Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C5H9NO2

Suppliers	Catalog Number
Matrix Scientific	037406

Database	Data ID
PubChem	25219537

M. W.

115.13046

CAS

Similarity

N/A

ID: 34652

4-(pyrrolidin-1-yl)butanenitrile

$$$$ Data More

M. F.

C8H14N2

Suppliers	Catalog Number
Sigma Aldrich	P73900
Matrix Scientific	037408
InterBioScreen	BB_SC-8839

Database	Data ID
PubChem	118838

M. W.

138.21016

CAS

35543-25-0

Similarity

N/A

ID: 34653

(2E)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile

$$$$ Data

M. F.

C11H11NO2

Suppliers	Catalog Number
Sigma Aldrich	145343
Matrix Scientific	037409

Database	Data ID
PubChem	1550958

M. W.

189.21054

CAS

6443-72-7

Similarity

N/A

ID: 34654

1-(4-methoxyphenyl)cyclohexane-1-carbonitrile

$$$$ Data

M. F.

C14H17NO

Suppliers	Catalog Number
Alfa Aesar	L06107
Matrix Scientific	037410

Database	Data ID
PubChem	98629

M. W.

215.29088

CAS

36263-51-1

Similarity

N/A

ID: 34655

1-[(2-hydroxypropyl)amino]propan-2-ol

$$$$ Data More

M. F.

C6H15NO2

Suppliers	Catalog Number
Sigma Aldrich	133019 14960
MP Biomedicals	05209217
Alfa Aesar	A18451

Database	Data ID
PubChem	8086

M. W.

133.1888

CAS

110-97-4

Similarity

N/A

ID: 34656

(2-chloro-4-fluorophenyl)hydrazine hydrochloride

$$$$ Data

M. F.

C6H7Cl2FN2

Suppliers	Catalog Number
Matrix Scientific	037412
Apollo Scientific	PC0816
Bide Pharmatech	BD33807

Database	Data ID
PubChem	24721049

M. W.

197.0375832

CAS

119452-65-2

Similarity

N/A

ID: 34657

(4-ethoxyphenyl)hydrazine hydrochloride

$$$$ Data

M. F.

C8H13ClN2O

Suppliers	Catalog Number
Matrix Scientific	037414
Enamine	EN300-37494

Database	Data ID
PubChem	12489802

M. W.

188.65462

CAS

Similarity

N/A

ID: 34658

pyrrolidin-3-amine

$$$$ Data

M. F.

C4H10N2

Suppliers	Catalog Number
Matrix Scientific	037415
Chemik	CHH16000

Database	Data ID
PubChem	164401

M. W.

86.1356

CAS

79286-79-6

Similarity

N/A

ID: 34659

3-bromo-5-fluorobenzaldehyde

$$$$ Data More

M. F.

C7H4BrFO

Suppliers	Catalog Number
Matrix Scientific	037416
Apollo Scientific	PC2392
Chemik	CHB20000

Database	Data ID
PubChem	21986246

M. W.

203.0084632

CAS

188813-02-7

Similarity

N/A

ID: 34660

2-[(4-chlorophenyl)sulfanyl]aniline

$$$$ Data

M. F.

C12H10ClNS

Suppliers	Catalog Number
Sigma Aldrich	07450
Matrix Scientific	037417
Enamine	EN300-33994

Database	Data ID
PubChem	361297

M. W.

235.7325

CAS

37750-29-1

Similarity

N/A

ID: 34661

methyl (2S)-2-amino-3-(1H-imidazol-4-yl)propanoate dihydrochloride

$$$$ Data More

M. F.

C7H13Cl2N3O2

Suppliers	Catalog Number
Sigma Aldrich	H8625 H15403 53360
MP Biomedicals	02101960
Alfa Aesar	A12386

Database	Data ID
PubChem	2723645

M. W.

242.10302

CAS

7389-87-9

Similarity

N/A

ID: 34662

3-(4-methylphenyl)-1,2-oxazol-5-amine

$$$$ Data

M. F.

C10H10N2O

Suppliers	Catalog Number
ChemBridge	3020102
Matrix Scientific	037419
Enamine	EN300-12121

Database	Data ID
PubChem	576446

M. W.

174.1992

CAS

28883-91-2

Similarity

N/A

ID: 34663

3-(4-methoxyphenyl)-1,2-oxazol-5-amine

$$$$ Data

M. F.

C10H10N2O2

Suppliers	Catalog Number
Sigma Aldrich	644951
Matrix Scientific	037420
InterBioScreen	BB_SC-10550

Database	Data ID
PubChem	4361134

M. W.

190.1986

CAS

86685-98-5

Similarity

N/A

ID: 34664

3-(3-methylphenyl)-1,2-oxazol-5-amine

$$$$ Data

M. F.

C10H10N2O

Suppliers	Catalog Number
ChemBridge	3020103
Matrix Scientific	037421

Database	Data ID
PubChem	4399153

M. W.

174.1992

CAS

86685-97-4

Similarity

N/A

ID: 34665

1-(4-methoxyphenyl)cyclopropane-1-carbonitrile

$$$$ Data

M. F.

C11H11NO

Suppliers	Catalog Number
Matrix Scientific	037422
Apollo Scientific	OR28259
A&J Pharmtech	AJA-O38505

Database	Data ID
PubChem	85574

M. W.

173.21114

CAS

16728-00-0

Similarity

N/A

ID: 34666

1-(4-methoxyphenyl)cyclopentane-1-carbonitrile

$$$$ Data

M. F.

C13H15NO

Suppliers	Catalog Number
Matrix Scientific	037423

Database	Data ID
PubChem	71008

M. W.

201.2643

CAS

1206-15-1

Similarity

N/A

ID: 34667

3,4-diaminobenzohydrazide

$$$$ Data

M. F.

C7H10N4O

Suppliers	Catalog Number
Sigma Aldrich	579750
Alfa Aesar	L05263
Matrix Scientific	037424

Database	Data ID
PubChem	4530104

M. W.

166.1805

CAS

103956-09-8

Similarity

N/A

ID: 34668

1-hexylpiperazine

$$$$ Data

M. F.

C10H22N2

Suppliers	Catalog Number
Sigma Aldrich	94817
Matrix Scientific	037425
Apollo Scientific	OR4146

Database	Data ID
PubChem	2736513

M. W.

170.29508

CAS

51619-55-7

Similarity

N/A

ID: 34669

5-(4-bromophenyl)-1,3,4-thiadiazol-2-amine

$$$$ Data More

M. F.

C8H6BrN3S

Suppliers	Catalog Number
Sigma Aldrich	576034
ChemBridge	5310035
Matrix Scientific	037426

Database	Data ID
PubChem	554215

M. W.

256.12234

CAS

13178-12-6

Similarity

N/A

ID: 34670

2,2,3,3,4,4,5,5-octafluoropentanal

$$$$ Data

M. F.

C5H2F8O

Suppliers	Catalog Number
Matrix Scientific	037427
Apollo Scientific	PC4708

Database	Data ID
PubChem	542849

M. W.

230.0560056

CAS

2648-47-7

Similarity

N/A

ID: 34671

3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoic acid

$$$$ Data More

M. F.

C17H26O3

Suppliers	Catalog Number
Alfa Aesar	B20412
Matrix Scientific	037428
Key Organics	8X-0734

Database	Data ID
PubChem	88389

M. W.

278.38654

CAS

20170-32-5

Similarity

N/A

ID: 34672

4-(4-aminophenyl)aniline

$$$$ Data More

M. F.

C12H12N2

Suppliers	Catalog Number
Sigma Aldrich	B1883 B3503 12115 (more...)
Alfa Aesar	H60995
Matrix Scientific	037429

Database	Data ID
Wikipedia	Benzidine
PubChem	7111

M. W.

184.23708

CAS

92-87-5

Similarity

N/A

ID: 34673

3-amino-3-(4-ethoxyphenyl)propanoic acid

$$$$ Data More

M. F.

C11H15NO3

Suppliers	Catalog Number
ChemBridge	4140247
Matrix Scientific	037430
Key Organics	6R-0617

Database	Data ID
PubChem	591568

M. W.

209.2417

CAS

38499-22-8

Similarity

N/A

ID: 34674

1-(4-methoxyphenyl)butan-1-one

$$$$ Data More

M. F.

C11H14O2

Suppliers	Catalog Number
MP Biomedicals	05204510
Alfa Aesar	A11737
Matrix Scientific	037431

Database	Data ID
PubChem	77810

M. W.

178.22766

CAS

4160-51-4

Similarity

N/A

ID: 34675

1-(4-cyclohexylphenyl)butan-1-one

$$$$ Data

M. F.

C16H22O

Suppliers	Catalog Number
Matrix Scientific	037432

Database	Data ID
PubChem	5122443

M. W.

230.34528

CAS

Similarity

N/A

ID: 34676

1-(2,5-dimethylphenyl)butan-1-one

$$$$ Data

M. F.

C12H16O

Suppliers	Catalog Number
Matrix Scientific	037433

Database	Data ID
PubChem	12399446

M. W.

176.25484

CAS

Similarity

N/A

ID: 34677

2-chloro-6,7-dimethoxyquinazolin-4-amine

$$$$ Data More

M. F.

C10H10ClN3O2

Suppliers	Catalog Number
Sigma Aldrich	518654 66715
Alfa Aesar	A14952
Matrix Scientific	037434

Database	Data ID
PubChem	90235

M. W.

239.6583

CAS

23680-84-4

Similarity

N/A

ID: 34678

1-(4-ethoxyphenyl)butan-1-one

$$$$ Data

M. F.

C12H16O2

Suppliers	Catalog Number
Matrix Scientific	037435

Database	Data ID
PubChem	12399421

M. W.

192.25424

CAS

Similarity

N/A

ID: 34679

2-[(adamantan-1-yl)amino]ethan-1-ol

$$$$ Data

M. F.

C12H21NO

Suppliers	Catalog Number
ChemBridge	7113829
Matrix Scientific	037436

Database	Data ID
PubChem	437855

M. W.

195.30124

CAS

3716-66-3

Similarity

N/A

ID: 34680

3-[(adamantan-1-yl)amino]propan-1-ol

$$$$ Data

M. F.

C13H23NO

Suppliers	Catalog Number
Matrix Scientific	037437

Database	Data ID
PubChem	3010111

M. W.

209.32782

CAS

Similarity

N/A

ID: 34681

2-[(3,5-dimethyladamantan-1-yl)amino]ethan-1-ol

$$$$ Data

M. F.

C14H25NO

Suppliers	Catalog Number
Matrix Scientific	037438

Database	Data ID
PubChem	23009218

M. W.

223.3544

CAS

Similarity

N/A

ID: 34682

1-(3-methoxyphenyl)piperazine

$$$$ Data More

M. F.

C11H16N2O

Suppliers	Catalog Number
Sigma Aldrich	471682
Matrix Scientific	037439
Apollo Scientific	OR6833

Database	Data ID
PubChem	81430

M. W.

192.25754

CAS

16015-71-7

Similarity

N/A

ID: 34683

1-(3-methylphenyl)piperazine

$$$$ Data

M. F.

C11H16N2

Suppliers	Catalog Number
Sigma Aldrich	779822
Matrix Scientific	037440
Enamine	EN300-23498

Database	Data ID
PubChem	83111

M. W.

176.25814

CAS

41186-03-2

Similarity

N/A

ID: 34684

1-(adamantan-1-yl)propan-2-ol

$$$$ Data

M. F.

C13H22O

Suppliers	Catalog Number
Matrix Scientific	037441

Database	Data ID
PubChem	5154050

M. W.

194.31318

CAS

Similarity

N/A

ID: 34685

1-(2,4,5-trimethylphenyl)ethan-1-one

$$$$ Data More

M. F.

C11H14O

Suppliers	Catalog Number
Sigma Aldrich	120855
Alfa Aesar	A10614
Matrix Scientific	037442

Database	Data ID
PubChem	74878

M. W.

162.22826

CAS

2040-07-5

Similarity

N/A

ID: 34686

(2-chlorophenyl)hydrazine hydrochloride

$$$$ Data More

M. F.

C6H8Cl2N2

Suppliers	Catalog Number
Sigma Aldrich	109509 25960
Alfa Aesar	A14136
Matrix Scientific	037443

Database	Data ID
PubChem	443287

M. W.

179.04712

CAS

41052-75-9

Similarity

N/A

ID: 34687

2-(chloromethyl)-1,3,5-trimethylbenzene

$$$$ Data More

M. F.

C10H13Cl

Suppliers	Catalog Number
Sigma Aldrich	136980
Alfa Aesar	L00423
Matrix Scientific	037444

Database	Data ID
PubChem	74108

M. W.

168.66322

CAS

1585-16-6

Similarity

N/A

ID: 34688

2-(phenylformamido)acetic acid

$$$$ Data More

M. F.

C9H9NO3

Suppliers	Catalog Number
Sigma Aldrich	112003 53280
MP Biomedicals	02100115
Alfa Aesar	A12690

Database	Data ID
Wikipedia	Hippuric_acid
PubChem	464

M. W.

179.17266

CAS

495-69-2

Similarity

N/A

ID: 34689

2-(1H-imidazol-4-yl)ethan-1-amine

$$$$ Data More

M. F.

C5H9N3

Suppliers	Catalog Number
Sigma Aldrich	H7125 271659 53290
MP Biomedicals	05204677 02190212
Matrix Scientific	037446

Database	Data ID
Wikipedia	Histamine
PubChem	774

M. W.

111.14506

CAS

56-92-8

Similarity

N/A

ID: 34690

1-(3-chlorophenyl)piperazine hydrochloride

$$$$ Data More

M. F.

C10H14Cl2N2

Suppliers	Catalog Number
Sigma Aldrich	125180
MP Biomedicals	02150651
Alfa Aesar	A14057 H59896

Database	Data ID
PubChem	25681

M. W.

233.13756

CAS

65369-76-8

Similarity

N/A

ID: 34691

2-(chloromethyl)-1,4-dimethylbenzene

$$$$ Data More

M. F.

C9H11Cl

Suppliers	Catalog Number
Sigma Aldrich	126403
Alfa Aesar	L01303
Matrix Scientific	037448

Database	Data ID
PubChem	69987

M. W.

154.63664

CAS

824-45-3

Similarity

N/A

ID: 34692

(3-methylphenyl)methanamine

$$$$ Data More

M. F.

C8H11N

Suppliers	Catalog Number
Sigma Aldrich	126829
Alfa Aesar	L04922
Matrix Scientific	037449

Database	Data ID
PubChem	66015

M. W.

121.17964

CAS

100-81-2

Similarity

N/A

ID: 34693

(3,4-dimethylphenyl)hydrazine

$$$$ Data

M. F.

C8H12N2

Suppliers	Catalog Number
Matrix Scientific	037450

Database	Data ID
PubChem	173741

M. W.

136.19428

CAS

60481-51-8

Similarity

N/A

ID: 34694

benzyl(propan-2-yl)amine

$$$$ Data More

M. F.

C10H15N

Suppliers	Catalog Number
Sigma Aldrich	136964 13490
MP Biomedicals	05212358
Alfa Aesar	B23243

Database	Data ID
Wikipedia	Isopropylbenzylamine
PubChem	66024

M. W.

149.2328

CAS

102-97-6

Similarity

N/A

ID: 34695

piperidin-4-one hydrochloride

$$$$ Data

M. F.

C5H10ClNO

Suppliers	Catalog Number
Matrix Scientific	037452
Enamine	EN300-30129

Database	Data ID
PubChem	3084851

M. W.

135.592

CAS

41979-39-9

Similarity

N/A

ID: 34696

5-chloro-2-methoxybenzene-1-sulfonyl chloride

$$$$ Data More

M. F.

C7H6Cl2O3S

Suppliers	Catalog Number
ChemBridge	3020262
Alfa Aesar	A14362
Matrix Scientific	037453

Database	Data ID
PubChem	2734272

M. W.

241.09174

CAS

22952-32-5

Similarity

N/A

ID: 34697

(4-chlorophenyl)hydrazine hydrochloride

$$$$ Data More

M. F.

C6H8Cl2N2

Suppliers	Catalog Number
Sigma Aldrich	C65807 25980
Alfa Aesar	A14518
Matrix Scientific	037454

Database	Data ID
PubChem	71600

M. W.

179.04712

CAS

1073-70-7

Similarity

N/A

ID: 34698

1-(4-fluorophenyl)piperazine

$$$$ Data More

M. F.

C10H13FN2

Suppliers	Catalog Number
Sigma Aldrich	191337
Alfa Aesar	A14541
Matrix Scientific	037455

Database	Data ID
PubChem	75260

M. W.

180.2220232

CAS

2252-63-3

Similarity

N/A

ID: 34699

1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid

$$$$ Data

M. F.

C14H18O3

Suppliers	Catalog Number
Matrix Scientific	037456
Enamine	EN300-58989

Database	Data ID
PubChem	81979

M. W.

234.29092

CAS

7469-83-2

Similarity

N/A

ID: 34700

(3-chlorophenyl)hydrazine

$$$$ Data

M. F.

C6H7ClN2

Suppliers	Catalog Number
Matrix Scientific	037457

Database	Data ID
PubChem	75332

M. W.

142.58618

CAS

2312-23-4

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