Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C9H17NO2

Suppliers	Catalog Number
Matrix Scientific	020990

Database	Data ID
PubChem	6487605

M. W.

171.23678

CAS

Similarity

N/A

ID: 18802

1-(1-propylpiperidin-4-yl)piperidine-4-carboxylic acid dihydrochloride

$$$$ Data

M. F.

C14H28Cl2N2O2

Suppliers	Catalog Number
Matrix Scientific	020991

Database	Data ID
PubChem	45075184

M. W.

327.29032

CAS

Similarity

N/A

ID: 18803

6,8-dimethyl-4-oxo-4H-chromene-2-carboxylic acid

$$$$ Data

M. F.

C12H10O4

Suppliers	Catalog Number
Matrix Scientific	020992

Database	Data ID
PubChem	2758554

M. W.

218.2054

CAS

Similarity

N/A

ID: 18804

[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl](methyl)amine dihydrochloride

$$$$ Data

M. F.

C8H17Cl2N3

Suppliers	Catalog Number
Matrix Scientific	020996

Database	Data ID
PubChem	45075185

M. W.

226.14668

CAS

Similarity

N/A

ID: 18805

[2-(1H-imidazol-1-yl)ethyl](methyl)amine dihydrochloride

$$$$ Data

M. F.

C6H13Cl2N3

Suppliers	Catalog Number
Matrix Scientific	020997

Database	Data ID
PubChem	45075186

M. W.

198.09352

CAS

Similarity

N/A

ID: 18806

1-[2-(dimethylamino)ethyl]piperidine-4-carboxylic acid dihydrochloride

$$$$ Data

M. F.

C10H22Cl2N2O2

Suppliers	Catalog Number
Matrix Scientific	020998

Database	Data ID
PubChem	45075187

M. W.

273.19988

CAS

Similarity

N/A

ID: 18807

3,4-dihydro-1H-2-benzopyran-1-ylmethanamine hydrochloride

$$$$ Data

M. F.

C10H14ClNO

Suppliers	Catalog Number
Matrix Scientific	020999
InterBioScreen	BB_SC-2761
Enamine	EN300-76182

Database	Data ID
PubChem	44658136

M. W.

199.67726

CAS

Similarity

N/A

ID: 18808

3-(2-ethyl-1H-imidazol-1-yl)propan-1-amine

$$$$ Data

M. F.

C8H15N3

Suppliers	Catalog Number
ChemBridge	4004492
Matrix Scientific	021000

Database	Data ID
PubChem	6484134

M. W.

153.2248

CAS

2258-24-4

Similarity

N/A

ID: 18809

methyl[2-phenyl-2-(piperidin-1-yl)ethyl]amine

$$$$ Data

M. F.

C14H22N2

Suppliers	Catalog Number
Matrix Scientific	021001

Database	Data ID
PubChem	45075188

M. W.

218.33788

CAS

Similarity

N/A

ID: 18810

2-[(3-methylpiperidin-1-yl)sulfonyl]ethan-1-amine; oxalic acid

$$$$ Data

M. F.

C10H20N2O6S

Suppliers	Catalog Number
Matrix Scientific	021002

Database	Data ID
PubChem	45075189

M. W.

296.3406

CAS

Similarity

N/A

ID: 18811

[4-(4-fluorophenyl)oxan-4-yl]methanamine

$$$$ Data More

M. F.

C12H16FNO

Suppliers	Catalog Number
Matrix Scientific	021003
Life Chemicals	F2189-0456
Enamine	EN300-54048

Database	Data ID
PubChem	6484227

M. W.

209.2599432

CAS

889939-79-1

Similarity

N/A

ID: 18812

4-(4-fluorophenyl)oxane-4-carboxylic acid

$$$$ Data More

M. F.

C12H13FO3

Suppliers	Catalog Number
ChemBridge	4014951
Matrix Scientific	021004
Enamine	EN300-54507

Database	Data ID
PubChem	6484229

M. W.

224.2282232

CAS

473706-11-5

Similarity

N/A

ID: 18813

4-methyl-2-(piperidin-1-yl)-1,3-thiazole-5-carbaldehyde

$$$$ Data

M. F.

C10H14N2OS

Suppliers	Catalog Number
Matrix Scientific	021005
Enamine	EN300-06824

Database	Data ID
PubChem	2402636

M. W.

210.29596

CAS

Similarity

N/A

ID: 18814

3-[methyl(1-methylpiperidin-4-yl)amino]propanoic acid

$$$$ Data

M. F.

C10H20N2O2

Suppliers	Catalog Number
Matrix Scientific	021006

Database	Data ID
PubChem	6484246

M. W.

200.278

CAS

Similarity

N/A

ID: 18815

(1-methyl-1H-pyrazol-4-yl)methanamine dihydrochloride

$$$$ Data

M. F.

C5H11Cl2N3

Suppliers	Catalog Number
Matrix Scientific	021007

Database	Data ID
PubChem	45075190

M. W.

184.06694

CAS

Similarity

N/A

ID: 18816

(1-methyl-1H-pyrazol-5-yl)methanamine dihydrochloride

$$$$ Data

M. F.

C5H11Cl2N3

Suppliers	Catalog Number
Matrix Scientific	021008

Database	Data ID
PubChem	46735537

M. W.

184.06694

CAS

Similarity

N/A

ID: 18817

2-chloro-1-(3,4-difluorophenyl)ethan-1-one

$$$$ Data More

M. F.

C8H5ClF2O

Suppliers	Catalog Number
Matrix Scientific	021009
Apollo Scientific	PC4366
Enamine	EN300-01950

Database	Data ID
PubChem	2392321

M. W.

190.5745064

CAS

51336-95-9

Similarity

N/A

ID: 18818

[1-(2-phenylethyl)pyrrolidin-3-yl]methanamine

$$$$ Data

M. F.

C13H20N2

Suppliers	Catalog Number
Matrix Scientific	021010
Enamine	EN300-59687

Database	Data ID
PubChem	2979996

M. W.

204.3113

CAS

Similarity

N/A

ID: 18819

[1-(1-phenylethyl)pyrrolidin-3-yl]methanamine

$$$$ Data

M. F.

C13H20N2

Suppliers	Catalog Number
Matrix Scientific	021011

Database	Data ID
PubChem	2980506

M. W.

204.3113

CAS

Similarity

N/A

ID: 18820

2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid

$$$$ Data

M. F.

C8H12N2O4

Suppliers	Catalog Number
Matrix Scientific	021012
Enamine	EN300-09483

Database	Data ID
PubChem	3860988

M. W.

200.19188

CAS

Similarity

N/A

ID: 18821

(1S)-1-[5-(methylsulfanyl)-1,3,4-oxadiazol-2-yl]-2-phenylethan-1-amine

$$$$ Data

M. F.

C11H13N3OS

Suppliers	Catalog Number
Matrix Scientific	021013

Database	Data ID
PubChem	663070

M. W.

235.30542

CAS

Similarity

N/A

ID: 18822

5-tert-butyl-4H-1,2,4-triazol-3-amine

$$$$ Data

M. F.

C6H12N4

Suppliers	Catalog Number
Matrix Scientific	021014
A&J Pharmtech	AJA-O32132

Database	Data ID
PubChem	3816620

M. W.

140.18628

CAS

202403-45-0

Similarity

N/A

ID: 18823

[1-(4-methylphenyl)cyclopropyl]methanamine

$$$$ Data

M. F.

C11H15N

Suppliers	Catalog Number
Matrix Scientific	021015

Database	Data ID
PubChem	18524060

M. W.

161.2435

CAS

Similarity

N/A

ID: 18824

2-(1-methylpiperazin-2-yl)ethan-1-ol

$$$$ Data

M. F.

C7H16N2O

Suppliers	Catalog Number
ChemBridge	4016236 55014586
Matrix Scientific	021016

Database	Data ID
PubChem	6484682

M. W.

144.21474

CAS

889939-92-8

Similarity

N/A

ID: 18825

2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid

$$$$ Data

M. F.

C9H9F3N2O2

Suppliers	Catalog Number
Matrix Scientific	021017
Enamine	EN300-83605

Database	Data ID
PubChem	6485414

M. W.

234.1751696

CAS

957487-30-8

Similarity

N/A

ID: 18826

2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid

$$$$ Data

M. F.

C10H11F3N2O2

Suppliers	Catalog Number
Matrix Scientific	021018
Enamine	EN300-83608

Database	Data ID
PubChem	6485415

M. W.

248.2017496

CAS

Similarity

N/A

ID: 18827

3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethanamine

$$$$ Data More

M. F.

C10H13NO2

Suppliers	Catalog Number
ChemBridge	4032035
Matrix Scientific	021019
Maybridge	CC13213

Database	Data ID
PubChem	2795295

M. W.

179.21572

CAS

23475-00-5

Similarity

N/A

ID: 18828

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-chloroacetamide

$$$$ Data

M. F.

C9H13ClN2O2

Suppliers	Catalog Number
Matrix Scientific	021022
Enamine	EN300-13315

Database	Data ID
PubChem	4962364

M. W.

216.66472

CAS

Similarity

N/A

ID: 18829

methyl[(5-phenyl-1,2-oxazol-3-yl)methyl]amine

$$$$ Data More

M. F.

C11H12N2O

Suppliers	Catalog Number
ChemBridge	4101201
Matrix Scientific	021024
Maybridge	CC30546

Database	Data ID
PubChem	5200314

M. W.

188.22578

CAS

852431-02-8

Similarity

N/A

ID: 18830

3-(3,4-dihydro-2H-1-benzopyran-6-yl)propanoic acid

$$$$ Data

M. F.

C12H14O3

Suppliers	Catalog Number
Matrix Scientific	021025

Database	Data ID
PubChem	6504214

M. W.

206.23776

CAS

Similarity

N/A

ID: 18831

3,4-dihydro-2H-1-benzopyran-6-carbaldehyde

$$$$ Data

M. F.

C10H10O2

Suppliers	Catalog Number
Matrix Scientific	021026
Maybridge	CC32804
Apollo Scientific	OR45040

Database	Data ID
PubChem	6504215

M. W.

162.1852

CAS

55745-97-6

Similarity

N/A

ID: 18832

3,4-dihydro-2H-1-benzopyran-6-carboxylic acid

$$$$ Data More

M. F.

C10H10O3

Suppliers	Catalog Number
ChemBridge	4017189
Matrix Scientific	021027
Maybridge	CC32801

Database	Data ID
PubChem	6504216

M. W.

178.1846

CAS

103203-84-5

Similarity

N/A

ID: 18833

2-chloro-1-(3,4-dihydro-2H-1-benzopyran-6-yl)ethan-1-one

$$$$ Data

M. F.

C11H11ClO2

Suppliers	Catalog Number
Matrix Scientific	021028

Database	Data ID
PubChem	6504217

M. W.

210.65684

CAS

Similarity

N/A

ID: 18834

2-(morpholin-4-yl)-2-(thiophen-2-yl)ethan-1-amine

$$$$ Data

M. F.

C10H16N2OS

Suppliers	Catalog Number
Matrix Scientific	021029
Enamine	EN300-02561

Database	Data ID
PubChem	3815310

M. W.

212.31184

CAS

Similarity

N/A

ID: 18835

3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)propanoic acid

$$$$ Data More

M. F.

C7H8N2O4

Suppliers	Catalog Number
Sigma Aldrich	CBR00556
ChemBridge	4014037
Matrix Scientific	021030

Database	Data ID
PubChem	96419

M. W.

184.14942

CAS

2950-82-5

Similarity

N/A

ID: 18836

N-(3-aminopropyl)-4-methoxy-N-methylaniline

$$$$ Data

M. F.

C11H18N2O

Suppliers	Catalog Number
Matrix Scientific	021033

Database	Data ID
PubChem	6504249

M. W.

194.27342

CAS

889939-87-1

Similarity

N/A

ID: 18837

2-methoxyquinoline-3-carbaldehyde

$$$$ Data

M. F.

C11H9NO2

Suppliers	Catalog Number
ChemBridge	4013435
Matrix Scientific	021034
Enamine	EN300-27306

Database	Data ID
PubChem	838868

M. W.

187.19466

CAS

139549-06-7

Similarity

N/A

ID: 18838

2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

$$$$ Data

M. F.

C9H11NO2S

Suppliers	Catalog Number
Matrix Scientific	021036
Bide Pharmatech	BD211838

Database	Data ID
PubChem	3108410

M. W.

197.25414

CAS

5936-58-3

Similarity

N/A

ID: 18839

5-bromo-2-nitropyridine

$$$$ Data More

M. F.

C5H3BrN2O2

Suppliers	Catalog Number
Sigma Aldrich	520411
Alfa Aesar	L19748
Matrix Scientific	021038

Database	Data ID
PubChem	817620

M. W.

202.99352

CAS

39856-50-3

Similarity

N/A

ID: 18840

2-chlorobenzene-1-sulfonamide

$$$$ Data More

M. F.

C6H6ClNO2S

Suppliers	Catalog Number
Sigma Aldrich	538450
Alfa Aesar	L09082
Matrix Scientific	021039

Database	Data ID
PubChem	81410

M. W.

191.63534

CAS

6961-82-6

Similarity

N/A

ID: 18841

1-fluoro-4-[(trifluoromethyl)sulfanyl]benzene

$$$$ Data

M. F.

C7H4F4S

Suppliers	Catalog Number
Alfa Aesar	L12485
Matrix Scientific	021040
Apollo Scientific	PC4176

Database	Data ID
PubChem	136758

M. W.

196.1652728

CAS

940-76-1

Similarity

N/A

ID: 18842

4-methoxybenzene-1-sulfonohydrazide

$$$$ Data

M. F.

C7H10N2O3S

Suppliers	Catalog Number
Sigma Aldrich	405906
Matrix Scientific	021041

Database	Data ID
PubChem	74766

M. W.

202.2309

CAS

1950-68-1

Similarity

N/A

ID: 18843

5-bromo-2-fluorophenol

$$$$ Data More

M. F.

C6H4BrFO

Suppliers	Catalog Number
Matrix Scientific	021042
Apollo Scientific	PC2914
Chemik	CHB83851

Database	Data ID
PubChem	183421

M. W.

190.9977632

CAS

112204-58-7

Similarity

N/A

ID: 18844

5-fluoro-2-methylbenzonitrile

$$$$ Data More

M. F.

C8H6FN

Suppliers	Catalog Number
Sigma Aldrich	364916
Alfa Aesar	A13061
Matrix Scientific	021043

Database	Data ID
PubChem	522668

M. W.

135.1383432

CAS

77532-79-7

Similarity

N/A

ID: 18845

2-bromo-5-(trifluoromethyl)benzonitrile

$$$$ Data More

M. F.

C8H3BrF3N

Suppliers	Catalog Number
Matrix Scientific	021044
Apollo Scientific	PC2479
Chemik	CHB27333

Database	Data ID
PubChem	12223980

M. W.

250.0153296

CAS

1483-55-2

Similarity

N/A

ID: 18846

3,5-dichloro-6-methylpyridin-2-amine

$$$$ Data

M. F.

C6H6Cl2N2

Suppliers	Catalog Number
Matrix Scientific	021045
Enamine	EN300-04609
Bide Pharmatech	BD41467

Database	Data ID
PubChem	1415863

M. W.

177.03124

CAS

22137-52-6

Similarity

N/A

ID: 18847

5-chloropentanenitrile

$$$$ Data More

M. F.

C5H8ClN

Suppliers	Catalog Number
Sigma Aldrich	C73001 26590
Alfa Aesar	L01413
Matrix Scientific	021046

Database	Data ID
PubChem	80474

M. W.

117.57672

CAS

6280-87-1

Similarity

N/A

ID: 18848

1-(bromomethyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene

$$$$ Data

M. F.

C8H2BrF7

Suppliers	Catalog Number
Sigma Aldrich	406406
Matrix Scientific	021047
Apollo Scientific	PC5749

Database	Data ID
PubChem	127137

M. W.

310.9943024

CAS

76437-40-6

Similarity

N/A

ID: 18849

1-(bromomethyl)-2-chloro-4-methoxybenzene

$$$$ Data

M. F.

C8H8BrClO

Suppliers	Catalog Number
Matrix Scientific	021048
A&J Pharmtech	AJA-O10174

Database	Data ID
PubChem	22327428

M. W.

235.50552

CAS

54788-17-9

Similarity

N/A

ID: 18850

2-(2-chloro-4-methoxyphenyl)acetonitrile

$$$$ Data

M. F.

C9H8ClNO

Suppliers	Catalog Number
Alfa Aesar	H26021
Matrix Scientific	021049

Database	Data ID
PubChem	22327506

M. W.

181.61892

CAS

170737-93-6

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