Chembase list of 866358 unique molecular structures

5-methyl-2-(propan-2-ylidene)cyclohexan-1-one

$$$$ Data

M. F.

C10H16O

Suppliers	Catalog Number
Apollo Scientific	OR27726

Database	Data ID
PubChem	6988

M. W.

152.23344

CAS

Similarity

N/A

ID: 84802

2-[2-(chloromethyl)phenyl]ethyl 4-chlorobenzoate

$$$$ Data

M. F.

C16H14Cl2O2

Suppliers	Catalog Number
Apollo Scientific	OR27727

Database	Data ID
PubChem	2794929

M. W.

309.18716

CAS

Similarity

N/A

ID: 84803

2-[2-(chloromethyl)phenyl]ethyl 2-methylbenzoate

$$$$ Data

M. F.

C17H17ClO2

Suppliers	Catalog Number
Apollo Scientific	OR27729

Database	Data ID
PubChem	2794930

M. W.

288.76868

CAS

Similarity

N/A

ID: 84804

3-(tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carbaldehyde

$$$$ Data

M. F.

C11H15BO4

Suppliers	Catalog Number
Apollo Scientific	OR2773
A&J Pharmtech	AJA-O29409

Database	Data ID
PubChem	16414199

M. W.

222.0454

CAS

1055881-23-6

Similarity

N/A

ID: 84805

[4-(acetyloxy)butyl]triphenylphosphanium bromide

$$$$ Data

M. F.

C24H26BrO2P

Suppliers	Catalog Number
Apollo Scientific	OR27730

Database	Data ID
PubChem	2794931

M. W.

457.339801

CAS

Similarity

N/A

ID: 84806

N-{1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-yl}pyridin-2-amine

$$$$ Data

M. F.

C19H26N4O

Suppliers	Catalog Number
Apollo Scientific	OR27731

Database	Data ID
PubChem	609580

M. W.

326.43594

CAS

Similarity

N/A

ID: 84807

4-(1,3-dimethylimidazolidin-2-yl)pyridine

$$$$ Data

M. F.

C10H15N3

Suppliers	Catalog Number
Apollo Scientific	OR27732

Database	Data ID
PubChem	567476

M. W.

177.2462

CAS

Similarity

N/A

ID: 84808

cyclohexanecarboxamide

$$$$ Data

M. F.

C7H13NO

Suppliers	Catalog Number
Sigma Aldrich	227293
Apollo Scientific	OR27734
Enamine	EN300-31269

Database	Data ID
PubChem	14283

M. W.

127.18422

CAS

1122-56-1

Similarity

N/A

ID: 84809

6-chloro-4-(2-chlorophenyl)quinazoline-2-carbaldehyde

$$$$ Data

M. F.

C15H8Cl2N2O

Suppliers	Catalog Number
Maybridge	RH01872
Apollo Scientific	OR27735
TRC	C365200

Database	Data ID
PubChem	617488

M. W.

303.14282

CAS

93955-15-8

Similarity

N/A

ID: 84810

2-[2-(chloromethyl)phenyl]ethyl 2-bromobenzoate

$$$$ Data

M. F.

C16H14BrClO2

Suppliers	Catalog Number
Apollo Scientific	OR27736

Database	Data ID
PubChem	2794933

M. W.

353.63816

CAS

Similarity

N/A

ID: 84811

4-(3-hydroxy-2-methoxyphenyl)butan-2-one

$$$$ Data

M. F.

C11H14O3

Suppliers	Catalog Number
Apollo Scientific	OR27737

Database	Data ID
PubChem	586455

M. W.

194.22706

CAS

Similarity

N/A

ID: 84812

6-nitro-2,3-dihydro-1,4-benzodioxine

$$$$ Data

M. F.

C8H7NO4

Suppliers	Catalog Number
Sigma Aldrich	548790
Apollo Scientific	OR27738
TRC	N495850

Database	Data ID
PubChem	85460

M. W.

181.14548

CAS

16498-20-7

Similarity

N/A

ID: 84813

(2,4-dinitrophenyl)hydrazine

$$$$ Data More

M. F.

C6H6N4O4

Suppliers	Catalog Number
Sigma Aldrich	D199303 18189 42210 (more...)
MP Biomedicals	02150122
Apollo Scientific	OR27739

Database	Data ID
Wikipedia	2,4-Dinitrophenylhydrazine
PubChem	3772977

M. W.

198.13624

CAS

119-26-6

Similarity

N/A

ID: 84814

4-(tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carbaldehyde

$$$$ Data

M. F.

C11H15BO4

Suppliers	Catalog Number
Apollo Scientific	OR2774
A&J Pharmtech	AJA-O31525

Database	Data ID
PubChem	3547541

M. W.

222.0454

CAS

846023-58-3

Similarity

N/A

ID: 84815

2-bromo-N-(2-methoxyphenyl)propanamide

$$$$ Data

M. F.

C10H12BrNO2

Suppliers	Catalog Number
Apollo Scientific	OR27740

Database	Data ID
PubChem	2794934

M. W.

258.11178

CAS

Similarity

N/A

ID: 84816

2-chloro-N'-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]acetohydrazide

$$$$ Data

M. F.

C15H16ClN3O2

Suppliers	Catalog Number
Apollo Scientific	OR27742

Database	Data ID
PubChem	2794935

M. W.

305.75944

CAS

Similarity

N/A

ID: 84817

diethyl (2-{8,9-dioxo-2,6-diazabicyclo[5.2.0]non-1(7)-en-2-yl}ethyl)phosphonate

$$$$ Data

M. F.

C13H21N2O5P

Suppliers	Catalog Number
Apollo Scientific	OR27744

Database	Data ID
PubChem	2794936

M. W.

316.290001

CAS

Similarity

N/A

ID: 84818

2-chloro-N-[2-(4-chlorophenoxy)pyridin-3-yl]acetamide

$$$$ Data

M. F.

C13H10Cl2N2O2

Suppliers	Catalog Number
Apollo Scientific	OR27745

Database	Data ID
PubChem	2794937

M. W.

297.1367

CAS

Similarity

N/A

ID: 84819

1-[4-(1H-indol-3-yl)piperidin-1-yl]ethan-1-one

$$$$ Data

M. F.

C15H18N2O

Suppliers	Catalog Number
Maybridge	RH01995
Apollo Scientific	OR27746

Database	Data ID
PubChem	2728359

M. W.

242.31622

CAS

30030-83-2

Similarity

N/A

ID: 84820

(3-formyl-1-phenyl-1H-pyrazol-5-yl)methyl acetate

$$$$ Data

M. F.

C13H12N2O3

Suppliers	Catalog Number
Apollo Scientific	OR27747

Database	Data ID
PubChem	2794938

M. W.

244.24598

CAS

Similarity

N/A

ID: 84821

4-chloro-2-phenylquinazoline

$$$$ Data More

M. F.

C14H9ClN2

Suppliers	Catalog Number
Sigma Aldrich	162434
Apollo Scientific	OR27748
Bide Pharmatech	BD29313

Database	Data ID
PubChem	80977

M. W.

240.68766

CAS

6484-25-9

Similarity

N/A

ID: 84822

3-chloro-N'-[4-(2,5-dimethyl-1H-pyrrol-1-yl)benzoyl]propanehydrazide

$$$$ Data

M. F.

C16H18ClN3O2

Suppliers	Catalog Number
Apollo Scientific	OR27749

Database	Data ID
PubChem	2794939

M. W.

319.78602

CAS

Similarity

N/A

ID: 84823

(4-formylfuran-2-yl)boronic acid

$$$$ Data

M. F.

C5H5BO4

Suppliers	Catalog Number
Apollo Scientific	OR2775
Bide Pharmatech	BD2646
A&J Pharmtech	AJA-O35718

Database	Data ID
PubChem	2736495

M. W.

139.9018

CAS

62306-78-9

Similarity

N/A

ID: 84824

2-[2-(chloromethyl)phenyl]ethyl 4-methylbenzoate

$$$$ Data

M. F.

C17H17ClO2

Suppliers	Catalog Number
Apollo Scientific	OR27750

Database	Data ID
PubChem	2794940

M. W.

288.76868

CAS

Similarity

N/A

ID: 84825

2-[(2-phenylquinolin-4-yl)oxy]-1-(piperidin-1-yl)ethan-1-one

$$$$ Data

M. F.

C22H22N2O2

Suppliers	Catalog Number
Apollo Scientific	OR27751

Database	Data ID
PubChem	2794941

M. W.

346.42228

CAS

Similarity

N/A

ID: 84826

N-[2-(4-tert-butylphenoxy)pyridin-3-yl]-6-chloropyridine-3-carboxamide

$$$$ Data

M. F.

C21H20ClN3O2

Suppliers	Catalog Number
Apollo Scientific	OR27753

Database	Data ID
PubChem	2794942

M. W.

381.8554

CAS

Similarity

N/A

ID: 84827

4-bromobutyl acetate

$$$$ Data More

M. F.

C6H11BrO2

Suppliers	Catalog Number
Sigma Aldrich	227579
Alfa Aesar	A15632
Apollo Scientific	OR27754

Database	Data ID
PubChem	78491

M. W.

195.05434

CAS

4753-59-7

Similarity

N/A

ID: 84828

4-chloro-6-methoxy-2-phenylquinoline

$$$$ Data

M. F.

C16H12ClNO

Suppliers	Catalog Number
Apollo Scientific	OR27755

Database	Data ID
PubChem	737014

M. W.

269.72558

CAS

50593-72-1

Similarity

N/A

ID: 84829

2-chloro-N-{2-[(4-methylphenyl)sulfanyl]pyridin-3-yl}acetamide

$$$$ Data

M. F.

C14H13ClN2OS

Suppliers	Catalog Number
Apollo Scientific	OR27756

Database	Data ID
PubChem	2794943

M. W.

292.78382

CAS

Similarity

N/A

ID: 84830

ethyl 4-chloro-2-phenylquinoline-6-carboxylate

$$$$ Data

M. F.

C18H14ClNO2

Suppliers	Catalog Number
Apollo Scientific	OR27757

Database	Data ID
PubChem	2794944

M. W.

311.76226

CAS

Similarity

N/A

ID: 84831

ethyl 2-[2-methyl-5-(propan-2-yl)-1H-indol-3-yl]acetate

$$$$ Data

M. F.

C16H21NO2

Suppliers	Catalog Number
Apollo Scientific	OR27759

Database	Data ID
PubChem	2794945

M. W.

259.34344

CAS

Similarity

N/A

ID: 84832

(R)-[(2S,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl](quinolin-4-yl)methanol

$$$$ Data

M. F.

C19H22N2O

Suppliers	Catalog Number
Apollo Scientific	OR2776

Database	Data ID
PubChem	1248597

M. W.

294.39078

CAS

485-71-2

Similarity

N/A

ID: 84833

2-methyl-4-(piperazin-1-yl)quinoline

$$$$ Data

M. F.

C14H17N3

Suppliers	Catalog Number
Maybridge	RH02136
Apollo Scientific	OR27760

Database	Data ID
PubChem	702318

M. W.

227.30488

CAS

82241-22-3

Similarity

N/A

ID: 84834

2-benzyl-4-chloro-5-methoxy-2,3-dihydropyridazin-3-one

$$$$ Data

M. F.

C12H11ClN2O2

Suppliers	Catalog Number
Apollo Scientific	OR27762

Database	Data ID
PubChem	737015

M. W.

250.68094

CAS

Similarity

N/A

ID: 84835

7-(diethylamino)-2-oxo-2H-chromene-3-carboxylic acid

$$$$ Data More

M. F.

C14H15NO4

Suppliers	Catalog Number
Sigma Aldrich	36799
Maybridge	RH02173
Apollo Scientific	OR27766

Database	Data ID
PubChem	659294

M. W.

261.2732

CAS

50995-74-9

Similarity

N/A

ID: 84836

2-bromo-4-(hydroxymethyl)-6-methoxyphenol

$$$$ Data

M. F.

C8H9BrO3

Suppliers	Catalog Number
Apollo Scientific	OR27768

Database	Data ID
PubChem	2794947

M. W.

233.05926

CAS

Similarity

N/A

ID: 84837

2,2-dimethyl-5-nitro-2H-1,3-benzodiazole trihydrate

$$$$ Data

M. F.

C9H15N3O5

Suppliers	Catalog Number
Apollo Scientific	OR27769

Database	Data ID
PubChem	2728507

M. W.

245.2325

CAS

306935-58-0

Similarity

N/A

ID: 84838

tert-butyl 3-formyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxyl...

$$$$ Data

M. F.

C20H26BNO5

Suppliers	Catalog Number
Apollo Scientific	OR2777
Bide Pharmatech	BD230107
A&J Pharmtech	AJA-O29093

Database	Data ID
PubChem	16414194

M. W.

371.23514

CAS

1025707-92-9

Similarity

N/A

ID: 84839

ethyl 4,6-dichloro-3-formyl-1H-indole-2-carboxylate

$$$$ Data

M. F.

C12H9Cl2NO3

Suppliers	Catalog Number
Maybridge	RH02212
Apollo Scientific	OR27770
A&J Pharmtech	AJA-O35563

Database	Data ID
PubChem	2794948

M. W.

286.11076

CAS

153435-96-2

Similarity

N/A

ID: 84840

2-[(3-chloropyrazin-2-yl)amino]ethan-1-ol

$$$$ Data

M. F.

C6H8ClN3O

Suppliers	Catalog Number
Apollo Scientific	OR27773

Database	Data ID
PubChem	2794949

M. W.

173.60022

CAS

84066-20-6

Similarity

N/A

ID: 84841

8-chloro-2H,3H-imidazo[1,2-a]pyrazine hydrochloride

$$$$ Data

M. F.

C6H7Cl2N3

Suppliers	Catalog Number
Apollo Scientific	OR27774

Database	Data ID
PubChem	2794950

M. W.

192.04588

CAS

143592-06-7

Similarity

N/A

ID: 84842

2-(dichloromethyl)-1H-1,3-benzodiazole hydrochloride

$$$$ Data

M. F.

C8H7Cl3N2

Suppliers	Catalog Number
Apollo Scientific	OR27777

Database	Data ID
PubChem	76640

M. W.

237.51358

CAS

Similarity

N/A

ID: 84843

(2S,3S,4R,5S,6S)-4,5-bis(acetyloxy)-2-azido-6-methyloxan-3-yl acetate

$$$$ Data

M. F.

C12H17N3O7

Suppliers	Catalog Number
Apollo Scientific	OR27778

Database	Data ID
PubChem	71299487

M. W.

315.27928

CAS

Similarity

N/A

ID: 84844

(2R,3R,4S,5R)-1,6-dibromohexane-2,3,4,5-tetrol

$$$$ Data

M. F.

C6H12Br2O4

Suppliers	Catalog Number
Apollo Scientific	OR27780

Database	Data ID
PubChem	71299488

M. W.

307.96508

CAS

Similarity

N/A

ID: 84845

4-amino-6-methyl-3-(phenylamino)-4,5-dihydro-1,2,4-triazin-5-one

$$$$ Data

M. F.

C10H11N5O

Suppliers	Catalog Number
Apollo Scientific	OR27781

Database	Data ID
PubChem	737018

M. W.

217.22724

CAS

Similarity

N/A

ID: 84846

(2E)-1,3-diphenylprop-2-en-1-one

$$$$ Data More

M. F.

C15H12O

Suppliers	Catalog Number
Sigma Aldrich	136123 11970
Alfa Aesar	A14734
Apollo Scientific	OR27782 OR59877

Database	Data ID
Wikipedia	Chalcone
PubChem	637760

M. W.

208.25518

CAS

614-47-1

Similarity

N/A

ID: 84847

1-(2-chlorophenyl)-3-phenylprop-2-en-1-one

$$$$ Data

M. F.

C15H11ClO

Suppliers	Catalog Number
Apollo Scientific	OR27783

Database	Data ID
PubChem	5712109

M. W.

242.70024

CAS

Similarity

N/A

ID: 84848

1-(3-nitrophenyl)-3-phenylprop-2-en-1-one

$$$$ Data

M. F.

C15H11NO3

Suppliers	Catalog Number
Apollo Scientific	OR27784

Database	Data ID
PubChem	5712110

M. W.

253.25274

CAS

16619-21-9

Similarity

N/A

ID: 84849

1-(4-nitrophenyl)-3-phenylprop-2-en-1-one

$$$$ Data

M. F.

C15H11NO3

Suppliers	Catalog Number
Apollo Scientific	OR27785

Database	Data ID
PubChem	5291959

M. W.

253.25274

CAS

Similarity

N/A

ID: 84850

1-(4-bromophenyl)-3-phenylprop-2-en-1-one

$$$$ Data

M. F.

C15H11BrO

Suppliers	Catalog Number
Apollo Scientific	OR27786
Enamine	EN300-35647

Database	Data ID
PubChem	5355204

M. W.

287.15124

CAS

22966-23-0

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