesar	A17790
Apollo Scientific	OR7006
Bide Pharmatech	BD12788

Database	Data ID
PubChem	676162

M. W.

257.08066

CAS

40803-53-0

Similarity

N/A

ID: 91340

6-chloro-1-methyl-1H-indole

$$$$ Data

M. F.

C9H8ClN

Suppliers	Catalog Number
Apollo Scientific	OR70060

Database	Data ID
PubChem	15335321

M. W.

165.61952

CAS

155868-51-2

Similarity

N/A

ID: 91341

3-(2,4-dichlorophenyl)-3-oxopropanenitrile

$$$$ Data More

M. F.

C9H5Cl2NO

Suppliers	Catalog Number
Apollo Scientific	OR7008
Enamine	EN300-40270
Bide Pharmatech	BD79171

Database	Data ID
PubChem	13630728

M. W.

214.0481

CAS

39528-61-5

Similarity

N/A

ID: 91342

3-(4-nitrophenyl)-3-oxopropanenitrile

$$$$ Data

M. F.

C9H6N2O3

Suppliers	Catalog Number
Apollo Scientific	OR7009
Bide Pharmatech	BD28415
A&J Pharmtech	AJA-O39828 AJA-O13541

Database	Data ID
PubChem	591459

M. W.

190.15554

CAS

3383-43-5

Similarity

N/A

ID: 91343

3-(3-nitrophenyl)-3-oxopropanenitrile

$$$$ Data

M. F.

C9H6N2O3

Suppliers	Catalog Number
Apollo Scientific	OR7010
Enamine	EN300-40951
A&J Pharmtech	AJA-O38850

Database	Data ID
PubChem	12382744

M. W.

190.15554

CAS

21667-64-1

Similarity

N/A

ID: 91344

bis(4-hydrazinylbenzene-1-sulfonic acid) hydrate

$$$$ Data

M. F.

C12H18N4O7S2

Suppliers	Catalog Number
Apollo Scientific	OR70100

Database	Data ID
PubChem	2735055

M. W.

394.42392

CAS

854689-07-9

Similarity

N/A

ID: 91345

3-(4-iodophenyl)-3-oxopropanenitrile

$$$$ Data

M. F.

C9H6INO

Suppliers	Catalog Number
Apollo Scientific	OR7011
A&J Pharmtech	AJA-O33598

Database	Data ID
PubChem	23132118

M. W.

271.05451

CAS

206346-33-0

Similarity

N/A

ID: 91346

sodium propanoate

$$$$ Data

M. F.

C3H5NaO2

Suppliers	Catalog Number
Sigma Aldrich	18108 W518905 109193 (more...)
Alfa Aesar	A17440
Apollo Scientific	OR70110

Database	Data ID
Wikipedia	Sodium_propionate
PubChem	2723816

M. W.

96.06037

CAS

137-40-6

Similarity

N/A

ID: 91347

2-methyl-N-[(3S)-piperidin-3-yl]propanamide hydrochloride

$$$$ Data

M. F.

C9H19ClN2O

Suppliers	Catalog Number
Apollo Scientific	OR70121

Database	Data ID
PubChem	53256894

M. W.

206.71296

CAS

Similarity

N/A

ID: 91348

tert-butyl (3S)-3-(2-methoxyacetamido)piperidine-1-carboxylate

$$$$ Data

M. F.

C13H24N2O4

Suppliers	Catalog Number
Apollo Scientific	OR70122

Database	Data ID
PubChem	53256895

M. W.

272.34066

CAS

Similarity

N/A

ID: 91349

tert-butyl (3R)-3-[2-(dimethylamino)acetamido]piperidine-1-carboxylate

$$$$ Data

M. F.

C14H27N3O3

Suppliers	Catalog Number
Apollo Scientific	OR70123

Database	Data ID
PubChem	53256455

M. W.

285.38248

CAS

Similarity

N/A

ID: 91350

2-(dimethylamino)-N-[(3S)-piperidin-3-yl]acetamide dihydrochloride

$$$$ Data

M. F.

C9H21Cl2N3O

Suppliers	Catalog Number
Apollo Scientific	OR70124

Database	Data ID
PubChem	53256897

M. W.

258.18854

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