Chembase list of 866358 unique molecular structures

N-tert-butyl-5-chlorothiophene-2-sulfonamide

$$$$ Data

M. F.

C8H12ClNO2S2

Suppliers	Catalog Number
Apollo Scientific	OR13860

Database	Data ID
PubChem	10106323

M. W.

253.76938

CAS

155731-14-9

Similarity

N/A

ID: 77052

2-(3-chlorophenyl)-1H-1,3-benzodiazole-5-carboxylic acid

$$$$ Data

M. F.

C14H9ClN2O2

Suppliers	Catalog Number
Apollo Scientific	OR13865

Database	Data ID
PubChem	26370416

M. W.

272.68646

CAS

Similarity

N/A

ID: 77053

2-(2-chlorophenyl)-1H-1,3-benzodiazole-5-carboxylic acid

$$$$ Data

M. F.

C14H9ClN2O2

Suppliers	Catalog Number
Apollo Scientific	OR13866

Database	Data ID
PubChem	4915655

M. W.

272.68646

CAS

Similarity

N/A

ID: 77054

2-(2,3-dimethoxyphenyl)-1H-1,3-benzodiazole-5-carboxylic acid

$$$$ Data

M. F.

C16H14N2O4

Suppliers	Catalog Number
Apollo Scientific	OR13867

Database	Data ID
PubChem	26370419

M. W.

298.29336

CAS

Similarity

N/A

ID: 77055

2-(2-methoxyphenyl)-1H-1,3-benzodiazole-5-carboxylic acid

$$$$ Data

M. F.

C15H12N2O3

Suppliers	Catalog Number
Apollo Scientific	OR13868

Database	Data ID
PubChem	4915663

M. W.

268.26738

CAS

Similarity

N/A

ID: 77056

2-(3,4-dimethoxyphenyl)-1H-1,3-benzodiazole-5-carboxylic acid

$$$$ Data

M. F.

C16H14N2O4

Suppliers	Catalog Number
Apollo Scientific	OR13869

Database	Data ID
PubChem	4915430

M. W.

298.29336

CAS

Similarity

N/A

ID: 77057

2-(3,4,5-trimethoxyphenyl)-1H-1,3-benzodiazole-5-carboxylic acid

$$$$ Data

M. F.

C17H16N2O5

Suppliers	Catalog Number
Apollo Scientific	OR13870

Database	Data ID
PubChem	26370446

M. W.

328.31934

CAS

Similarity

N/A

ID: 77058

2-(4-methoxyphenyl)-1H-1,3-benzodiazole-5-carboxylic acid

$$$$ Data

M. F.

C15H12N2O3

Suppliers	Catalog Number
Apollo Scientific	OR13871

Database	Data ID
PubChem	784829

M. W.

268.26738

CAS

Similarity

N/A

ID: 77059

2-(2,5-dimethoxyphenyl)-1H-1,3-benzodiazole-5-carboxylic acid

$$$$ Data

M. F.

C16H14N2O4

Suppliers	Catalog Number
Apollo Scientific	OR13872

Database	Data ID
PubChem	26370448

M. W.

298.29336

CAS

Similarity

N/A

ID: 77060

2-(3-methoxyphenyl)-1H-1,3-benzodiazole-5-carboxylic acid

$$$$ Data

M. F.

C15H12N2O3

Suppliers	Catalog Number
Apollo Scientific	OR13873

Database	Data ID
PubChem	40655372

M. W.

268.26738

CAS

Similarity

N/A

ID: 77061

2-[3-(propan-2-yloxy)phenyl]-1H-1,3-benzodiazole-5-carboxylic acid

$$$$ Data

M. F.

C17H16N2O3

Suppliers	Catalog Number
Apollo Scientific	OR13874

Database	Data ID
PubChem	26370450

M. W.

296.32054

CAS

Similarity

N/A

ID: 77062

2-(2-hydroxy-3-methoxyphenyl)-1H-1,3-benzodiazole-5-carboxylic acid

$$$$ Data

M. F.

C15H12N2O4

Suppliers	Catalog Number
Apollo Scientific	OR13875

Database	Data ID
PubChem	44118672

M. W.

284.26678

CAS

Similarity

N/A

ID: 77063

2-(2-ethoxyphenyl)-1H-1,3-benzodiazole-5-carboxylic acid

$$$$ Data

M. F.

C16H14N2O3

Suppliers	Catalog Number
Apollo Scientific	OR13876

Database	Data ID
PubChem	26370456

M. W.

282.29396

CAS

Similarity

N/A

ID: 77064

2-(2,4,5-trimethoxyphenyl)-1H-1,3-benzodiazole-5-carboxylic acid

$$$$ Data

M. F.

C17H16N2O5

Suppliers	Catalog Number
Apollo Scientific	OR13877

Database	Data ID
PubChem	26370458

M. W.

328.31934

CAS

Similarity

N/A

ID: 77065

2-(2,4-dimethoxyphenyl)-1H-1,3-benzodiazole-5-carboxylic acid

$$$$ Data

M. F.

C16H14N2O4

Suppliers	Catalog Number
Apollo Scientific	OR13878

Database	Data ID
PubChem	26370462

M. W.

298.29336

CAS

Similarity

N/A

ID: 77066

2-(3-ethoxyphenyl)-1H-1,3-benzodiazole-5-carboxylic acid

$$$$ Data

M. F.

C16H14N2O3

Suppliers	Catalog Number
Apollo Scientific	OR13879

Database	Data ID
PubChem	26370464

M. W.

282.29396

CAS

Similarity

N/A

ID: 77067

2-(3-ethoxy-4-methoxyphenyl)-1H-1,3-benzodiazole-5-carboxylic acid

$$$$ Data

M. F.

C17H16N2O4

Suppliers	Catalog Number
Apollo Scientific	OR13880

Database	Data ID
PubChem	26370466

M. W.

312.31994

CAS

Similarity

N/A

ID: 77068

2-(4-hydroxy-3-methoxyphenyl)-1H-1,3-benzodiazole-5-carboxylic acid

$$$$ Data

M. F.

C15H12N2O4

Suppliers	Catalog Number
Apollo Scientific	OR13881

Database	Data ID
PubChem	44118673

M. W.

284.26678

CAS

Similarity

N/A

ID: 77069

4-(4-bromophenyl)pyrimidin-2-amine

$$$$ Data

M. F.

C10H8BrN3

Suppliers	Catalog Number
Apollo Scientific	OR13882

Database	Data ID
PubChem	4590150

M. W.

250.09462

CAS

Similarity

N/A

ID: 77070

4-[4-(2-methylpropyl)phenyl]pyrimidin-2-amine

$$$$ Data

M. F.

C14H17N3

Suppliers	Catalog Number
Apollo Scientific	OR13883

Database	Data ID
PubChem	26370432

M. W.

227.30488

CAS

Similarity

N/A

ID: 77071

2-(2-aminopyrimidin-4-yl)phenol

$$$$ Data

M. F.

C10H9N3O

Suppliers	Catalog Number
Apollo Scientific	OR13885

Database	Data ID
PubChem	44118666

M. W.

187.19796

CAS

Similarity

N/A

ID: 77072

2-(2-aminopyrimidin-4-yl)-4-methylphenol

$$$$ Data

M. F.

C11H11N3O

Suppliers	Catalog Number
Apollo Scientific	OR13886

Database	Data ID
PubChem	44118667

M. W.

201.22454

CAS

Similarity

N/A

ID: 77073

2-(2-aminopyrimidin-4-yl)-4-chlorophenol

$$$$ Data

M. F.

C10H8ClN3O

Suppliers	Catalog Number
Apollo Scientific	OR13887

Database	Data ID
PubChem	44118668

M. W.

221.64302

CAS

Similarity

N/A

ID: 77074

2-(2-aminopyrimidin-4-yl)-4-bromophenol

$$$$ Data

M. F.

C10H8BrN3O

Suppliers	Catalog Number
Apollo Scientific	OR13888

Database	Data ID
PubChem	44118669

M. W.

266.09402

CAS

Similarity

N/A

ID: 77075

2-(2-aminopyrimidin-4-yl)-4-chloro-5-methylphenol

$$$$ Data

M. F.

C11H10ClN3O

Suppliers	Catalog Number
Apollo Scientific	OR13889

Database	Data ID
PubChem	44118670

M. W.

235.6696

CAS

Similarity

N/A

ID: 77076

tert-butyl 4-formyl-3,5-dimethyl-1H-pyrazole-1-carboxylate

$$$$ Data

M. F.

C11H16N2O3

Suppliers	Catalog Number
Maybridge	CC31904
Apollo Scientific	OR1389

Database	Data ID
PubChem	2795543

M. W.

224.25634

CAS

844891-13-0

Similarity

N/A

ID: 77077

2-(2-aminopyrimidin-4-yl)-4-nitrophenol

$$$$ Data

M. F.

C10H8N4O3

Suppliers	Catalog Number
Apollo Scientific	OR13890

Database	Data ID
PubChem	44118671

M. W.

232.19552

CAS

Similarity

N/A

ID: 77078

1-(4-hydroxy-3,5-dimethylphenyl)ethan-1-one

$$$$ Data

M. F.

C10H12O2

Suppliers	Catalog Number
Sigma Aldrich	546402
Apollo Scientific	OR13892

Database	Data ID
PubChem	36581

M. W.

164.20108

CAS

5325-04-2

Similarity

N/A

ID: 77079

ethyl 2-hydroxy-2-(4-hydroxyphenyl)acetate

$$$$ Data

M. F.

C10H12O4

Suppliers	Catalog Number
Alfa Aesar	L05413
Apollo Scientific	OR13893

Database	Data ID
PubChem	111357

M. W.

196.19988

CAS

68758-68-9

Similarity

N/A

ID: 77080

2-methoxy-2-phenylacetic acid

$$$$ Data

M. F.

C9H10O3

Suppliers	Catalog Number
Sigma Aldrich	248975 M2876 65210
MP Biomedicals	02155432 05204657 02155430 (more...)
Apollo Scientific	OR13894

Database	Data ID
PubChem	107202

M. W.

166.1739

CAS

7021-09-2

Similarity

N/A

ID: 77081

methyl 4-methoxy-1H-indole-2-carboxylate

$$$$ Data More

M. F.

C11H11NO3

Suppliers	Catalog Number
Sigma Aldrich	365564
Alfa Aesar	H27743
Apollo Scientific	OR13895

Database	Data ID
PubChem	688172

M. W.

205.20994

CAS

111258-23-2

Similarity

N/A

ID: 77082

4,5-dimethoxy-2-nitrobenzoic acid

$$$$ Data More

M. F.

C9H9NO6

Suppliers	Catalog Number
Sigma Aldrich	329231
MP Biomedicals	05211317
Alfa Aesar	L08510

Database	Data ID
PubChem	78690

M. W.

227.17086

CAS

4998-7-6

Similarity

N/A

ID: 77083

3,6,9,12-tetraoxatetradecane-1,14-diol

$$$$ Data More

M. F.

C10H22O6

Suppliers	Catalog Number
Sigma Aldrich	335754 76435
Alfa Aesar	A10133
Apollo Scientific	OR13897

Database	Data ID
PubChem	62551

M. W.

238.27808

CAS

4792-15-8

Similarity

N/A

ID: 77084

2-(thiophen-3-yl)ethan-1-ol

$$$$ Data More

M. F.

C6H8OS

Suppliers	Catalog Number
Sigma Aldrich	228796
Alfa Aesar	L15138
Apollo Scientific	OR13899

Database	Data ID
PubChem	83731

M. W.

128.19212

CAS

13781-67-4

Similarity

N/A

ID: 77085

1,2-dichloro-3-nitrobenzene

$$$$ Data More

M. F.

C6H3Cl2NO2

Suppliers	Catalog Number
Sigma Aldrich	D68207 45682
MP Biomedicals	05201979
Alfa Aesar	A15037

Database	Data ID
PubChem	18555

M. W.

191.99952

CAS

3209-22-1

Similarity

N/A

ID: 77086

2-(thiophen-2-yl)benzaldehyde

$$$$ Data

M. F.

C11H8OS

Suppliers	Catalog Number
Maybridge	CC35504
Apollo Scientific	OR1392
Bide Pharmatech	BD13666

Database	Data ID
PubChem	2795558

M. W.

188.24562

CAS

99902-07-5

Similarity

N/A

ID: 77087

[4-(thiophen-2-yl)phenyl]boronic acid

$$$$ Data

M. F.

C10H9BO2S

Suppliers	Catalog Number
Apollo Scientific	OR1394
A&J Pharmtech	AJA-O28651

Database	Data ID
PubChem	11637042

M. W.

204.05326

CAS

362612-66-6

Similarity

N/A

ID: 77088

5-methyl-1-phenyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

$$$$ Data More

M. F.

C16H21BN2O2

Suppliers	Catalog Number
Maybridge	CC15539
Apollo Scientific	OR1395
Bide Pharmatech	BD104675

Database	Data ID
PubChem	2795327

M. W.

284.16114

CAS

849776-88-1

Similarity

N/A

ID: 77089

4-{[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}morpholine

$$$$ Data More

M. F.

C17H26BNO3

Suppliers	Catalog Number
Sigma Aldrich	699446
Alfa Aesar	H28416
Maybridge	CC40139

Database	Data ID
PubChem	2795578

M. W.

303.20424

CAS

364794-80-9

Similarity

N/A

ID: 77090

1,3,8-triazaspiro[4.5]decane-2,4-dione

$$$$ Data More

M. F.

C7H11N3O2

Suppliers	Catalog Number
Apollo Scientific	OR13964
Life Chemicals	F2124-0748
Enamine	EN300-11542

Database	Data ID
PubChem	120989

M. W.

169.18114

CAS

13625-39-3

Similarity

N/A

ID: 77091

N-(piperidin-4-yl)acetamide

$$$$ Data More

M. F.

C7H14N2O

Suppliers	Catalog Number
Alfa Aesar	H50981
Apollo Scientific	OR13965
Chemik	CHH15510

Database	Data ID
PubChem	1445156

M. W.

142.19886

CAS

5810-56-0

Similarity

N/A

ID: 77092

1λ⁶-thiomorpholine-1,1-dione

$$$$ Data More

M. F.

C4H9NO2S

Suppliers	Catalog Number
ChemBridge	4014927
Apollo Scientific	OR13966
Enamine	EN300-43009

Database	Data ID
PubChem	6484228

M. W.

135.18476

CAS

39093-93-1

Similarity

N/A

ID: 77093

phenyl(piperidin-4-yl)methanol

$$$$ Data

M. F.

C12H17NO

Suppliers	Catalog Number
ChemBridge	4005907
Apollo Scientific	OR13969
Enamine	EN300-26854

Database	Data ID
PubChem	339086

M. W.

191.26948

CAS

38081-60-6

Similarity

N/A

ID: 77094

5-(furan-2-yl)-1,2-oxazole-3-carbonyl chloride

$$$$ Data

M. F.

C8H4ClNO3

Suppliers	Catalog Number
Maybridge	CC34902
Apollo Scientific	OR1397
A&J Pharmtech	AJA-O7916 AJA-O8787

Database	Data ID
PubChem	2795555

M. W.

197.57526

CAS

88958-33-2

Similarity

N/A

ID: 77095

1-(2-methoxybenzoyl)piperazine

$$$$ Data

M. F.

C12H16N2O2

Suppliers	Catalog Number
ChemBridge	4004080
Apollo Scientific	OR13970
Enamine	EN300-36106

Database	Data ID
PubChem	796570

M. W.

220.26764

CAS

100939-88-6

Similarity

N/A

ID: 77096

(4-benzylpiperazin-2-yl)methanol

$$$$ Data

M. F.

C12H18N2O

Suppliers	Catalog Number
Apollo Scientific	OR13971
Bide Pharmatech	BD99257
A&J Pharmtech	AJA-O1253 AJA-O34345

Database	Data ID
PubChem	2756656

M. W.

206.28412

CAS

85817-34-1

Similarity

N/A

ID: 77097

(1R,2S)-2-(benzylamino)cyclohexan-1-ol

$$$$ Data

M. F.

C13H19NO

Suppliers	Catalog Number
Apollo Scientific	OR13972

Database	Data ID
PubChem	7015765

M. W.

205.29606

CAS

40571-86-6

Similarity

N/A

ID: 77098

dimethylamine

$$$$ Data

M. F.

C2H7N

Suppliers	Catalog Number
Sigma Aldrich	D2647 391956 426458 (more...)
Alfa Aesar	43261 31458
Apollo Scientific	OR13973

Database	Data ID
Wikipedia	Dimethylamine
PubChem	674

M. W.

45.08368

CAS

124-40-3

Similarity

N/A

ID: 77099

4-benzylpiperidin-4-ol

$$$$ Data

M. F.

C12H17NO

Suppliers	Catalog Number
MP Biomedicals	05211275
Alfa Aesar	A15664
Apollo Scientific	OR13976

Database	Data ID
PubChem	98152

M. W.

191.26948

CAS

51135-96-7

Similarity

N/A

ID: 77100

morpholine

$$$$ Data More

M. F.

C4H9NO

Suppliers	Catalog Number
Sigma Aldrich	394467 69882 90179 (more...)
MP Biomedicals	02190234 05204583
Alfa Aesar	31984 A10355

Database	Data ID
Wikipedia	Morpholine
PubChem	8083

M. W.

87.12036

CAS

110-91-8

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