Chembase list of 866358 unique molecular structures

2-chloro-4-methoxypyridine-3-carbonitrile

$$$$ Data

M. F.

C7H5ClN2O

Suppliers	Catalog Number
Alfa Aesar	H50531
Apollo Scientific	OR5835
A&J Pharmtech	AJA-O40274

Database	Data ID
PubChem	1470930

M. W.

168.5804

CAS

98645-43-3

Similarity

N/A

ID: 90052

(4aS,7S,8R,8aS)-7-acetamido-6-hydroxy-2,2-dimethyl-hexahydro-2H-pyrano[3,2-d][1,...

$$$$ Data

M. F.

C13H21NO7

Suppliers	Catalog Number
Apollo Scientific	OR5835T

Database	Data ID
PubChem	71299563

M. W.

303.30834

CAS

Similarity

N/A

ID: 90053

tert-butyl(chloro)diphenylsilane

$$$$ Data More

M. F.

C16H19ClSi

Suppliers	Catalog Number
Sigma Aldrich	195537 702730 19938
MP Biomedicals	02154908
Alfa Aesar	A12721

Database	Data ID
PubChem	94078

M. W.

274.86056

CAS

58479-61-1

Similarity

N/A

ID: 90054

4-phenylbenzoic acid

$$$$ Data More

M. F.

C13H10O2

Suppliers	Catalog Number
Sigma Aldrich	B34729 14421
MP Biomedicals	05205810
Alfa Aesar	A12438

Database	Data ID
PubChem	66724

M. W.

198.2173

CAS

92-92-2

Similarity

N/A

ID: 90055

5-amino-3H-1,2,4-dithiazole-3-thione

$$$$ Data

M. F.

C2H2N2S3

Suppliers	Catalog Number
Apollo Scientific	OR5839

Database	Data ID
PubChem	2735329

M. W.

150.24568

CAS

6846-35-1

Similarity

N/A

ID: 90056

N-[(3R,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide

$$$$ Data

M. F.

C8H16N2O4

Suppliers	Catalog Number
Apollo Scientific	OR5840T

Database	Data ID
PubChem	71299564

M. W.

204.22364

CAS

105265-96-1

Similarity

N/A

ID: 90057

N,N-diethyl-4-methylaniline

$$$$ Data

M. F.

C11H17N

Suppliers	Catalog Number
MP Biomedicals	05207010
Apollo Scientific	OR5841

Database	Data ID
PubChem	69177

M. W.

163.25938

CAS

613-48-9

Similarity

N/A

ID: 90058

5-bromo-4,6-dimethylpyrimidine

$$$$ Data

M. F.

C6H7BrN2

Suppliers	Catalog Number
Apollo Scientific	OR5845

Database	Data ID
PubChem	14922221

M. W.

187.03718

CAS

Similarity

N/A

ID: 90059

ethyl 4,6-dimethylpyrimidine-5-carboxylate

$$$$ Data

M. F.

C9H12N2O2

Suppliers	Catalog Number
Apollo Scientific	OR5846
A&J Pharmtech	AJA-O23854

Database	Data ID
PubChem	20619427

M. W.

180.20378

CAS

305794-79-0

Similarity

N/A

ID: 90060

pyrimidin-2-amine

$$$$ Data More

M. F.

C4H5N3

Suppliers	Catalog Number
Sigma Aldrich	A78608 09380
MP Biomedicals	02100635
Alfa Aesar	B24594

Database	Data ID
PubChem	7978

M. W.

95.1026

CAS

109-12-6

Similarity

N/A

ID: 90061

2,6-dimethoxy-3-nitropyridine

$$$$ Data

M. F.

C7H8N2O4

Suppliers	Catalog Number
Apollo Scientific	OR5849

Database	Data ID
PubChem	715195

M. W.

184.14942

CAS

Similarity

N/A

ID: 90062

sodium (2S,3S,4S,5R,6R)-6-(4-acetamidophenoxy)-3,4,5-trihydroxyoxane-2-carboxyla...

$$$$ Data

M. F.

C14H16NNaO8

Suppliers	Catalog Number
Apollo Scientific	OR5850T

Database	Data ID
PubChem	71299565

M. W.

349.26851

CAS

120595-80-4

Similarity

N/A

ID: 90063

methyl (2R)-2-amino-4-methylpentanoate hydrochloride

$$$$ Data

M. F.

C7H16ClNO2

Suppliers	Catalog Number
Apollo Scientific	OR5853

Database	Data ID
PubChem	11600782

M. W.

181.66044

CAS

7517-19-3

Similarity

N/A

ID: 90064

(2S)-2-aminobutan-1-ol

$$$$ Data More

M. F.

C4H11NO

Suppliers	Catalog Number
Sigma Aldrich	132527 07178
MP Biomedicals	05225208
Alfa Aesar	L11449

Database	Data ID
PubChem	120084

M. W.

89.13624

CAS

5856-63-3

Similarity

N/A

ID: 90065

(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol

$$$$ Data More

M. F.

C7H17NO5

Suppliers	Catalog Number
Sigma Aldrich	M2004 M47000 66930 (more...)
Apollo Scientific	OR5855
Chemik	CHO0056

Database	Data ID
PubChem	8567

M. W.

195.21358

CAS

6284-40-8

Similarity

N/A

ID: 90066

(2R)-1-amino-3-(morpholin-4-yl)propan-2-ol

$$$$ Data

M. F.

C7H16N2O2

Suppliers	Catalog Number
Apollo Scientific	OR5856
Enamine	EN300-107395

Database	Data ID
PubChem	1380974

M. W.

160.21414

CAS

Similarity

N/A

ID: 90067

(2S,3R)-3-[(1S)-1-[(tert-butyldimethylsilyl)oxy]ethyl]-4-oxoazetidin-2-yl acetat...

$$$$ Data

M. F.

C13H25NO4Si

Suppliers	Catalog Number
Apollo Scientific	OR5857

Database	Data ID
PubChem	13073897

M. W.

287.4274

CAS

76855-69-1

Similarity

N/A

ID: 90068

nitromethanesulfonylbenzene

$$$$ Data

M. F.

C7H7NO4S

Suppliers	Catalog Number
Sigma Aldrich	79179
Apollo Scientific	OR5859

Database	Data ID
PubChem	88854

M. W.

201.19978

CAS

21272-85-5

Similarity

N/A

ID: 90069

(1R,4R)-4-{[(tert-butoxy)carbonyl]amino}cyclopent-2-ene-1-carboxylic acid

$$$$ Data

M. F.

C11H17NO4

Suppliers	Catalog Number
Apollo Scientific	OR5861
Bide Pharmatech	BD209371

Database	Data ID
PubChem	7168126

M. W.

227.25698

CAS

298716-03-7

Similarity

N/A

ID: 90070

N,N-diphenylaniline

$$$$ Data More

M. F.

C18H15N

Suppliers	Catalog Number
Sigma Aldrich	T81604 92930
MP Biomedicals	05219520
Alfa Aesar	A15939

Database	Data ID
Wikipedia	Triphenylamine
PubChem	11775

M. W.

245.3184

CAS

603-34-9

Similarity

N/A

ID: 90071

3-chloropyridine

$$$$ Data More

M. F.

C5H4ClN

Suppliers	Catalog Number
Sigma Aldrich	C70002
MP Biomedicals	05205641
Alfa Aesar	B24316

Database	Data ID
PubChem	12287

M. W.

113.54496

CAS

626-60-8

Similarity

N/A

ID: 90072

(1S,2R)-2-amino-1-(4-nitrophenyl)propane-1,3-diol

$$$$ Data

M. F.

C9H12N2O4

Suppliers	Catalog Number
Apollo Scientific	OR5869

Database	Data ID
PubChem	673659

M. W.

212.20258

CAS

2964-48-9

Similarity

N/A

ID: 90073

(2R)-2-aminobutan-1-ol

$$$$ Data More

M. F.

C4H11NO

Suppliers	Catalog Number
Sigma Aldrich	307084 07180
MP Biomedicals	05225887
Alfa Aesar	B25212

Database	Data ID
PubChem	2723856

M. W.

89.13624

CAS

5856-62-2

Similarity

N/A

ID: 90074

6-methoxy-2-N-(propan-2-yl)-1,3,5-triazine-2,4-diamine

$$$$ Data

M. F.

C7H13N5O

Suppliers	Catalog Number
Apollo Scientific	OR5876

Database	Data ID
PubChem	2735355

M. W.

183.21102

CAS

82020-90-4

Similarity

N/A

ID: 90075

(2S)-2-methylpiperazine

$$$$ Data More

M. F.

C5H12N2

Suppliers	Catalog Number
Sigma Aldrich	397172
Alfa Aesar	L20075 L14429
Apollo Scientific	OR5877

Database	Data ID
PubChem	2734219

M. W.

100.16218

CAS

74879-18-8

Similarity

N/A

ID: 90076

(2S)-1-benzyl-2-methylpiperazine

$$$$ Data

M. F.

C12H18N2

Suppliers	Catalog Number
Apollo Scientific	OR5878
Bide Pharmatech	BD148159
A&J Pharmtech	AJA-O14843

Database	Data ID
PubChem	28406010

M. W.

190.28472

CAS

511254-92-5

Similarity

N/A

ID: 90077

(2R)-2-(2-methylphenoxymethyl)oxirane

$$$$ Data

M. F.

C10H12O2

Suppliers	Catalog Number
Apollo Scientific	OR5879

Database	Data ID
PubChem	1551452

M. W.

164.20108

CAS

Similarity

N/A

ID: 90078

(2S)-2-(4-methoxyphenoxymethyl)oxirane

$$$$ Data

M. F.

C10H12O3

Suppliers	Catalog Number
Apollo Scientific	OR5880

Database	Data ID
PubChem	736950

M. W.

180.20048

CAS

Similarity

N/A

ID: 90079

(2S)-2-(2-methylphenoxymethyl)oxirane

$$$$ Data

M. F.

C10H12O2

Suppliers	Catalog Number
Apollo Scientific	OR5881

Database	Data ID
PubChem	1715099

M. W.

164.20108

CAS

Similarity

N/A

ID: 90080

(2R)-2-(4-methoxyphenoxymethyl)oxirane

$$$$ Data

M. F.

C10H12O3

Suppliers	Catalog Number
Apollo Scientific	OR5882

Database	Data ID
PubChem	736949

M. W.

180.20048

CAS

Similarity

N/A

ID: 90081

3-(piperidin-1-ylmethyl)piperidine

$$$$ Data

M. F.

C11H22N2

Suppliers	Catalog Number
ChemBridge	4010587
Apollo Scientific	OR5890

Database	Data ID
PubChem	12802904

M. W.

182.30578

CAS

81310-56-7

Similarity

N/A

ID: 90082

hex-5-ene-1,2-diol

$$$$ Data

M. F.

C6H12O2

Suppliers	Catalog Number
Apollo Scientific	OR5893

Database	Data ID
PubChem	2736512

M. W.

116.15828

CAS

36842-44-1

Similarity

N/A

ID: 90083

2-[(4-aminophenyl)sulfanyl]acetic acid

$$$$ Data More

M. F.

C8H9NO2S

Suppliers	Catalog Number
Sigma Aldrich	50281
MP Biomedicals	05203972
Alfa Aesar	A19834

Database	Data ID
PubChem	66907

M. W.

183.22756

CAS

104-18-7

Similarity

N/A

ID: 90084

N,N-dimethylpiperidin-3-amine

$$$$ Data

M. F.

C7H16N2

Suppliers	Catalog Number
ChemBridge	4018212
Apollo Scientific	OR5899
Enamine	EN300-66435

Database	Data ID
PubChem	14459854

M. W.

128.21534

CAS

50534-49-1

Similarity

N/A

ID: 90085

methyl 4-bromo-7-methoxy-2H-1,3-benzodioxole-5-carboxylate

$$$$ Data

M. F.

C10H9BrO5

Suppliers	Catalog Number
Apollo Scientific	OR5901
Bide Pharmatech	BD22714

Database	Data ID
PubChem	11449108

M. W.

289.07946

CAS

81474-46-6

Similarity

N/A

ID: 90086

methyl 2-bromo-3,4-dihydroxy-5-methoxybenzoate

$$$$ Data

M. F.

C9H9BrO5

Suppliers	Catalog Number
Apollo Scientific	OR5902

Database	Data ID
PubChem	11357878

M. W.

277.06876

CAS

Similarity

N/A

ID: 90087

methyl 3,4,5-trihydroxybenzoate

$$$$ Data More

M. F.

C8H8O5

Suppliers	Catalog Number
Sigma Aldrich	274194 48690
BioBioPha	BBP03155
MP Biomedicals	05203483 02157182

Database	Data ID
PubChem	7428

M. W.

184.14612

CAS

99-24-1

Similarity

N/A

ID: 90088

2,4-dichloro-1-[(E)-2-nitroethenyl]benzene

$$$$ Data

M. F.

C8H5Cl2NO2

Suppliers	Catalog Number
Sigma Aldrich	642169
Apollo Scientific	OR5923

Database	Data ID
PubChem	690125

M. W.

218.0368

CAS

18984-21-9

Similarity

N/A

ID: 90089

2-[(4-aminophenyl)(ethyl)amino]ethan-1-ol; sulfuric acid

$$$$ Data

M. F.

C10H18N2O5S

Suppliers	Catalog Number
MP Biomedicals	05215214
Apollo Scientific	OR5926
Enamine	EN300-19098

Database	Data ID
PubChem	2756529

M. W.

278.32532

CAS

4327-84-8

Similarity

N/A

ID: 90090

3-bromo-5-chloro-2-hydroxybenzaldehyde

$$$$ Data More

M. F.

C7H4BrClO2

Suppliers	Catalog Number
Sigma Aldrich	497592
Alfa Aesar	A13449
Apollo Scientific	OR5927

Database	Data ID
PubChem	519676

M. W.

235.46246

CAS

19652-32-5

Similarity

N/A

ID: 90091

methyl 3,5-bis(acetyloxy)benzoate

$$$$ Data

M. F.

C12H12O6

Suppliers	Catalog Number
Apollo Scientific	OR5928

Database	Data ID
PubChem	7474700

M. W.

252.22008

CAS

Similarity

N/A

ID: 90092

pyridin-4-amine

$$$$ Data More

M. F.

C5H6N2

Suppliers	Catalog Number
Sigma Aldrich	275875 A78403 36687 (more...)
MP Biomedicals	02150366 05213134
Alfa Aesar	A12405

Database	Data ID
Wikipedia	4-Aminopyridine
PubChem	1727

M. W.

94.11454

CAS

504-24-5

Similarity

N/A

ID: 90093

methyl 4-bromo-3,5-dimethoxybenzoate

$$$$ Data

M. F.

C10H11BrO4

Suppliers	Catalog Number
Apollo Scientific	OR5931

Database	Data ID
PubChem	117713

M. W.

275.09594

CAS

Similarity

N/A

ID: 90094

2-methyl-1H-indol-5-amine

$$$$ Data More

M. F.

C9H10N2

Suppliers	Catalog Number
Sigma Aldrich	525588
Alfa Aesar	B21694
Maybridge	AC34875

Database	Data ID
PubChem	2733992

M. W.

146.1891

CAS

7570-49-2

Similarity

N/A

ID: 90095

2-(3-bromophenyl)-5-methyl-1,3,4-oxadiazole

$$$$ Data

M. F.

C9H7BrN2O

Suppliers	Catalog Number
ChemBridge	4010245
Apollo Scientific	OR59322
Enamine	EN300-79253

Database	Data ID
PubChem	26966989

M. W.

239.06868

CAS

41491-53-6

Similarity

N/A

ID: 90096

2-(3-bromophenyl)-5-propyl-1,3,4-oxadiazole

$$$$ Data

M. F.

C11H11BrN2O

Suppliers	Catalog Number
Apollo Scientific	OR59323

Database	Data ID
PubChem	26966991

M. W.

267.12184

CAS

957065-95-1

Similarity

N/A

ID: 90097

5-methylpyridin-3-amine hydrochloride

$$$$ Data

M. F.

C6H9ClN2

Suppliers	Catalog Number
Apollo Scientific	OR59324

Database	Data ID
PubChem	44119582

M. W.

144.60206

CAS

957065-90-6

Similarity

N/A

ID: 90098

2-(3-bromophenyl)-5-tert-butyl-1,3,4-oxadiazole

$$$$ Data

M. F.

C12H13BrN2O

Suppliers	Catalog Number
Apollo Scientific	OR59325
A&J Pharmtech	AJA-O5161

Database	Data ID
PubChem	26966993

M. W.

281.14842

CAS

957065-96-2

Similarity

N/A

ID: 90099

2-(3-bromophenyl)-5-(thiophen-2-yl)-1,3,4-oxadiazole

$$$$ Data

M. F.

C12H7BrN2OS

Suppliers	Catalog Number
Apollo Scientific	OR59326

Database	Data ID
PubChem	26966995

M. W.

307.16578

CAS

957065-93-9

Similarity

N/A

ID: 90100

1,1-dimethyl cyclobutane-1,1-dicarboxylate

$$$$ Data

M. F.

C8H12O4

Suppliers	Catalog Number
Alfa Aesar	L12250
Apollo Scientific	OR59327

Database	Data ID
PubChem	7021469

M. W.

172.17848

CAS

10224-72-3

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