Chembase list of 866358 unique molecular structures

4-[3-nitro-4-(piperidin-1-yl)phenyl]-1,2-dihydrophthalazin-1-one

$$$$ Data

M. F.

C19H18N4O3

Suppliers	Catalog Number
Matrix Scientific	071371
Key Organics	6Y-0815

Database	Data ID
PubChem	2797516

M. W.

350.37122

CAS

218144-45-7

Similarity

N/A

ID: 66002

(6-phenylpyridin-3-yl)methanol

$$$$ Data

M. F.

C12H11NO

Suppliers	Catalog Number
Matrix Scientific	071372
Key Organics	NF-0738
Maybridge	CC21109

Database	Data ID
PubChem	22254216

M. W.

185.22184

CAS

4634-09-7

Similarity

N/A

ID: 66003

(2S,3R)-3-phenylpyrrolidine-2-carboxylic acid hydrochloride

$$$$ Data

M. F.

C11H14ClNO2

Suppliers	Catalog Number
Matrix Scientific	071373
Key Organics	SS-4371
Apollo Scientific	OR61166

Database	Data ID
PubChem	66545219

M. W.

227.68736

CAS

Similarity

N/A

ID: 66004

1-(piperidin-4-yl)-1H,2H,3H-imidazo[4,5-b]pyridin-2-one dihydrochloride

$$$$ Data

M. F.

C11H16Cl2N4O

Suppliers	Catalog Number
Matrix Scientific	071374
Key Organics	BG-0075
Bide Pharmatech	BD247545

Database	Data ID
PubChem	22293181

M. W.

291.17694

CAS

781649-84-1

Similarity

N/A

ID: 66005

3-(propan-2-yl)-1,2-oxazol-5-amine

$$$$ Data More

M. F.

C6H10N2O

Suppliers	Catalog Number
ChemBridge	4027949
Matrix Scientific	071375
Key Organics	CG-0713

Database	Data ID
PubChem	2115208

M. W.

126.1564

CAS

88786-11-2

Similarity

N/A

ID: 66006

1-{1H-pyrrolo[2,3-b]pyridin-3-ylmethyl}piperidine

$$$$ Data

M. F.

C13H17N3

Suppliers	Catalog Number
Matrix Scientific	071376
Key Organics	CG-0215

Database	Data ID
PubChem	5371794

M. W.

215.29418

CAS

23616-64-0

Similarity

N/A

ID: 66007

(2S,4R)-1-[(tert-butoxy)carbonyl]-4-methylpyrrolidine-2-carboxylic acid

$$$$ Data

M. F.

C11H19NO4

Suppliers	Catalog Number
Matrix Scientific	071377
Key Organics	SS-4367
Apollo Scientific	OR61167

Database	Data ID
PubChem	10911346

M. W.

229.27286

CAS

364750-80-1

Similarity

N/A

ID: 66008

tert-butyl 4-{1H-pyrrolo[2,3-b]pyridin-3-ylmethyl}piperazine-1-carboxylate

$$$$ Data

M. F.

C17H24N4O2

Suppliers	Catalog Number
Matrix Scientific	071378
Key Organics	CG-0207

Database	Data ID
PubChem	49759073

M. W.

316.39806

CAS

Similarity

N/A

ID: 66009

tert-butyl 4-{1H-imidazo[4,5-b]pyridin-1-yl}piperidine-1-carboxylate

$$$$ Data

M. F.

C16H22N4O2

Suppliers	Catalog Number
Matrix Scientific	071379
Key Organics	BG-0087

Database	Data ID
PubChem	23562593

M. W.

302.37148

CAS

273757-37-2

Similarity

N/A

ID: 66010

2-(difluoromethyl)pyridine

$$$$ Data

M. F.

C6H5F2N

Suppliers	Catalog Number
Sigma Aldrich	733962
Matrix Scientific	071382

Database	Data ID
PubChem	639501

M. W.

129.1074064

CAS

114468-01-8

Similarity

N/A

ID: 66011

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

$$$$ Data

M. F.

C7H4BrF3

Suppliers	Catalog Number
Matrix Scientific	071383
Apollo Scientific	PC6822
Chemik	CHB54419

Database	Data ID
PubChem	2761161

M. W.

225.0058696

CAS

445303-69-5

Similarity

N/A

ID: 66012

5-bromo-2-(difluoromethyl)pyridine

$$$$ Data

M. F.

C6H4BrF2N

Suppliers	Catalog Number
Matrix Scientific	071384

Database	Data ID
PubChem	53415062

M. W.

208.0034664

CAS

845827-13-6

Similarity

N/A

ID: 66013

2-bromo-6-(difluoromethyl)pyridine

$$$$ Data

M. F.

C6H4BrF2N

Suppliers	Catalog Number
Matrix Scientific	071385

Database	Data ID
PubChem	10104489

M. W.

208.0034664

CAS

872365-91-8

Similarity

N/A

ID: 66014

2-chloro-3-(difluoromethyl)pyridine

$$$$ Data

M. F.

C6H4ClF2N

Suppliers	Catalog Number
Matrix Scientific	071386

Database	Data ID
PubChem	23160362

M. W.

163.5524664

CAS

865663-96-3

Similarity

N/A

ID: 66015

2-chloro-5-(difluoromethyl)pyridine

$$$$ Data

M. F.

C6H4ClF2N

Suppliers	Catalog Number
Matrix Scientific	071387

Database	Data ID
PubChem	23053241

M. W.

163.5524664

CAS

71701-99-0

Similarity

N/A

ID: 66016

4-(difluoromethyl)pyridine

$$$$ Data

M. F.

C6H5F2N

Suppliers	Catalog Number
Sigma Aldrich	733261
Matrix Scientific	071388

Database	Data ID
PubChem	640476

M. W.

129.1074064

CAS

82878-62-4

Similarity

N/A

ID: 66017

4-(difluoromethyl)-2,3-difluoropyridine

$$$$ Data

M. F.

C6H3F4N

Suppliers	Catalog Number
Matrix Scientific	071389

Database	Data ID
PubChem	60622998

M. W.

165.0883328

CAS

Similarity

N/A

ID: 66018

5-bromo-2-chloro-4-(difluoromethyl)pyridine

$$$$ Data

M. F.

C6H3BrClF2N

Suppliers	Catalog Number
Matrix Scientific	071390

Database	Data ID
PubChem	60623003

M. W.

242.4485264

CAS

Similarity

N/A

ID: 66019

2-bromo-4-(difluoromethyl)pyridine

$$$$ Data

M. F.

C6H4BrF2N

Suppliers	Catalog Number
Sigma Aldrich	733997
Matrix Scientific	071391

Database	Data ID
PubChem	45790950

M. W.

208.0034664

CAS

1204295-87-3

Similarity

N/A

ID: 66020

(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-methoxypropanoic acid; N-cyclohexylcyclo...

$$$$ Data

M. F.

C21H40N2O5

Suppliers	Catalog Number
Matrix Scientific	071393

Database	Data ID
PubChem	53487869

M. W.

400.5527

CAS

Similarity

N/A

ID: 66021

methyl 2-amino-6-fluoro-3-nitrobenzoate

$$$$ Data

M. F.

C8H7FN2O4

Suppliers	Catalog Number
Matrix Scientific	071414
Bide Pharmatech	BD223101

Database	Data ID
PubChem	21896800

M. W.

214.1505832

CAS

346691-23-4

Similarity

N/A

ID: 66022

3,5-dibromopyridine-4-carboxylic acid

$$$$ Data More

M. F.

C6H3Br2NO2

Suppliers	Catalog Number
Sigma Aldrich	721840
Matrix Scientific	071415
Bide Pharmatech	BD168782

Database	Data ID
PubChem	15322745

M. W.

280.90152

CAS

13958-91-3

Similarity

N/A

ID: 66023

5-amino-1-benzyl-1H-pyrrole-3-carbonitrile

$$$$ Data

M. F.

C12H11N3

Suppliers	Catalog Number
Matrix Scientific	071416
Key Organics	CG-0705

Database	Data ID
PubChem	5325262

M. W.

197.23584

CAS

Similarity

N/A

ID: 66024

2-(benzylamino)-2-methylpropanenitrile hydrochloride

$$$$ Data

M. F.

C11H15ClN2

Suppliers	Catalog Number
Matrix Scientific	071417
Key Organics	DG-0035

Database	Data ID
PubChem	13437415

M. W.

210.7032

CAS

Similarity

N/A

ID: 66025

9-benzyl-1,9-diazaspiro[5.5]undecane

$$$$ Data

M. F.

C16H24N2

Suppliers	Catalog Number
Matrix Scientific	071418
Key Organics	DE-0038

Database	Data ID
PubChem	25212930

M. W.

244.37516

CAS

1100748-66-0

Similarity

N/A

ID: 66026

1-benzyl-5,5-dimethylimidazolidin-2-one

$$$$ Data

M. F.

C12H16N2O

Suppliers	Catalog Number
Matrix Scientific	071419
Key Organics	DG-0042

Database	Data ID
PubChem	66545131

M. W.

204.26824

CAS

Similarity

N/A

ID: 66027

8-(benzyloxy)-3-chloroimidazo[1,2-a]pyridine

$$$$ Data

M. F.

C14H11ClN2O

Suppliers	Catalog Number
Matrix Scientific	071420
Key Organics	CG-0731

Database	Data ID
PubChem	66545109

M. W.

258.70294

CAS

Similarity

N/A

ID: 66028

3-bromo-1H-indole-2-carbonitrile

$$$$ Data

M. F.

C9H5BrN2

Suppliers	Catalog Number
Matrix Scientific	071421
Key Organics	CG-0723

Database	Data ID
PubChem	66545123

M. W.

221.0534

CAS

Similarity

N/A

ID: 66029

8-bromo-6-methoxy-3,4-dihydro-2H-1,4-benzoxazine

$$$$ Data

M. F.

C9H10BrNO2

Suppliers	Catalog Number
Matrix Scientific	071422
Key Organics	CG-0746

Database	Data ID
PubChem	66545111

M. W.

244.0852

CAS

Similarity

N/A

ID: 66030

3-bromo-8-nitroimidazo[1,2-a]pyridine

$$$$ Data

M. F.

C7H4BrN3O2

Suppliers	Catalog Number
Matrix Scientific	071423
Key Organics	CG-0730

Database	Data ID
PubChem	21827340

M. W.

242.02956

CAS

52310-43-7

Similarity

N/A

ID: 66031

4-chloro-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid

$$$$ Data

M. F.

C7H6ClNO3

Suppliers	Catalog Number
Matrix Scientific	071424
Key Organics	DG-0718

Database	Data ID
PubChem	11665533

M. W.

187.58044

CAS

821791-59-7

Similarity

N/A

ID: 66032

6-chloro-7-methyl-7H-purine

$$$$ Data

M. F.

C6H5ClN4

Suppliers	Catalog Number
Matrix Scientific	071425
Key Organics	SS-3029
TRC	C369495

Database	Data ID
PubChem	95057

M. W.

168.5837

CAS

5440-17-5

Similarity

N/A

ID: 66033

3-chloro-8-nitroimidazo[1,2-a]pyridine

$$$$ Data

M. F.

C7H4ClN3O2

Suppliers	Catalog Number
Matrix Scientific	071426
Key Organics	DG-0706

Database	Data ID
PubChem	607468

M. W.

197.57856

CAS

52310-45-9

Similarity

N/A

ID: 66034

4-chloro-2-(piperidin-1-yl)aniline

$$$$ Data

M. F.

C11H15ClN2

Suppliers	Catalog Number
Matrix Scientific	071427
Key Organics	DG-0710

Database	Data ID
PubChem	66545138

M. W.

210.7032

CAS

Similarity

N/A

ID: 66035

4-[(6-chloropyridin-3-yl)methyl]benzaldehyde

$$$$ Data

M. F.

C13H10ClNO

Suppliers	Catalog Number
Matrix Scientific	071428
Key Organics	CG-0726

Database	Data ID
PubChem	66545125

M. W.

231.6776

CAS

Similarity

N/A

ID: 66036

2-chloro-4-(trifluoromethyl)pyridine-3-carboxamide

$$$$ Data

M. F.

C7H4ClF3N2O

Suppliers	Catalog Number
Matrix Scientific	071429
Key Organics	AE-0232
Apollo Scientific	PC10156

Database	Data ID
PubChem	2782646

M. W.

224.5676696

CAS

Similarity

N/A

ID: 66037

1-cyclohexyl-1H,2H,3H-imidazo[4,5-b]pyridin-2-one

$$$$ Data

M. F.

C12H15N3O

Suppliers	Catalog Number
Matrix Scientific	071430
Key Organics	CG-0044

Database	Data ID
PubChem	59568642

M. W.

217.267

CAS

Similarity

N/A

ID: 66038

1-cyclohexyl-1H-imidazo[4,5-b]pyridine

$$$$ Data

M. F.

C12H15N3

Suppliers	Catalog Number
Matrix Scientific	071431
Key Organics	CG-0045

Database	Data ID
PubChem	19964699

M. W.

201.2676

CAS

Similarity

N/A

ID: 66039

2,6-dichloro-4-(chloromethyl)pyridine

$$$$ Data More

M. F.

C6H4Cl3N

Suppliers	Catalog Number
Matrix Scientific	071432
Key Organics	CG-0737
Maybridge	MO00840

Database	Data ID
PubChem	2794626

M. W.

196.46166

CAS

101990-72-1

Similarity

N/A

ID: 66040

1-(4,6-dichloropyridin-3-yl)ethan-1-one

$$$$ Data

M. F.

C7H5Cl2NO

Suppliers	Catalog Number
Matrix Scientific	071433
Key Organics	CG-0732
A&J Pharmtech	AJA-O34645

Database	Data ID
PubChem	59377652

M. W.

190.0267

CAS

887573-44-6

Similarity

N/A

ID: 66041

5-(1,3-dioxan-2-yl)-1-methyl-1H-indazol-3-amine

$$$$ Data

M. F.

C12H15N3O2

Suppliers	Catalog Number
Matrix Scientific	071434
Key Organics	CG-0747

Database	Data ID
PubChem	66545112

M. W.

233.2664

CAS

Similarity

N/A

ID: 66042

ethyl 2-nitro-3-{1H-pyrrolo[2,3-b]pyridin-3-yl}propanoate

$$$$ Data

M. F.

C12H13N3O4

Suppliers	Catalog Number
Matrix Scientific	071435
Key Organics	CG-0221

Database	Data ID
PubChem	66545117

M. W.

263.24932

CAS

Similarity

N/A

ID: 66043

2-[(4-fluorophenyl)amino]-2-methylpropanenitrile

$$$$ Data

M. F.

C10H11FN2

Suppliers	Catalog Number
Matrix Scientific	071436
Key Organics	CG-0050

Database	Data ID
PubChem	715512

M. W.

178.2061432

CAS

121071-28-1

Similarity

N/A

ID: 66044

imidazo[1,2-a]pyridin-8-amine

$$$$ Data More

M. F.

C7H7N3

Suppliers	Catalog Number
Matrix Scientific	073223 071437
Key Organics	DG-0709
Apollo Scientific	OR52051

Database	Data ID
PubChem	15413215

M. W.

133.15058

CAS

73221-18-8

Similarity

N/A

ID: 66045

3-iodo-1H-indole-2-carbonitrile

$$$$ Data

M. F.

C9H5IN2

Suppliers	Catalog Number
Matrix Scientific	071438
Key Organics	CG-0745

Database	Data ID
PubChem	11043753

M. W.

268.05387

CAS

51796-65-7

Similarity

N/A

ID: 66046

3-iodo-8-nitroimidazo[1,2-a]pyridine

$$$$ Data

M. F.

C7H4IN3O2

Suppliers	Catalog Number
Matrix Scientific	071439
Key Organics	CG-0729

Database	Data ID
PubChem	66545127

M. W.

289.03003

CAS

Similarity

N/A

ID: 66047

N-[4-iodo-2-(trifluoromethoxy)phenyl]acetamide

$$$$ Data

M. F.

C9H7F3INO2

Suppliers	Catalog Number
Matrix Scientific	071440
Key Organics	CG-0711

Database	Data ID
PubChem	66545119

M. W.

345.0570596

CAS

Similarity

N/A

ID: 66048

methyl 3-amino-5-bromo-4-hydroxybenzoate

$$$$ Data

M. F.

C8H8BrNO3

Suppliers	Catalog Number
Matrix Scientific	071441
Key Organics	CG-0733

Database	Data ID
PubChem	66545110

M. W.

246.05802

CAS

260249-10-3

Similarity

N/A

ID: 66049

methyl (1S,3R)-3-{[(benzyloxy)carbonyl]amino}cyclopentane-1-carboxylate

$$$$ Data

M. F.

C15H19NO4

Suppliers	Catalog Number
Matrix Scientific	071442
Key Organics	SS-4384

Database	Data ID
PubChem	66545226

M. W.

277.31566

CAS

Similarity

N/A

ID: 66050

2-methyl-2-[(4-methylphenyl)amino]propanenitrile

$$$$ Data

M. F.

C11H14N2

Suppliers	Catalog Number
Matrix Scientific	071443
Key Organics	DG-0038

Database	Data ID
PubChem	21239243

M. W.

174.24226

CAS

101568-43-8

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