Chembase list of 866358 unique molecular structures

6-(2,3-dichloro-6-nitrophenyl)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octane

$$$$ Data

M. F.

C16H20Cl2N2O2

Suppliers	Catalog Number
Apollo Scientific	OR21207

Database	Data ID
PubChem	2774288

M. W.

343.2482

CAS

Similarity

N/A

ID: 78802

1-{[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl}pyridin-1-ium chloride

$$$$ Data

M. F.

C14H11ClN4O3

Suppliers	Catalog Number
Apollo Scientific	OR21209

Database	Data ID
PubChem	2774291

M. W.

318.71514

CAS

Similarity

N/A

ID: 78803

N-[(2S,3R,4R,5S,6R)-2,4-bis(benzyloxy)-6-[(benzyloxy)methyl]-5-hydroxyoxan-3-yl]...

$$$$ Data

M. F.

C29H33NO6

Suppliers	Catalog Number
Apollo Scientific	OR2120T
TRC	B212000

Database	Data ID
PubChem	11827086

M. W.

491.57542

CAS

55287-49-5

Similarity

N/A

ID: 78804

5-nitro-2-(1H-pyrrol-1-yl)benzonitrile

$$$$ Data

M. F.

C11H7N3O2

Suppliers	Catalog Number
Maybridge	BTB02905
Apollo Scientific	OR21210

Database	Data ID
PubChem	2774293

M. W.

213.19218

CAS

106981-59-3

Similarity

N/A

ID: 78805

ethyl 2-(4-chloro-3-nitrobenzoyl)benzoate

$$$$ Data

M. F.

C16H12ClNO5

Suppliers	Catalog Number
Apollo Scientific	OR21211

Database	Data ID
PubChem	735770

M. W.

333.72318

CAS

Similarity

N/A

ID: 78806

2-bromo-1-(3,4-dichlorophenyl)ethan-1-one

$$$$ Data More

M. F.

C8H5BrCl2O

Suppliers	Catalog Number
Sigma Aldrich	663174
Alfa Aesar	A13365
Maybridge	BTB02913

Database	Data ID
PubChem	244751

M. W.

267.9347

CAS

2632-10-2

Similarity

N/A

ID: 78807

4-chloro-2-{[5-chloro-2-(2,6-dichlorobenzoyloxy)phenyl]sulfanyl}phenyl 2,6-dichl...

$$$$ Data

M. F.

C26H12Cl6O4S

Suppliers	Catalog Number
Apollo Scientific	OR21213

Database	Data ID
PubChem	2774295

M. W.

633.15408

CAS

Similarity

N/A

ID: 78808

4-chloro-2-({5-chloro-2-[(2-chloroacetyl)oxy]phenyl}sulfanyl)phenyl 2-chloroacet...

$$$$ Data

M. F.

C16H10Cl4O4S

Suppliers	Catalog Number
Apollo Scientific	OR21214

Database	Data ID
PubChem	2774296

M. W.

440.1252

CAS

Similarity

N/A

ID: 78809

4-chloro-2-(5-chloro-2-hydroxybenzenesulfonyl)phenol

$$$$ Data

M. F.

C12H8Cl2O4S

Suppliers	Catalog Number
Apollo Scientific	OR21215

Database	Data ID
PubChem	347976

M. W.

319.16052

CAS

Similarity

N/A

ID: 78810

2-cyano-5-methoxybenzoic acid

$$$$ Data

M. F.

C9H7NO3

Suppliers	Catalog Number
Apollo Scientific	OR21216
Bide Pharmatech	BD74076

Database	Data ID
PubChem	2774298

M. W.

177.15678

CAS

179028-65-0

Similarity

N/A

ID: 78811

2-phenoxypyridine-3-carboxylic acid

$$$$ Data

M. F.

C12H9NO3

Suppliers	Catalog Number
Alfa Aesar	A11247
Maybridge	BTB02988
Apollo Scientific	OR21217

Database	Data ID
PubChem	123450

M. W.

215.20476

CAS

35620-71-4

Similarity

N/A

ID: 78812

4-chloro-2-[5-chloro-2-(2,6-dichlorobenzoyloxy)benzenesulfonyl]phenyl 2,6-dichlo...

$$$$ Data

M. F.

C26H12Cl6O6S

Suppliers	Catalog Number
Apollo Scientific	OR21218

Database	Data ID
PubChem	2774301

M. W.

665.15288

CAS

Similarity

N/A

ID: 78813

2-(methylsulfanyl)-4,5-dihydro-1,3-thiazole hydroiodide

$$$$ Data

M. F.

C4H8INS2

Suppliers	Catalog Number
Apollo Scientific	OR21219

Database	Data ID
PubChem	2774302

M. W.

261.14749

CAS

Similarity

N/A

ID: 78814

2-hydrazinyl-4,5-dihydro-1,3-thiazole hydrobromide

$$$$ Data

M. F.

C3H8BrN3S

Suppliers	Catalog Number
Apollo Scientific	OR21220

Database	Data ID
PubChem	2774303

M. W.

198.08472

CAS

Similarity

N/A

ID: 78815

2-phenoxypyridine-3-carbonyl chloride

$$$$ Data

M. F.

C12H8ClNO2

Suppliers	Catalog Number
Apollo Scientific	OR21221

Database	Data ID
PubChem	2774306

M. W.

233.65042

CAS

51362-49-3

Similarity

N/A

ID: 78816

4-bromo-2,6-dichloroaniline

$$$$ Data More

M. F.

C6H4BrCl2N

Suppliers	Catalog Number
Sigma Aldrich	658820
Alfa Aesar	A14884
Apollo Scientific	OR21224

Database	Data ID
PubChem	69680

M. W.

240.91266

CAS

697-88-1

Similarity

N/A

ID: 78817

2-(chloromethyl)-2-methyl-1,2,3,4-tetrahydroquinazolin-4-one

$$$$ Data

M. F.

C10H11ClN2O

Suppliers	Catalog Number
Apollo Scientific	OR21225

Database	Data ID
PubChem	2774310

M. W.

210.66014

CAS

Similarity

N/A

ID: 78818

5H-chromeno[2,3-b]pyridin-5-one

$$$$ Data

M. F.

C12H7NO2

Suppliers	Catalog Number
Maybridge	BTB03140
Apollo Scientific	OR21226

Database	Data ID
PubChem	659312

M. W.

197.18948

CAS

6537-46-8

Similarity

N/A

ID: 78819

2-methoxy-6-methylphenol

$$$$ Data

M. F.

C8H10O2

Suppliers	Catalog Number
Apollo Scientific	OR21227

Database	Data ID
PubChem	76173

M. W.

138.1638

CAS

2896-67-5

Similarity

N/A

ID: 78820

7-chloro-4-hydrazinylquinoline

$$$$ Data

M. F.

C9H8ClN3

Suppliers	Catalog Number
Sigma Aldrich	158852
Apollo Scientific	OR21228
InterBioScreen	BB_SC-9518

Database	Data ID
PubChem	32109

M. W.

193.63292

CAS

23834-14-2

Similarity

N/A

ID: 78821

2-formyl-4-nitrophenyl methanesulfonate

$$$$ Data

M. F.

C8H7NO6S

Suppliers	Catalog Number
Apollo Scientific	OR21229

Database	Data ID
PubChem	2774314

M. W.

245.20928

CAS

Similarity

N/A

ID: 78822

[1-(5-nitro-1-benzofuran-2-yl)ethylidene]amino 2,3,3-trichloroprop-2-enoate

$$$$ Data

M. F.

C13H7Cl3N2O5

Suppliers	Catalog Number
Apollo Scientific	OR21231

Database	Data ID
PubChem	9582091

M. W.

377.56408

CAS

Similarity

N/A

ID: 78823

5-chloro-2-(2-chloroacetamido)-N-(thiophen-2-ylmethyl)benzamide

$$$$ Data

M. F.

C14H12Cl2N2O2S

Suppliers	Catalog Number
Apollo Scientific	OR21232

Database	Data ID
PubChem	2774318

M. W.

343.22828

CAS

Similarity

N/A

ID: 78824

2-(2-chloroacetamido)-N-(thiophen-2-ylmethyl)benzamide

$$$$ Data

M. F.

C14H13ClN2O2S

Suppliers	Catalog Number
Apollo Scientific	OR21233

Database	Data ID
PubChem	2774319

M. W.

308.78322

CAS

Similarity

N/A

ID: 78825

2,2-dichloro-2-({[3-(4-chlorophenoxy)phenyl]amino}sulfanyl)-N-(2,4,6-trimethylph...

$$$$ Data

M. F.

C23H21Cl3N2O2S

Suppliers	Catalog Number
Apollo Scientific	OR21234

Database	Data ID
PubChem	2774321

M. W.

495.84904

CAS

Similarity

N/A

ID: 78826

2-[4-(chloromethyl)phenyl]-1H-1,3-benzodiazole

$$$$ Data

M. F.

C14H11ClN2

Suppliers	Catalog Number
Apollo Scientific	OR21235

Database	Data ID
PubChem	2774322

M. W.

242.70354

CAS

Similarity

N/A

ID: 78827

4-(chloromethyl)-N-(2-hydroxy-4-methylphenyl)benzamide

$$$$ Data

M. F.

C15H14ClNO2

Suppliers	Catalog Number
Apollo Scientific	OR21236

Database	Data ID
PubChem	2774324

M. W.

275.73016

CAS

Similarity

N/A

ID: 78828

1-{[4-(1H-1,3-benzodiazol-2-yl)phenyl]methyl}pyridin-1-ium chloride

$$$$ Data

M. F.

C19H16ClN3

Suppliers	Catalog Number
Apollo Scientific	OR21237

Database	Data ID
PubChem	2774325

M. W.

321.80344

CAS

Similarity

N/A

ID: 78829

1-{[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]methyl}pyridin-1-ium chloride

$$$$ Data

M. F.

C20H17ClN2O

Suppliers	Catalog Number
Apollo Scientific	OR21238

Database	Data ID
PubChem	2774328

M. W.

336.81478

CAS

Similarity

N/A

ID: 78830

1-{[4-(1,3-benzothiazol-2-yl)phenyl]methyl}pyridin-1-ium chloride

$$$$ Data

M. F.

C19H15ClN2S

Suppliers	Catalog Number
Apollo Scientific	OR21239

Database	Data ID
PubChem	2774330

M. W.

338.8538

CAS

Similarity

N/A

ID: 78831

3-chloropyridazine hydrochloride

$$$$ Data

M. F.

C4H4Cl2N2

Suppliers	Catalog Number
Apollo Scientific	OR2124

Database	Data ID
PubChem	45790889

M. W.

150.99396

CAS

Similarity

N/A

ID: 78832

2-chloro-N-(thiophen-2-ylmethyl)acetamide

$$$$ Data

M. F.

C7H8ClNOS

Suppliers	Catalog Number
Apollo Scientific	OR21240
Enamine	EN300-02060

Database	Data ID
PubChem	1805993

M. W.

189.66252

CAS

21403-27-0

Similarity

N/A

ID: 78833

1-{[(thiophen-2-ylmethyl)carbamoyl]methyl}pyridin-1-ium chloride

$$$$ Data

M. F.

C12H13ClN2OS

Suppliers	Catalog Number
Apollo Scientific	OR21241

Database	Data ID
PubChem	2774332

M. W.

268.76242

CAS

Similarity

N/A

ID: 78834

N-(2-bromoethyl)-2-phenoxypyridine-3-carboxamide

$$$$ Data

M. F.

C14H13BrN2O2

Suppliers	Catalog Number
Apollo Scientific	OR21242
Enamine	EN300-110472

Database	Data ID
PubChem	2774335

M. W.

321.16922

CAS

Similarity

N/A

ID: 78835

N-(2-bromoethyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide

$$$$ Data

M. F.

C13H11BrCl2N2O2

Suppliers	Catalog Number
Apollo Scientific	OR21243

Database	Data ID
PubChem	2774336

M. W.

378.04864

CAS

Similarity

N/A

ID: 78836

3-{[2-(benzenesulfonyl)ethyl]carbamoyl}-2-phenoxypyridin-1-ium-1-olate

$$$$ Data

M. F.

C20H18N2O5S

Suppliers	Catalog Number
Apollo Scientific	OR21244

Database	Data ID
PubChem	2774338

M. W.

398.43232

CAS

Similarity

N/A

ID: 78837

3-{[2-(4-methylbenzenesulfonyl)ethyl]carbamoyl}-2-phenoxypyridin-1-ium-1-olate

$$$$ Data

M. F.

C21H20N2O5S

Suppliers	Catalog Number
Apollo Scientific	OR21245

Database	Data ID
PubChem	2774339

M. W.

412.4589

CAS

Similarity

N/A

ID: 78838

1-(2-{[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamido}ethyl)pyridin-1...

$$$$ Data

M. F.

C18H16BrCl2N3O2

Suppliers	Catalog Number
Apollo Scientific	OR21246

Database	Data ID
PubChem	2774341

M. W.

457.14854

CAS

Similarity

N/A

ID: 78839

ethyl 4-amino-3,5-dichlorobenzoate

$$$$ Data

M. F.

C9H9Cl2NO2

Suppliers	Catalog Number
Apollo Scientific	OR21247

Database	Data ID
PubChem	99328

M. W.

234.07926

CAS

74878-31-2

Similarity

N/A

ID: 78840

1,3-dichloro-5-iodobenzene

$$$$ Data More

M. F.

C6H3Cl2I

Suppliers	Catalog Number
Sigma Aldrich	192546
Alfa Aesar	A13192
Apollo Scientific	OR21248

Database	Data ID
PubChem	76424

M. W.

272.89849

CAS

3032-81-3

Similarity

N/A

ID: 78841

5-methyl-2-phenyl-2H-1,2,3-triazole-4-carbohydrazide

$$$$ Data

M. F.

C10H11N5O

Suppliers	Catalog Number
Maybridge	BTB03569
Apollo Scientific	OR21249

Database	Data ID
PubChem	2774345

M. W.

217.22724

CAS

175135-03-2

Similarity

N/A

ID: 78842

4-(pyridazin-3-yl)benzoic acid

$$$$ Data

M. F.

C11H8N2O2

Suppliers	Catalog Number
Apollo Scientific	OR2125

Database	Data ID
PubChem	18182561

M. W.

200.19342

CAS

216060-22-9

Similarity

N/A

ID: 78843

methyl 5-methyl-2-phenyl-2H-1,2,3-triazole-4-carboxylate

$$$$ Data

M. F.

C11H11N3O2

Suppliers	Catalog Number
Maybridge	BTB03578
Apollo Scientific	OR21250

Database	Data ID
PubChem	2774347

M. W.

217.22394

CAS

7673-93-0

Similarity

N/A

ID: 78844

5-methyl-2-phenyl-2H-1,2,3-triazole-4-carboxamide

$$$$ Data

M. F.

C10H10N4O

Suppliers	Catalog Number
Apollo Scientific	OR21251

Database	Data ID
PubChem	2774349

M. W.

202.2126

CAS

36401-53-3

Similarity

N/A

ID: 78845

N-(5-chloro-2-hydroxyphenyl)-2-(chloromethyl)benzamide

$$$$ Data

M. F.

C14H11Cl2NO2

Suppliers	Catalog Number
Apollo Scientific	OR21252

Database	Data ID
PubChem	2774351

M. W.

296.14864

CAS

Similarity

N/A

ID: 78846

3-hydroxy-2-phenyl-3,4-dihydroquinazolin-4-one

$$$$ Data

M. F.

C14H10N2O2

Suppliers	Catalog Number
Apollo Scientific	OR21254
InterBioScreen	STOCK1N-27170

Database	Data ID
PubChem	351739

M. W.

238.2414

CAS

5319-72-2

Similarity

N/A

ID: 78847

5-bromo-2-hydroxy-3-methoxybenzaldehyde

$$$$ Data More

M. F.

C8H7BrO3

Suppliers	Catalog Number
Sigma Aldrich	410470
Alfa Aesar	A10137
Maybridge	BTB03758

Database	Data ID
PubChem	262238

M. W.

231.04338

CAS

5034-74-2

Similarity

N/A

ID: 78848

3-tert-butyl-1-{[(3,5-dibromo-2-hydroxyphenyl)methylidene]amino}thiourea

$$$$ Data

M. F.

C12H15Br2N3OS

Suppliers	Catalog Number
Apollo Scientific	OR21257

Database	Data ID
PubChem	5708447

M. W.

409.14

CAS

Similarity

N/A

ID: 78849

2-(piperidin-1-yl)benzonitrile

$$$$ Data

M. F.

C12H14N2

Suppliers	Catalog Number
Alfa Aesar	A11784
Apollo Scientific	OR21258

Database	Data ID
PubChem	2774355

M. W.

186.25296

CAS

72752-52-4

Similarity

N/A

ID: 78850

2-(piperidin-1-yl)benzamide

$$$$ Data

M. F.

C12H16N2O

Suppliers	Catalog Number
Maybridge	BTB03853
Apollo Scientific	OR21259

Database	Data ID
PubChem	335067

M. W.

204.26824

CAS

3430-40-8

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