Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C12H19NO

Suppliers	Catalog Number
Life Chemicals	F2150-0016

Database	Data ID
PubChem	16644610

M. W.

193.28536

CAS

Similarity

N/A

ID: 117202

N-(4-hydroxyphenyl)-N-methylacetamide

$$$$ Data

M. F.

C9H11NO2

Suppliers	Catalog Number
Life Chemicals	F2150-0017
Enamine	EN300-51829

Database	Data ID
PubChem	221111

M. W.

165.18914

CAS

Similarity

N/A

ID: 117203

4-bromo-3-methyl-1,2-oxazol-5-amine

$$$$ Data More

M. F.

C4H5BrN2O

Suppliers	Catalog Number
Sigma Aldrich	722324
ChemBridge	4044712
Life Chemicals	F2150-0018

Database	Data ID
PubChem	10487519

M. W.

176.9993

CAS

5819-40-9

Similarity

N/A

ID: 117204

5-chloro-2-methylbenzaldehyde

$$$$ Data

M. F.

C8H7ClO

Suppliers	Catalog Number
Life Chemicals	F2150-0019
Chemik	CHB18562
A&J Pharmtech	AJA-O37929

Database	Data ID
PubChem	12347565

M. W.

154.59358

CAS

58966-34-0

Similarity

N/A

ID: 117205

2-[4-(propan-2-yl)-1,3-thiazol-2-yl]ethan-1-amine

$$$$ Data

M. F.

C8H14N2S

Suppliers	Catalog Number
ChemBridge	4043358
Life Chemicals	F2150-0021

Database	Data ID
PubChem	3917998

M. W.

170.27516

CAS

Similarity

N/A

ID: 117206

2-(4-methyl-1,3-thiazol-2-yl)ethan-1-amine

$$$$ Data More

M. F.

C6H10N2S

Suppliers	Catalog Number
ChemBridge	4004037
Life Chemicals	F2150-0023
InterBioScreen	BB_SC-5822

Database	Data ID
PubChem	3422636

M. W.

142.222

CAS

61887-91-0

Similarity

N/A

ID: 117207

methyl[2-(pyrrolidin-1-yl)ethyl]amine

$$$$ Data More

M. F.

C7H16N2

Suppliers	Catalog Number
ChemBridge	4004410
Life Chemicals	F2150-0025
InterBioScreen	BB_SC-9620

Database	Data ID
PubChem	295976

M. W.

128.21534

CAS

32776-22-0

Similarity

N/A

ID: 117208

7-amino-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol

$$$$ Data

M. F.

C6H4F3N5O

Suppliers	Catalog Number
Life Chemicals	F2150-0027

Database	Data ID
PubChem	34115423

M. W.

219.1240696

CAS

Similarity

N/A

ID: 117209

3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)aniline

$$$$ Data

M. F.

C15H13NO3

Suppliers	Catalog Number
Life Chemicals	F2150-0029
InterBioScreen	BB_SC-9761

Database	Data ID
PubChem	39357254

M. W.

255.26862

CAS

1177220-28-8

Similarity

N/A

ID: 117210

2-(4-methoxybenzenesulfonyl)ethan-1-amine

$$$$ Data

M. F.

C9H13NO3S

Suppliers	Catalog Number
Life Chemicals	F2150-0033

Database	Data ID
PubChem	16644604

M. W.

215.26942

CAS

Similarity

N/A

ID: 117211

2-(4-ethoxybenzenesulfonyl)ethan-1-amine

$$$$ Data

M. F.

C10H15NO3S

Suppliers	Catalog Number
Life Chemicals	F2150-0034

Database	Data ID
PubChem	17028058

M. W.

229.296

CAS

Similarity

N/A

ID: 117212

4H,5H,6H-cyclopenta[c][1,2]thiazol-3-amine

$$$$ Data

M. F.

C6H8N2S

Suppliers	Catalog Number
ChemBridge	4020502
Life Chemicals	F2150-0037

Database	Data ID
PubChem	23008745

M. W.

140.20612

CAS

937667-84-0

Similarity

N/A

ID: 117213

4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)aniline

$$$$ Data

M. F.

C15H13NO3

Suppliers	Catalog Number
Life Chemicals	F2150-0038

Database	Data ID
PubChem	18358186

M. W.

255.26862

CAS

Similarity

N/A

ID: 117214

5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

$$$$ Data

M. F.

C7H6F3N5

Suppliers	Catalog Number
ChemBridge	4040630
Life Chemicals	F2150-0039
InterBioScreen	BB_SC-9618

Database	Data ID
PubChem	2376946

M. W.

217.1512496

CAS

380340-45-4

Similarity

N/A

ID: 117215

3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)propan-1-amine

$$$$ Data

M. F.

C14H22N2O2

Suppliers	Catalog Number
Life Chemicals	F2150-0040

Database	Data ID
PubChem	23004056

M. W.

250.33668

CAS

Similarity

N/A

ID: 117216

2-chloro-5-(4-ethoxybenzoyl)aniline

$$$$ Data

M. F.

C15H14ClNO2

Suppliers	Catalog Number
Life Chemicals	F2150-0044

Database	Data ID
PubChem	28332425

M. W.

275.73016

CAS

Similarity

N/A

ID: 117217

[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanamine

$$$$ Data

M. F.

C11H12N2S

Suppliers	Catalog Number
Life Chemicals	F2150-0045

Database	Data ID
PubChem	20983731

M. W.

204.29138

CAS

Similarity

N/A

ID: 117218

4-(3,4-dimethoxybenzoyl)aniline

$$$$ Data

M. F.

C15H15NO3

Suppliers	Catalog Number
Life Chemicals	F2150-0048
InterBioScreen	BB_NC-2615 STOCK1N-75947

Database	Data ID
PubChem	11543424

M. W.

257.2845

CAS

Similarity

N/A

ID: 117219

3-(3,4-dimethoxybenzoyl)aniline

$$$$ Data

M. F.

C15H15NO3

Suppliers	Catalog Number
Life Chemicals	F2150-0049
InterBioScreen	BB_NC-2614 STOCK1N-75819

Database	Data ID
PubChem	10563087

M. W.

257.2845

CAS

Similarity

N/A

ID: 117220

2-amino-4-tert-butylfuran-3-carbonitrile

$$$$ Data

M. F.

C9H12N2O

Suppliers	Catalog Number
Life Chemicals	F2150-0050

Database	Data ID
PubChem	13770581

M. W.

164.20438

CAS

Similarity

N/A

ID: 117221

5-methyl-2-phenyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-amine

$$$$ Data

M. F.

C13H16N4

Suppliers	Catalog Number
Life Chemicals	F2150-0051

Database	Data ID
PubChem	28907444

M. W.

228.29294

CAS

Similarity

N/A

ID: 117222

6-methyl-3-{[(4-methylphenyl)methyl]sulfanyl}-2,5-dihydro-1,2,4-triazin-5-one

$$$$ Data

M. F.

C12H13N3OS

Suppliers	Catalog Number
Life Chemicals	F2153-0001

Database	Data ID
PubChem	1404178

M. W.

247.31612

CAS

Similarity

N/A

ID: 117223

2-oxo-1-(pyridin-2-ylmethyl)-1,2-dihydropyridine-3-carboxylic acid

$$$$ Data

M. F.

C12H10N2O3

Suppliers	Catalog Number
Life Chemicals	F2153-0002

Database	Data ID
PubChem	16835888

M. W.

230.2194

CAS

Similarity

N/A

ID: 117224

1-[(3-nitrophenyl)methyl]-2-oxo-1,2-dihydropyridine-3-carboxylic acid

$$$$ Data

M. F.

C13H10N2O5

Suppliers	Catalog Number
Life Chemicals	F2153-0003

Database	Data ID
PubChem	16835889

M. W.

274.2289

CAS

Similarity

N/A

ID: 117225

1-[(4-chlorophenyl)methyl]-2-oxo-1,2-dihydropyridine-3-carboxylic acid

$$$$ Data

M. F.

C13H10ClNO3

Suppliers	Catalog Number
Life Chemicals	F2153-0004

Database	Data ID
PubChem	5065592

M. W.

263.6764

CAS

Similarity

N/A

ID: 117226

2-(pyrrolidin-1-yl)quinolin-8-ol

$$$$ Data

M. F.

C13H14N2O

Suppliers	Catalog Number
Life Chemicals	F2153-0011
Enamine	EN300-55584

Database	Data ID
PubChem	16835891

M. W.

214.26306

CAS

Similarity

N/A

ID: 117227

1-(8-hydroxyquinolin-2-yl)piperidine-4-carboxamide

$$$$ Data

M. F.

C15H17N3O2

Suppliers	Catalog Number
Life Chemicals	F2153-0012

Database	Data ID
PubChem	16835892

M. W.

271.31438

CAS

Similarity

N/A

ID: 117228

2-(4-benzylpiperidin-1-yl)quinolin-8-ol

$$$$ Data

M. F.

C21H22N2O

Suppliers	Catalog Number
Life Chemicals	F2153-0013

Database	Data ID
PubChem	16835893

M. W.

318.41218

CAS

Similarity

N/A

ID: 117229

2-(4-phenylpiperazin-1-yl)quinolin-8-ol

$$$$ Data

M. F.

C19H19N3O

Suppliers	Catalog Number
Life Chemicals	F2153-0014

Database	Data ID
PubChem	16812500

M. W.

305.37366

CAS

Similarity

N/A

ID: 117230

ethyl 4-oxo-1,4-dihydro-1,6-naphthyridine-3-carboxylate

$$$$ Data

M. F.

C11H10N2O3

Suppliers	Catalog Number
Life Chemicals	F2155-0001

Database	Data ID
PubChem	17608811

M. W.

218.2087

CAS

Similarity

N/A

ID: 117231

7-amino-1,2-dihydro-1,8-naphthyridin-2-one

$$$$ Data

M. F.

C8H7N3O

Suppliers	Catalog Number
ChemBridge	4027370
Life Chemicals	F2155-0022

Database	Data ID
PubChem	5464536

M. W.

161.16068

CAS

1931-44-8

Similarity

N/A

ID: 117232

4-amino-2-methylquinoline-6-carboxylic acid

$$$$ Data

M. F.

C11H10N2O2

Suppliers	Catalog Number
Life Chemicals	F2156-0003
InterBioScreen	BB_NC-2813

Database	Data ID
PubChem	7137980

M. W.

202.2093

CAS

Similarity

N/A

ID: 117233

4-amino-8-chloroquinoline-3-carboxylic acid

$$$$ Data

M. F.

C10H7ClN2O2

Suppliers	Catalog Number
Life Chemicals	F2156-0030
InterBioScreen	BB_SC-5775

Database	Data ID
PubChem	17028176

M. W.

222.62778

CAS

955328-22-0

Similarity

N/A

ID: 117234

4-amino-8-fluoroquinoline-3-carboxylic acid

$$$$ Data

M. F.

C10H7FN2O2

Suppliers	Catalog Number
ChemBridge	4030159
Life Chemicals	F2156-0039
InterBioScreen	BB_SC-5963

Database	Data ID
PubChem	17028177

M. W.

206.1731832

CAS

476683-65-5

Similarity

N/A

ID: 117235

1-ethyl-8-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

$$$$ Data

M. F.

C12H10FNO3

Suppliers	Catalog Number
Life Chemicals	F2156-0041

Database	Data ID
PubChem	27369179

M. W.

235.2111032

CAS

Similarity

N/A

ID: 117236

8-fluoro-2-methylquinolin-4-amine

$$$$ Data More

M. F.

C10H9FN2

Suppliers	Catalog Number
ChemBridge	4029892
Life Chemicals	F2156-0047
InterBioScreen	BB_SC-5964

Database	Data ID
PubChem	17039876

M. W.

176.1902632

CAS

288151-34-8

Similarity

N/A

ID: 117237

4-amino-6-chloroquinoline-3-carboxylic acid

$$$$ Data

M. F.

C10H7ClN2O2

Suppliers	Catalog Number
Life Chemicals	F2156-0050
InterBioScreen	BB_SC-5776

Database	Data ID
PubChem	17028179

M. W.

222.62778

CAS

Similarity

N/A

ID: 117238

6-chloroquinolin-4-ol

$$$$ Data

M. F.

C9H6ClNO

Suppliers	Catalog Number
Life Chemicals	F2156-0055
Enamine	EN300-77746
A&J Pharmtech	AJA-O38554

Database	Data ID
PubChem	220929

M. W.

179.60304

CAS

23432-43-1

Similarity

N/A

ID: 117239

6-chloro-2-methylquinolin-4-amine

$$$$ Data More

M. F.

C10H9ClN2

Suppliers	Catalog Number
ChemBridge	4029729
Life Chemicals	F2156-0058
InterBioScreen	BB_SC-7508

Database	Data ID
PubChem	12411655

M. W.

192.64486

CAS

66735-24-8

Similarity

N/A

ID: 117240

4-amino-6-fluoroquinoline-3-carboxylic acid

$$$$ Data

M. F.

C10H7FN2O2

Suppliers	Catalog Number
ChemBridge	4030870
Life Chemicals	F2156-0061
InterBioScreen	BB_SC-5909

Database	Data ID
PubChem	28065096

M. W.

206.1731832

CAS

933688-20-1

Similarity

N/A

ID: 117241

2-(4-{5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷...

$$$$ Data

M. F.

C26H43NO6

Suppliers	Catalog Number
Life Chemicals	F2157-0004

Database	Data ID
PubChem	755

M. W.

465.62272

CAS

Similarity

N/A

ID: 117242

ethyl 2-amino-4H,5H,6H-cyclopenta[d][1,3]thiazole-4-carboxylate

$$$$ Data

M. F.

C9H12N2O2S

Suppliers	Catalog Number
Life Chemicals	F2158-0001

Database	Data ID
PubChem	44116799

M. W.

212.26878

CAS

Similarity

N/A

ID: 117243

2-benzamido-4H,5H,6H-cyclopenta[d][1,3]thiazole-4-carboxylic acid

$$$$ Data

M. F.

C14H12N2O3S

Suppliers	Catalog Number
Life Chemicals	F2158-0003

Database	Data ID
PubChem	44116800

M. W.

288.32168

CAS

Similarity

N/A

ID: 117244

2-(4-fluorobenzamido)-4H,5H,6H-cyclopenta[d][1,3]thiazole-4-carboxylic acid

$$$$ Data

M. F.

C14H11FN2O3S

Suppliers	Catalog Number
Life Chemicals	F2158-0004

Database	Data ID
PubChem	44116801

M. W.

306.3121432

CAS

Similarity

N/A

ID: 117245

2-(2H-1,3-benzodioxole-5-amido)-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxyli...

$$$$ Data

M. F.

C16H14N2O5S

Suppliers	Catalog Number
Life Chemicals	F2158-0007

Database	Data ID
PubChem	44116804

M. W.

346.35776

CAS

Similarity

N/A

ID: 117246

2-{2-[(methoxycarbonyl)amino]-1,3-thiazol-4-yl}acetic acid

$$$$ Data

M. F.

C7H8N2O4S

Suppliers	Catalog Number
Life Chemicals	F2158-0008

Database	Data ID
PubChem	28377738

M. W.

216.21442

CAS

Similarity

N/A

ID: 117247

2-{2-[(ethoxycarbonyl)amino]-1,3-thiazol-4-yl}acetic acid

$$$$ Data

M. F.

C8H10N2O4S

Suppliers	Catalog Number
Life Chemicals	F2158-0009

Database	Data ID
PubChem	20120241

M. W.

230.241

CAS

Similarity

N/A

ID: 117248

2-(2-{[(2-methylpropoxy)carbonyl]amino}-1,3-thiazol-4-yl)acetic acid

$$$$ Data

M. F.

C10H14N2O4S

Suppliers	Catalog Number
Life Chemicals	F2158-0010

Database	Data ID
PubChem	28377736

M. W.

258.29416

CAS

Similarity

N/A

ID: 117249

2-(2-amino-1,3-thiazol-4-yl)-N-methylacetamide

$$$$ Data

M. F.

C6H9N3OS

Suppliers	Catalog Number
Life Chemicals	F2158-0012
InterBioScreen	BB_SC-7526

Database	Data ID
PubChem	42281839

M. W.

171.22016

CAS

Similarity

N/A

ID: 117250

2-(2-amino-1,3-thiazol-4-yl)-N-ethylacetamide

$$$$ Data

M. F.

C7H11N3OS

Suppliers	Catalog Number
Life Chemicals	F2158-0013

Database	Data ID
PubChem	42281840

M. W.

185.24674

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