Chembase list of 866358 unique molecular structures

N-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)benzamide

$$$$ Data

M. F.

C20H21BF3NO3

Suppliers	Catalog Number
Alfa Aesar	H32372
Matrix Scientific	076953
Key Organics	BS-2002

Database	Data ID
PubChem	45588193

M. W.

391.1918496

CAS

1225069-85-1

Similarity

N/A

ID: 71352

2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrimidin-4-one

$$$$ Data

M. F.

C11H7F3N2O

Suppliers	Catalog Number
Matrix Scientific	076954
Key Organics	EG-0091

Database	Data ID
PubChem	14685602

M. W.

240.1812896

CAS

125903-84-6

Similarity

N/A

ID: 71353

(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)boronic acid

$$$$ Data More

M. F.

C4H5BN2O4

Suppliers	Catalog Number
Alfa Aesar	H27219
Matrix Scientific	076955
Key Organics	BS-2097

Database	Data ID
PubChem	256205

M. W.

155.9045

CAS

70523-22-7

Similarity

N/A

ID: 71354

(2-hydroxypyrimidin-5-yl)boronic acid

$$$$ Data

M. F.

C4H5BN2O3

Suppliers	Catalog Number
Matrix Scientific	076956
Key Organics	BS-2061
A&J Pharmtech	AJA-O24312

Database	Data ID
PubChem	17750423

M. W.

139.9051

CAS

373384-19-1

Similarity

N/A

ID: 71355

5-chloro-2-methylpyridine

$$$$ Data

M. F.

C6H6ClN

Suppliers	Catalog Number
Matrix Scientific	076958
A&J Pharmtech	AJA-O33541

Database	Data ID
PubChem	2762869

M. W.

127.57154

CAS

72093-07-3

Similarity

N/A

ID: 71356

3-fluoro-4-hydroxy-5-methoxybenzaldehyde

$$$$ Data More

M. F.

C8H7FO3

Suppliers	Catalog Number
Sigma Aldrich	526819
Matrix Scientific	076959
Apollo Scientific	PC0941

Database	Data ID
PubChem	598452

M. W.

170.1377832

CAS

79418-78-3

Similarity

N/A

ID: 71357

2,4-difluorobenzene-1,3-diol

$$$$ Data

M. F.

C6H4F2O2

Suppliers	Catalog Number
Sigma Aldrich	687421
Matrix Scientific	076960

Database	Data ID
PubChem	10844515

M. W.

146.0915664

CAS

195136-71-1

Similarity

N/A

ID: 71358

3,4-dichlorobenzene-1-sulfonamide

$$$$ Data

M. F.

C6H5Cl2NO2S

Suppliers	Catalog Number
Matrix Scientific	076961
Life Chemicals	F1084-0743

Database	Data ID
PubChem	233097

M. W.

226.0804

CAS

23815-28-3

Similarity

N/A

ID: 71359

3,5-difluoro-4-(trifluoromethyl)pyridine

$$$$ Data

M. F.

C6H2F5N

Suppliers	Catalog Number
Matrix Scientific	076962

Database	Data ID
PubChem	71299220

M. W.

183.078796

CAS

Similarity

N/A

ID: 71360

methyl 4-amino-3-(trifluoromethoxy)benzoate

$$$$ Data

M. F.

C9H8F3NO3

Suppliers	Catalog Number
Matrix Scientific	076963

Database	Data ID
PubChem	53419671

M. W.

235.1599296

CAS

457097-93-7

Similarity

N/A

ID: 71361

ethyl 4-amino-3-(trifluoromethoxy)benzoate

$$$$ Data

M. F.

C10H10F3NO3

Suppliers	Catalog Number
Matrix Scientific	076964

Database	Data ID
PubChem	53419483

M. W.

249.1865096

CAS

1260742-02-6

Similarity

N/A

ID: 71362

2-(6-fluoro-1H-indol-3-yl)ethan-1-amine hydrochloride

$$$$ Data More

M. F.

C10H12ClFN2

Suppliers	Catalog Number
Sigma Aldrich	F7251 860255
MP Biomedicals	02158154
Matrix Scientific	076965

Database	Data ID
PubChem	3085078

M. W.

214.6670832

CAS

55206-24-1

Similarity

N/A

ID: 71363

ethyl 5,5-difluoro-2-oxocyclohexane-1-carboxylate

$$$$ Data

M. F.

C9H12F2O3

Suppliers	Catalog Number
Matrix Scientific	076966

Database	Data ID
PubChem	53362434

M. W.

206.1865864

CAS

22515-17-9

Similarity

N/A

ID: 71364

2,4-difluoro-5-iodobenzoic acid

$$$$ Data

M. F.

C7H3F2IO2

Suppliers	Catalog Number
Matrix Scientific	076967
Apollo Scientific	PC51099
Enamine	EN300-113688

Database	Data ID
PubChem	11129795

M. W.

283.9987964

CAS

161531-51-7

Similarity

N/A

ID: 71365

1,3-benzoxazol-2-ol

$$$$ Data

M. F.

C7H5NO2

Suppliers	Catalog Number
Matrix Scientific	076968
Bide Pharmatech	BD21670
A&J Pharmtech	AJA-O12984

Database	Data ID
PubChem	6043

M. W.

135.1201

CAS

59-49-4

Similarity

N/A

ID: 71366

2-chloro-3-(trifluoromethoxy)pyridine

$$$$ Data

M. F.

C6H3ClF3NO

Suppliers	Catalog Number
Matrix Scientific	076969

Database	Data ID
PubChem	49871751

M. W.

197.5423296

CAS

1206980-39-3

Similarity

N/A

ID: 71367

4,6-dichloro-3-methylpyridazine

$$$$ Data

M. F.

C5H4Cl2N2

Suppliers	Catalog Number
Matrix Scientific	076970

Database	Data ID
PubChem	58717049

M. W.

163.00466

CAS

68240-43-7

Similarity

N/A

ID: 71368

5-(3,5-dicarboxyphenyl)benzene-1,3-dicarboxylic acid

$$$$ Data

M. F.

C16H10O8

Suppliers	Catalog Number
Sigma Aldrich	720968
Matrix Scientific	076971

Database	Data ID
PubChem	15840397

M. W.

330.2458

CAS

4371-28-2

Similarity

N/A

ID: 71369

7-oxabicyclo[4.1.0]heptan-2-one

$$$$ Data

M. F.

C6H8O2

Suppliers	Catalog Number
Sigma Aldrich	414522
Matrix Scientific	076972

Database	Data ID
PubChem	100030

M. W.

112.12652

CAS

6705-49-3

Similarity

N/A

ID: 71370

3-chloro-4-(trifluoromethyl)pyridin-2-ol

$$$$ Data

M. F.

C6H3ClF3NO

Suppliers	Catalog Number
Matrix Scientific	076973

Database	Data ID
PubChem	53817088

M. W.

197.5423296

CAS

1227602-53-0

Similarity

N/A

ID: 71371

3-fluoro-4-(trifluoromethyl)pyridin-2-ol

$$$$ Data

M. F.

C6H3F4NO

Suppliers	Catalog Number
Matrix Scientific	076974

Database	Data ID
PubChem	53435090

M. W.

181.0877328

CAS

1227594-89-9

Similarity

N/A

ID: 71372

3-bromo-4-(trifluoromethyl)pyridin-2-ol

$$$$ Data

M. F.

C6H3BrF3NO

Suppliers	Catalog Number
Matrix Scientific	076975

Database	Data ID
PubChem	54246279

M. W.

241.9933296

CAS

1227591-86-7

Similarity

N/A

ID: 71373

5-bromo-6-chloropyridine-2-carboxylic acid

$$$$ Data

M. F.

C6H3BrClNO2

Suppliers	Catalog Number
Matrix Scientific	076978
Bide Pharmatech	BD215300

Database	Data ID
PubChem	44607714

M. W.

236.45052

CAS

959958-25-9

Similarity

N/A

ID: 71374

2-(3-fluoro-5-methoxyphenyl)acetonitrile

$$$$ Data

M. F.

C9H8FNO

Suppliers	Catalog Number
Matrix Scientific	076980
Apollo Scientific	PC2842
Bide Pharmatech	BD215469

Database	Data ID
PubChem	26985457

M. W.

165.1643232

CAS

914637-31-3

Similarity

N/A

ID: 71375

4-(3-fluoro-4-methoxyphenyl)pyridine

$$$$ Data

M. F.

C12H10FNO

Suppliers	Catalog Number
Matrix Scientific	076981

Database	Data ID
PubChem	11701239

M. W.

203.2123032

CAS

881419-06-3

Similarity

N/A

ID: 71376

3-chloro-2,5-difluoropyridine

$$$$ Data More

M. F.

C5H2ClF2N

Suppliers	Catalog Number
Alfa Aesar	H32640
Matrix Scientific	076982
Apollo Scientific	PC8011

Database	Data ID
PubChem	19371877

M. W.

149.5258864

CAS

851179-00-5

Similarity

N/A

ID: 71377

(6-chloro-2-methylpyridin-3-yl)boronic acid

$$$$ Data More

M. F.

C6H7BClNO2

Suppliers	Catalog Number
Alfa Aesar	H53165
Matrix Scientific	076983
Apollo Scientific	OR3622

Database	Data ID
PubChem	44119152

M. W.

171.38928

CAS

913836-15-4

Similarity

N/A

ID: 71378

6-bromo-5-chloropyridine-2-carboxylic acid

$$$$ Data

M. F.

C6H3BrClNO2

Suppliers	Catalog Number
Matrix Scientific	076984

Database	Data ID
PubChem	66557809

M. W.

236.45052

CAS

1214328-42-3

Similarity

N/A

ID: 71379

(3-chlorothiophen-2-yl)methanol

$$$$ Data

M. F.

C5H5ClOS

Suppliers	Catalog Number
Matrix Scientific	076988

Database	Data ID
PubChem	22134638

M. W.

148.6106

CAS

193602-41-4

Similarity

N/A

ID: 71380

2-amino-5-methyl-3-nitrobenzoic acid

$$$$ Data

M. F.

C8H8N2O4

Suppliers	Catalog Number
Matrix Scientific	076989
Enamine	EN300-67284

Database	Data ID
PubChem	231984

M. W.

196.16012

CAS

5465-34-9

Similarity

N/A

ID: 71381

4-amino-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide

$$$$ Data

M. F.

C3H5N5O2

Suppliers	Catalog Number
Matrix Scientific	076995
Key Organics	SS-4387

Database	Data ID
PubChem	5894992

M. W.

143.1041

CAS

13490-32-9

Similarity

N/A

ID: 71382

(2S)-3-amino-2-hydroxy-4-phenylbutanoic acid

$$$$ Data

M. F.

C10H13NO3

Suppliers	Catalog Number
Matrix Scientific	076996
Key Organics	SS-3011

Database	Data ID
PubChem	58788554

M. W.

195.21512

CAS

62023-62-5

Similarity

N/A

ID: 71383

(2S)-2-amino-3-methylbutan-1-ol hydrochloride

$$$$ Data

M. F.

C5H14ClNO

Suppliers	Catalog Number
Matrix Scientific	076997

Database	Data ID
PubChem	24802562

M. W.

139.62376

CAS

17016-89-6

Similarity

N/A

ID: 71384

5-amino-4-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

$$$$ Data

M. F.

C9H10N2O2

Suppliers	Catalog Number
Matrix Scientific	076998
Key Organics	FG-0714

Database	Data ID
PubChem	21644177

M. W.

178.1879

CAS

132522-83-9

Similarity

N/A

ID: 71385

2-amino-N-methyl-2-phenylacetamide

$$$$ Data More

M. F.

C9H12N2O

Suppliers	Catalog Number
ChemBridge	4034385
Matrix Scientific	076999
Key Organics	SS-3472

Database	Data ID
PubChem	14584872

M. W.

164.20438

CAS

93782-07-1

Similarity

N/A

ID: 71386

(2S)-3-amino-2-methylpropan-1-ol

$$$$ Data

M. F.

C4H11NO

Suppliers	Catalog Number
Matrix Scientific	077000

Database	Data ID
PubChem	640990

M. W.

89.13624

CAS

88586-62-3

Similarity

N/A

ID: 71387

O-[(benzyloxy)methyl]hydroxylamine

$$$$ Data

M. F.

C8H11NO2

Suppliers	Catalog Number
Matrix Scientific	077001
Key Organics	SS-4393

Database	Data ID
PubChem	40151768

M. W.

153.17844

CAS

895588-70-2

Similarity

N/A

ID: 71388

4,5-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolane

$$$$ Data

M. F.

C15H26O6

Suppliers	Catalog Number
Matrix Scientific	077002
Key Organics	SS-4330

Database	Data ID
PubChem	316522

M. W.

302.36334

CAS

1214702-92-7

Similarity

N/A

ID: 71389

4-bromo-3-chloro-1H-pyrrolo[2,3-b]pyridine

$$$$ Data

M. F.

C7H4BrClN2

Suppliers	Catalog Number
Matrix Scientific	077003
Key Organics	FG-0213
Bide Pharmatech	BD241512

Database	Data ID
PubChem	45790298

M. W.

231.47706

CAS

943323-92-0

Similarity

N/A

ID: 71390

6-bromo-1-cyclopentyl-1H,2H,3H-imidazo[4,5-b]pyridin-2-one

$$$$ Data

M. F.

C11H12BrN3O

Suppliers	Catalog Number
Matrix Scientific	077004
Key Organics	GG-0019

Database	Data ID
PubChem	71299221

M. W.

282.13648

CAS

Similarity

N/A

ID: 71391

5-bromo-3-N-cyclopentylpyridine-2,3-diamine

$$$$ Data

M. F.

C10H14BrN3

Suppliers	Catalog Number
Matrix Scientific	077005
Key Organics	FG-0063

Database	Data ID
PubChem	71299222

M. W.

256.14226

CAS

Similarity

N/A

ID: 71392

2-bromo-1-(diethoxymethyl)-4-fluorobenzene

$$$$ Data

M. F.

C11H14BrFO2

Suppliers	Catalog Number
Matrix Scientific	077006
Key Organics	SS-3534

Database	Data ID
PubChem	18357605

M. W.

277.1300632

CAS

Similarity

N/A

ID: 71393

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

$$$$ Data

M. F.

C8H8BrN3O

Suppliers	Catalog Number
Matrix Scientific	077007
Key Organics	FG-0716

Database	Data ID
PubChem	71299223

M. W.

242.07262

CAS

Similarity

N/A

ID: 71394

1-carbamoylcyclohexane-1-carboxylic acid

$$$$ Data

M. F.

C8H13NO3

Suppliers	Catalog Number
Matrix Scientific	077008
Key Organics	GG-0710

Database	Data ID
PubChem	19373196

M. W.

171.19372

CAS

137307-65-4

Similarity

N/A

ID: 71395

1-carbamoylcyclopentane-1-carboxylic acid

$$$$ Data

M. F.

C7H11NO3

Suppliers	Catalog Number
Matrix Scientific	077009
Key Organics	GG-0707

Database	Data ID
PubChem	19373201

M. W.

157.16714

CAS

Similarity

N/A

ID: 71396

1-carbamoylcyclopropane-1-carboxylic acid

$$$$ Data More

M. F.

C5H7NO3

Suppliers	Catalog Number
Sigma Aldrich	439517
Matrix Scientific	077010
Key Organics	GG-0709

Database	Data ID
PubChem	2733272

M. W.

129.11398

CAS

6914-74-5

Similarity

N/A

ID: 71397

2-chloro-1-methyl-5-nitro-1H-1,3-benzodiazole

$$$$ Data

M. F.

C8H6ClN3O2

Suppliers	Catalog Number
Matrix Scientific	077011
Key Organics	FG-0715

Database	Data ID
PubChem	10822391

M. W.

211.60514

CAS

15965-66-9

Similarity

N/A

ID: 71398

8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

$$$$ Data

M. F.

C7H4ClF3N4

Suppliers	Catalog Number
Matrix Scientific	077012
Key Organics	AG-0031

Database	Data ID
PubChem	67335834

M. W.

236.5816696

CAS

Similarity

N/A

ID: 71399

2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-1,3-benzodiazole

$$$$ Data

M. F.

C13H7ClF3N3

Suppliers	Catalog Number
Matrix Scientific	077013
Key Organics	FG-0027

Database	Data ID
PubChem	71299224

M. W.

297.6629896

CAS

Similarity

N/A

ID: 71400

3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}propane-1,2-diol

$$$$ Data

M. F.

C9H10ClF3N2O2

Suppliers	Catalog Number
Matrix Scientific	077014
Key Organics	MF-0049

Database	Data ID
PubChem	66175652

M. W.

270.6361096

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