Chembase list of 866358 unique molecular structures

$$$$ Data More

M. F.

C7H4ClNO3

Suppliers	Catalog Number
Sigma Aldrich	112208 73120 73122
MP Biomedicals	05216395
Alfa Aesar	A12543

Database	Data ID
PubChem	8502

M. W.

185.56456

CAS

122-04-3

Similarity

N/A

ID: 78052

1,3-oxazol-4-ylmethanamine hydrochloride

$$$$ Data

M. F.

C4H7ClN2O

Suppliers	Catalog Number
Apollo Scientific	OR17028
Bide Pharmatech	BD29033

Database	Data ID
PubChem	45790028

M. W.

134.56418

CAS

1072806-60-0

Similarity

N/A

ID: 78053

methyl 2-oxo-2H-pyran-3-carboxylate

$$$$ Data

M. F.

C7H6O4

Suppliers	Catalog Number
Sigma Aldrich	359475 83197
Alfa Aesar	H25932
Apollo Scientific	OR17032

Database	Data ID
PubChem	117704

M. W.

154.12014

CAS

25991-27-9

Similarity

N/A

ID: 78054

cyclopropylmethanamine hydrochloride

$$$$ Data

M. F.

C4H10ClN

Suppliers	Catalog Number
Sigma Aldrich	A63805
Apollo Scientific	OR17033

Database	Data ID
PubChem	81671

M. W.

107.5819

CAS

7252-53-1

Similarity

N/A

ID: 78055

3-[4-(dimethylamino)phenyl]prop-2-enal

$$$$ Data More

M. F.

C11H13NO

Suppliers	Catalog Number
Sigma Aldrich	D4506 49825 39421
MP Biomedicals	05209178 02150933
Alfa Aesar	B24741

Database	Data ID
Wikipedia	DMACA_reagent
PubChem	5284506

M. W.

175.22702

CAS

6203-18-5

Similarity

N/A

ID: 78056

1-aminocyclobutane-1-carboxylic acid

$$$$ Data

M. F.

C5H9NO2

Suppliers	Catalog Number
Sigma Aldrich	652369
MP Biomedicals	02159696
Apollo Scientific	OR17036

Database	Data ID
PubChem	89643

M. W.

115.13046

CAS

22264-50-2

Similarity

N/A

ID: 78057

N-(3-bromo-2-nitrophenyl)acetamide

$$$$ Data

M. F.

C8H7BrN2O3

Suppliers	Catalog Number
Apollo Scientific	OR17037
Bide Pharmatech	BD229510

Database	Data ID
PubChem	46739428

M. W.

259.05678

CAS

99233-18-8

Similarity

N/A

ID: 78058

1-[2-(4-bromophenoxy)ethyl]-1H-pyrazole

$$$$ Data

M. F.

C11H11BrN2O

Suppliers	Catalog Number
Apollo Scientific	OR17038

Database	Data ID
PubChem	46739423

M. W.

267.12184

CAS

1150271-30-9

Similarity

N/A

ID: 78059

2-chloro-6-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

$$$$ Data

M. F.

C12H17BClNO2

Suppliers	Catalog Number
Apollo Scientific	OR17039

Database	Data ID
PubChem	46739414

M. W.

253.53288

CAS

697739-22-3

Similarity

N/A

ID: 78060

tert-butyl (4R,5S)-4-formyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate

$$$$ Data

M. F.

C12H21NO4

Suppliers	Catalog Number
Apollo Scientific	OR17040

Database	Data ID
PubChem	11118248

M. W.

243.29944

CAS

Similarity

N/A

ID: 78061

1,1,3,3-tetrachloroprop-1-ene

$$$$ Data

M. F.

C3H2Cl4

Suppliers	Catalog Number
Apollo Scientific	OR17042

Database	Data ID
PubChem	5324889

M. W.

179.85998

CAS

18611-43-3

Similarity

N/A

ID: 78062

tert-butyl 6-amino-1H-indazole-1-carboxylate

$$$$ Data More

M. F.

C12H15N3O2

Suppliers	Catalog Number
Alfa Aesar	H32010
Apollo Scientific	OR17051
Bide Pharmatech	BD28069

Database	Data ID
PubChem	12018607

M. W.

233.2664

CAS

219503-81-8

Similarity

N/A

ID: 78063

5-iodo-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one

$$$$ Data

M. F.

C6H4IN3O

Suppliers	Catalog Number
Apollo Scientific	OR17053

Database	Data ID
PubChem	10890644

M. W.

261.01993

CAS

135352-71-5

Similarity

N/A

ID: 78064

5-iodo-7H-pyrrolo[2,3-d]pyrimidin-4-amine

$$$$ Data

M. F.

C6H5IN4

Suppliers	Catalog Number
Apollo Scientific	OR17054

Database	Data ID
PubChem	9856490

M. W.

260.03517

CAS

Similarity

N/A

ID: 78065

2-(methylsulfanyl)-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one

$$$$ Data

M. F.

C7H7N3OS

Suppliers	Catalog Number
Apollo Scientific	OR17056

Database	Data ID
PubChem	276402

M. W.

181.21498

CAS

Similarity

N/A

ID: 78066

2-sulfanyl-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one

$$$$ Data

M. F.

C6H5N3OS

Suppliers	Catalog Number
Apollo Scientific	OR17057
TRC	D201700

Database	Data ID
PubChem	4091939

M. W.

167.1884

CAS

67831-84-9

Similarity

N/A

ID: 78067

4-methyl-7H-pyrrolo[2,3-d]pyrimidine

$$$$ Data

M. F.

C7H7N3

Suppliers	Catalog Number
Apollo Scientific	OR17060

Database	Data ID
PubChem	51341959

M. W.

133.15058

CAS

Similarity

N/A

ID: 78068

2-amino-5-(4-iodophenyl)-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one

$$$$ Data

M. F.

C12H9IN4O

Suppliers	Catalog Number
Apollo Scientific	OR17062

Database	Data ID
PubChem	51341941

M. W.

352.13053

CAS

Similarity

N/A

ID: 78069

4-chloro-5-(4-iodophenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine

$$$$ Data

M. F.

C12H8ClIN4

Suppliers	Catalog Number
Apollo Scientific	OR17063

Database	Data ID
PubChem	51341940

M. W.

370.57619

CAS

Similarity

N/A

ID: 78070

5-(4-iodophenyl)-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-2,4-dione

$$$$ Data

M. F.

C12H8IN3O2

Suppliers	Catalog Number
Apollo Scientific	OR17064

Database	Data ID
PubChem	51341960

M. W.

353.11529

CAS

Similarity

N/A

ID: 78071

quinoxalin-5-ylmethanol

$$$$ Data

M. F.

C9H8N2O

Suppliers	Catalog Number
Apollo Scientific	OR17068

Database	Data ID
PubChem	45121629

M. W.

160.17262

CAS

Similarity

N/A

ID: 78072

quinoxalin-5-ylmethanamine

$$$$ Data

M. F.

C9H9N3

Suppliers	Catalog Number
Apollo Scientific	OR17069

Database	Data ID
PubChem	45121727

M. W.

159.18786

CAS

Similarity

N/A

ID: 78073

1H-1,3-benzodiazole-4-carbaldehyde

$$$$ Data

M. F.

C8H6N2O

Suppliers	Catalog Number
Apollo Scientific	OR17070

Database	Data ID
PubChem	22663482

M. W.

146.14604

CAS

144876-36-8

Similarity

N/A

ID: 78074

1H-1,3-benzodiazol-4-ylmethanol

$$$$ Data

M. F.

C8H8N2O

Suppliers	Catalog Number
Apollo Scientific	OR17072

Database	Data ID
PubChem	22482486

M. W.

148.16192

CAS

65658-13-1

Similarity

N/A

ID: 78075

tert-butyl 3,5-dibromo-1H-indole-1-carboxylate

$$$$ Data

M. F.

C13H13Br2NO2

Suppliers	Catalog Number
Apollo Scientific	OR1708

Database	Data ID
PubChem	40428548

M. W.

375.05582

CAS

Similarity

N/A

ID: 78076

ethene

$$$$ Data

M. F.

C2H4

Suppliers	Catalog Number
Sigma Aldrich	536164 295329 321281 (more...)
Alfa Aesar	43951 42607 A10239 (more...)
Apollo Scientific	OR1710

Database	Data ID
Wikipedia	Ethylene
PubChem	6325

M. W.

28.05316

CAS

9002-88-4

Similarity

N/A

ID: 78077

(3-hydroxy-4-methylphenyl)boronic acid

$$$$ Data

M. F.

C7H9BO3

Suppliers	Catalog Number
Apollo Scientific	OR17103
A&J Pharmtech	AJA-O40347

Database	Data ID
PubChem	4187664

M. W.

151.95556

CAS

216019-35-1

Similarity

N/A

ID: 78078

2-bromo-6-methylpyridin-4-amine

$$$$ Data

M. F.

C6H7BrN2

Suppliers	Catalog Number
Apollo Scientific	OR17104
A&J Pharmtech	AJA-O36664

Database	Data ID
PubChem	12643710

M. W.

187.03718

CAS

79055-59-7

Similarity

N/A

ID: 78079

4-bromo-2,3-dimethylaniline hydrochloride

$$$$ Data

M. F.

C8H11BrClN

Suppliers	Catalog Number
Apollo Scientific	OR17105

Database	Data ID
PubChem	51341954

M. W.

236.53664

CAS

Similarity

N/A

ID: 78080

(2R)-N,N-dimethylpyrrolidine-2-carboxamide

$$$$ Data

M. F.

C7H14N2O

Suppliers	Catalog Number
Apollo Scientific	OR17106

Database	Data ID
PubChem	7021808

M. W.

142.19886

CAS

29802-22-0

Similarity

N/A

ID: 78081

tert-butyl 5-bromo-3-iodo-1H-indole-1-carboxylate

$$$$ Data

M. F.

C13H13BrINO2

Suppliers	Catalog Number
Apollo Scientific	OR1711

Database	Data ID
PubChem	17749978

M. W.

422.05629

CAS

Similarity

N/A

ID: 78082

tert-butyl 3-iodo-5-methoxy-1H-indole-1-carboxylate

$$$$ Data

M. F.

C14H16INO3

Suppliers	Catalog Number
Apollo Scientific	OR1713
Bide Pharmatech	BD87487

Database	Data ID
PubChem	10690715

M. W.

373.18621

CAS

192189-10-9

Similarity

N/A

ID: 78083

tert-butyl 3-bromo-5-methyl-1H-indole-1-carboxylate

$$$$ Data

M. F.

C14H16BrNO2

Suppliers	Catalog Number
Apollo Scientific	OR1714

Database	Data ID
PubChem	40428549

M. W.

310.18634

CAS

Similarity

N/A

ID: 78084

tert-butyl 3-iodo-5-methyl-1H-indole-1-carboxylate

$$$$ Data

M. F.

C14H16INO2

Suppliers	Catalog Number
Apollo Scientific	OR1715

Database	Data ID
PubChem	40428550

M. W.

357.18681

CAS

Similarity

N/A

ID: 78085

tert-butyl 3-bromo-5-cyano-1H-indole-1-carboxylate

$$$$ Data

M. F.

C14H13BrN2O2

Suppliers	Catalog Number
Apollo Scientific	OR1716

Database	Data ID
PubChem	40428551

M. W.

321.16922

CAS

348640-12-0

Similarity

N/A

ID: 78086

tert-butyl 5-cyano-3-iodo-1H-indole-1-carboxylate

$$$$ Data

M. F.

C14H13IN2O2

Suppliers	Catalog Number
Apollo Scientific	OR1717
Bide Pharmatech	BD103746
A&J Pharmtech	AJA-O10653

Database	Data ID
PubChem	17749979

M. W.

368.16969

CAS

864685-26-7

Similarity

N/A

ID: 78087

tert-butyl 4-(benzyloxy)-3-bromo-1H-indole-1-carboxylate

$$$$ Data

M. F.

C20H20BrNO3

Suppliers	Catalog Number
Apollo Scientific	OR1718

Database	Data ID
PubChem	40428552

M. W.

402.2817

CAS

Similarity

N/A

ID: 78088

tert-butyl 4-(benzyloxy)-3-iodo-1H-indole-1-carboxylate

$$$$ Data

M. F.

C20H20INO3

Suppliers	Catalog Number
Apollo Scientific	OR1719

Database	Data ID
PubChem	40428553

M. W.

449.28217

CAS

Similarity

N/A

ID: 78089

4-chloro-2-iodo-6-methylphenol

$$$$ Data

M. F.

C7H6ClIO

Suppliers	Catalog Number
Apollo Scientific	OR17198

Database	Data ID
PubChem	51341935

M. W.

268.47941

CAS

Similarity

N/A

ID: 78090

ethyl 2-chloro-2-oxoacetate

$$$$ Data More

M. F.

C4H5ClO3

Suppliers	Catalog Number
Sigma Aldrich	E43101 75753
Alfa Aesar	A14653
Apollo Scientific	OR17200

Database	Data ID
PubChem	20884

M. W.

136.5337

CAS

4755-77-5

Similarity

N/A

ID: 78091

quinoxalin-5-amine

$$$$ Data

M. F.

C8H7N3

Suppliers	Catalog Number
Apollo Scientific	OR17202
A&J Pharmtech	AJA-O35285

Database	Data ID
PubChem	85494

M. W.

145.16128

CAS

16566-20-4

Similarity

N/A

ID: 78092

5-bromoquinoxaline

$$$$ Data

M. F.

C8H5BrN2

Suppliers	Catalog Number
Apollo Scientific	OR17203
Bide Pharmatech	BD103125

Database	Data ID
PubChem	610437

M. W.

209.0427

CAS

76982-23-5

Similarity

N/A

ID: 78093

4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

$$$$ Data

M. F.

C11H17BN2O2

Suppliers	Catalog Number
Apollo Scientific	OR17204
A&J Pharmtech	AJA-O22059

Database	Data ID
PubChem	45785707

M. W.

220.07588

CAS

1195995-72-2

Similarity

N/A

ID: 78094

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

$$$$ Data

M. F.

C19H21BN2O2

Suppliers	Catalog Number
Apollo Scientific	OR17205

Database	Data ID
PubChem	51341952

M. W.

320.19324

CAS

Similarity

N/A

ID: 78095

2-chloro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

$$$$ Data

M. F.

C10H14BClN2O2

Suppliers	Catalog Number
Apollo Scientific	OR17206
Bide Pharmatech	BD215169

Database	Data ID
PubChem	51341943

M. W.

240.49436

CAS

1003845-08-6

Similarity

N/A

ID: 78096

1-{[2-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}-1H-pyrazole

$$$$ Data

M. F.

C16H21BN2O2

Suppliers	Catalog Number
Apollo Scientific	OR17207

Database	Data ID
PubChem	12089522

M. W.

284.16114

CAS

Similarity

N/A

ID: 78097

2,2-dimethoxypropane

$$$$ Data More

M. F.

C5H12O2

Suppliers	Catalog Number
Sigma Aldrich	73137 00660 D136808 (more...)
MP Biomedicals	05205400
Alfa Aesar	A13810

Database	Data ID
Wikipedia	2,2-Dimethoxypropane
PubChem	6495

M. W.

104.14758

CAS

77-76-9

Similarity

N/A

ID: 78098

tert-butyl 5-(benzyloxy)-3-bromo-1H-indole-1-carboxylate

$$$$ Data

M. F.

C20H20BrNO3

Suppliers	Catalog Number
Apollo Scientific	OR1721

Database	Data ID
PubChem	40428554

M. W.

402.2817

CAS

914349-28-3

Similarity

N/A

ID: 78099

tert-butyl 5-(benzyloxy)-3-iodo-1H-indole-1-carboxylate

$$$$ Data

M. F.

C20H20INO3

Suppliers	Catalog Number
Apollo Scientific	OR1722

Database	Data ID
PubChem	40428555

M. W.

449.28217

CAS

Similarity

N/A

ID: 78100

tert-butyl 6-(benzyloxy)-3-iodo-1H-indole-1-carboxylate

$$$$ Data

M. F.

C20H20INO3

Suppliers	Catalog Number
Apollo Scientific	OR1724

Database	Data ID
PubChem	40428556

M. W.

449.28217

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