Chembase list of 866358 unique molecular structures

3-chloro-2,6-dimethoxy-5-nitrobenzoic acid

$$$$ Data

M. F.

C9H8ClNO6

Suppliers	Catalog Number
Alfa Aesar	A15988
Maybridge	BTB07671
Apollo Scientific	OR21594

Database	Data ID
PubChem	2774753

M. W.

261.61592

CAS

175135-56-5

Similarity

N/A

ID: 79152

3,5-dichloro-2,6-dimethoxybenzamide

$$$$ Data

M. F.

C9H9Cl2NO3

Suppliers	Catalog Number
Maybridge	BTB07674
Apollo Scientific	OR21595

Database	Data ID
PubChem	2774754

M. W.

250.07866

CAS

90650-25-2

Similarity

N/A

ID: 79153

3-chloro-2,6-dimethoxy-5-nitrobenzamide

$$$$ Data

M. F.

C9H9ClN2O5

Suppliers	Catalog Number
Apollo Scientific	OR21596

Database	Data ID
PubChem	2774755

M. W.

260.63116

CAS

175135-58-7

Similarity

N/A

ID: 79154

4,5-dichloro-2-(3,5-dichlorophenyl)-2,3-dihydropyridazin-3-one

$$$$ Data

M. F.

C10H4Cl4N2O

Suppliers	Catalog Number
Alfa Aesar	B25651
Maybridge	BTB07812
Apollo Scientific	OR21598

Database	Data ID
PubChem	2774756

M. W.

309.96356

CAS

86483-43-4

Similarity

N/A

ID: 79155

4,5-dichloro-2-(4-methylphenyl)-2,3-dihydropyridazin-3-one

$$$$ Data

M. F.

C11H8Cl2N2O

Suppliers	Catalog Number
Maybridge	BTB07813
Apollo Scientific	OR21599

Database	Data ID
PubChem	2774757

M. W.

255.10002

CAS

33098-21-4

Similarity

N/A

ID: 79156

3-chloro-6-[(5-chloropyridin-3-yl)oxy]pyridazine

$$$$ Data

M. F.

C9H5Cl2N3O

Suppliers	Catalog Number
Apollo Scientific	OR21600

Database	Data ID
PubChem	6409787

M. W.

242.0615

CAS

175135-61-2

Similarity

N/A

ID: 79157

furan-2-carbohydrazide

$$$$ Data More

M. F.

C5H6N2O2

Suppliers	Catalog Number
Sigma Aldrich	130443
Alfa Aesar	A13630
Maybridge	BTB07860

Database	Data ID
PubChem	18731

M. W.

126.11334

CAS

3326-71-4

Similarity

N/A

ID: 79158

ethyl 2-[(5-chloropyridin-3-yl)oxy]-5-(2-chloropyridine-3-amido)benzoate

$$$$ Data

M. F.

C20H15Cl2N3O4

Suppliers	Catalog Number
Apollo Scientific	OR21605

Database	Data ID
PubChem	2774763

M. W.

432.2568

CAS

Similarity

N/A

ID: 79159

3,5-dimethylpyrazin-2-amine

$$$$ Data

M. F.

C6H9N3

Suppliers	Catalog Number
Maybridge	BTB07911
Apollo Scientific	OR21606

Database	Data ID
PubChem	2774764

M. W.

123.15576

CAS

91678-81-8

Similarity

N/A

ID: 79160

3,5-dimethyl-2-(1H-pyrrol-1-yl)pyrazine

$$$$ Data

M. F.

C10H11N3

Suppliers	Catalog Number
Apollo Scientific	OR21607

Database	Data ID
PubChem	2774765

M. W.

173.21444

CAS

Similarity

N/A

ID: 79161

4-chloro-N'-(2-chloro-5-nitrobenzoyl)benzohydrazide

$$$$ Data

M. F.

C14H9Cl2N3O4

Suppliers	Catalog Number
Apollo Scientific	OR21609

Database	Data ID
PubChem	3810810

M. W.

354.14496

CAS

Similarity

N/A

ID: 79162

2,3,3-trichloro-N-[6-(4-chlorophenoxy)pyridin-3-yl]prop-2-enamide

$$$$ Data

M. F.

C14H8Cl4N2O2

Suppliers	Catalog Number
Apollo Scientific	OR21610

Database	Data ID
PubChem	2774769

M. W.

378.03752

CAS

Similarity

N/A

ID: 79163

2,3,3-trichloro-N-[6-(4-chloro-2-methylphenoxy)pyridin-3-yl]prop-2-enamide

$$$$ Data

M. F.

C15H10Cl4N2O2

Suppliers	Catalog Number
Apollo Scientific	OR21611

Database	Data ID
PubChem	2774770

M. W.

392.0641

CAS

Similarity

N/A

ID: 79164

2,3,3-trichloro-N-[6-(2,6-dichlorophenoxy)pyridin-3-yl]prop-2-enamide

$$$$ Data

M. F.

C14H7Cl5N2O2

Suppliers	Catalog Number
Apollo Scientific	OR21612

Database	Data ID
PubChem	2774772

M. W.

412.48258

CAS

Similarity

N/A

ID: 79165

2-bromo-N-[6-(4-chloro-2-methylphenoxy)pyridin-3-yl]propanamide

$$$$ Data

M. F.

C15H14BrClN2O2

Suppliers	Catalog Number
Apollo Scientific	OR21613

Database	Data ID
PubChem	2774774

M. W.

369.64086

CAS

Similarity

N/A

ID: 79166

2-(2-chloro-5-nitrophenyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole

$$$$ Data

M. F.

C14H7Cl2N3O3

Suppliers	Catalog Number
Apollo Scientific	OR21614

Database	Data ID
PubChem	2774775

M. W.

336.12968

CAS

Similarity

N/A

ID: 79167

4-tert-butyl-N'-(2-chloro-5-nitrobenzoyl)benzohydrazide

$$$$ Data

M. F.

C18H18ClN3O4

Suppliers	Catalog Number
Apollo Scientific	OR21615

Database	Data ID
PubChem	3307900

M. W.

375.80622

CAS

Similarity

N/A

ID: 79168

3-chloro-N'-(2-chloro-5-nitrobenzoyl)benzohydrazide

$$$$ Data

M. F.

C14H9Cl2N3O4

Suppliers	Catalog Number
Apollo Scientific	OR21616

Database	Data ID
PubChem	3814555

M. W.

354.14496

CAS

Similarity

N/A

ID: 79169

2-(4-tert-butylphenyl)-5-(2-chloro-5-nitrophenyl)-1,3,4-oxadiazole

$$$$ Data

M. F.

C18H16ClN3O3

Suppliers	Catalog Number
Apollo Scientific	OR21617

Database	Data ID
PubChem	2774779

M. W.

357.79094

CAS

Similarity

N/A

ID: 79170

2-(2-chloro-5-nitrophenyl)-5-(3-chlorophenyl)-1,3,4-oxadiazole

$$$$ Data

M. F.

C14H7Cl2N3O3

Suppliers	Catalog Number
Apollo Scientific	OR21618

Database	Data ID
PubChem	2774781

M. W.

336.12968

CAS

Similarity

N/A

ID: 79171

N'-(2-chloro-5-nitrobenzoyl)benzohydrazide

$$$$ Data

M. F.

C14H10ClN3O4

Suppliers	Catalog Number
Apollo Scientific	OR21619

Database	Data ID
PubChem	5708494

M. W.

319.6999

CAS

Similarity

N/A

ID: 79172

1-(2-bromophenyl)ethan-1-ol

$$$$ Data

M. F.

C8H9BrO

Suppliers	Catalog Number
Apollo Scientific	OR2162

Database	Data ID
PubChem	95455

M. W.

201.06046

CAS

5411-56-3

Similarity

N/A

ID: 79173

N'-(2-chloro-5-nitrobenzoyl)-3-methoxybenzohydrazide

$$$$ Data

M. F.

C15H12ClN3O5

Suppliers	Catalog Number
Apollo Scientific	OR21620

Database	Data ID
PubChem	3304287

M. W.

349.72588

CAS

Similarity

N/A

ID: 79174

2,4-dichloro-N'-(2-chloro-5-nitrobenzoyl)benzohydrazide

$$$$ Data

M. F.

C14H8Cl3N3O4

Suppliers	Catalog Number
Apollo Scientific	OR21621

Database	Data ID
PubChem	3521411

M. W.

388.59002

CAS

Similarity

N/A

ID: 79175

2-(2-chloro-5-nitrophenyl)-5-phenyl-1,3,4-oxadiazole

$$$$ Data

M. F.

C14H8ClN3O3

Suppliers	Catalog Number
Apollo Scientific	OR21622

Database	Data ID
PubChem	2774787

M. W.

301.68462

CAS

Similarity

N/A

ID: 79176

2-(2-chloro-5-nitrophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole

$$$$ Data

M. F.

C15H10ClN3O4

Suppliers	Catalog Number
Apollo Scientific	OR21623

Database	Data ID
PubChem	2774789

M. W.

331.7106

CAS

Similarity

N/A

ID: 79177

2-(2-chloro-5-nitrophenyl)-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole

$$$$ Data

M. F.

C14H6Cl3N3O3

Suppliers	Catalog Number
Apollo Scientific	OR21624

Database	Data ID
PubChem	2774791

M. W.

370.57474

CAS

Similarity

N/A

ID: 79178

2,3,3-trichloro-N-{5-[(3-nitropyridin-2-yl)sulfanyl]-1H-1,2,4-triazol-3-yl}prop-...

$$$$ Data

M. F.

C10H5Cl3N6O3S

Suppliers	Catalog Number
Apollo Scientific	OR21625

Database	Data ID
PubChem	4300045

M. W.

395.6091

CAS

Similarity

N/A

ID: 79179

2,3,3-trichloro-N-{5-[(5-nitropyridin-2-yl)sulfanyl]-1H-1,2,4-triazol-3-yl}prop-...

$$$$ Data

M. F.

C10H5Cl3N6O3S

Suppliers	Catalog Number
Apollo Scientific	OR21626

Database	Data ID
PubChem	3316730

M. W.

395.6091

CAS

Similarity

N/A

ID: 79180

2,3,3-trichloro-N-{5-[(2-chloro-6-nitrophenyl)sulfanyl]-1H-1,2,4-triazol-3-yl}pr...

$$$$ Data

M. F.

C11H5Cl4N5O3S

Suppliers	Catalog Number
Apollo Scientific	OR21627

Database	Data ID
PubChem	3770456

M. W.

429.0661

CAS

Similarity

N/A

ID: 79181

N-[(2-bromophenyl)methyl]-3-chloro-2,2-dimethylpropanamide

$$$$ Data

M. F.

C12H15BrClNO

Suppliers	Catalog Number
Apollo Scientific	OR21628

Database	Data ID
PubChem	2774797

M. W.

304.6106

CAS

Similarity

N/A

ID: 79182

3-chloro-N-[2-(2-chlorophenyl)ethyl]-2,2-dimethylpropanamide

$$$$ Data

M. F.

C13H17Cl2NO

Suppliers	Catalog Number
Apollo Scientific	OR21629

Database	Data ID
PubChem	2774799

M. W.

274.18618

CAS

Similarity

N/A

ID: 79183

5-bromo-2-iodobenzamide

$$$$ Data

M. F.

C7H5BrINO

Suppliers	Catalog Number
Apollo Scientific	OR2163
Bide Pharmatech	BD234701
A&J Pharmtech	AJA-O6106

Database	Data ID
PubChem	40428781

M. W.

325.92917

CAS

289039-20-9

Similarity

N/A

ID: 79184

3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2,2-dimethylpropanamide

$$$$ Data

M. F.

C12H23ClN2O

Suppliers	Catalog Number
Apollo Scientific	OR21630

Database	Data ID
PubChem	2774801

M. W.

246.77682

CAS

Similarity

N/A

ID: 79185

3-chloro-N-[(2,3-dimethylphenyl)methyl]-2,2-dimethylpropanamide

$$$$ Data

M. F.

C14H20ClNO

Suppliers	Catalog Number
Apollo Scientific	OR21631

Database	Data ID
PubChem	2774802

M. W.

253.7677

CAS

Similarity

N/A

ID: 79186

3-chloro-N-[(2-chloro-6-methylphenyl)methyl]-2,2-dimethylpropanamide

$$$$ Data

M. F.

C13H17Cl2NO

Suppliers	Catalog Number
Apollo Scientific	OR21632

Database	Data ID
PubChem	2774804

M. W.

274.18618

CAS

Similarity

N/A

ID: 79187

3-chloro-2,2-dimethylpropyl 4-chlorobutanoate

$$$$ Data

M. F.

C9H16Cl2O2

Suppliers	Catalog Number
Apollo Scientific	OR21633

Database	Data ID
PubChem	2774807

M. W.

227.12814

CAS

Similarity

N/A

ID: 79188

3-chloro-N-(3-chloropropyl)-2,2-dimethylpropanamide

$$$$ Data

M. F.

C8H15Cl2NO

Suppliers	Catalog Number
Apollo Scientific	OR21634

Database	Data ID
PubChem	2774810

M. W.

212.1168

CAS

Similarity

N/A

ID: 79189

N-benzyl-3-chloro-2,2-dimethylpropanamide

$$$$ Data

M. F.

C12H16ClNO

Suppliers	Catalog Number
Apollo Scientific	OR21635

Database	Data ID
PubChem	2774813

M. W.

225.71454

CAS

Similarity

N/A

ID: 79190

3-chloro-1-[4-(diphenylmethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one

$$$$ Data

M. F.

C23H28ClNO

Suppliers	Catalog Number
Apollo Scientific	OR21636

Database	Data ID
PubChem	2774815

M. W.

369.92752

CAS

Similarity

N/A

ID: 79191

2-[(4-chlorophenyl)sulfanyl]-5-nitrobenzonitrile

$$$$ Data

M. F.

C13H7ClN2O2S

Suppliers	Catalog Number
Apollo Scientific	OR21637

Database	Data ID
PubChem	706763

M. W.

290.72488

CAS

78940-73-5

Similarity

N/A

ID: 79192

1-(4-methoxyphenyl)-2-sulfanylidene-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-4-one

$$$$ Data

M. F.

C14H11N3O2S

Suppliers	Catalog Number
Maybridge	BTB08213
Apollo Scientific	OR21638

Database	Data ID
PubChem	2774818

M. W.

285.32104

CAS

89374-59-4

Similarity

N/A

ID: 79193

3-(3-chloro-2,2-dimethylpropanoyl)-1-(2-methoxyphenyl)thiourea

$$$$ Data

M. F.

C13H17ClN2O2S

Suppliers	Catalog Number
Apollo Scientific	OR21639

Database	Data ID
PubChem	2774820

M. W.

300.80428

CAS

Similarity

N/A

ID: 79194

4-chloro-3-iodophenol

$$$$ Data

M. F.

C6H4ClIO

Suppliers	Catalog Number
Alfa Aesar	B25547
Apollo Scientific	OR2164

Database	Data ID
PubChem	22928729

M. W.

254.45283

CAS

202982-72-7

Similarity

N/A

ID: 79195

1-(4-bromophenyl)-2-sulfanylidene-1H,2H,3H,4H-pyrido[2,3-d]pyrimidin-4-one

$$$$ Data

M. F.

C13H8BrN3OS

Suppliers	Catalog Number
Apollo Scientific	OR21640

Database	Data ID
PubChem	2774822

M. W.

334.19112

CAS

89374-60-7

Similarity

N/A

ID: 79196

2-bromo-3-(4-chlorobenzoyloxy)-2-nitropropyl 4-chlorobenzoate

$$$$ Data

M. F.

C17H12BrCl2NO6

Suppliers	Catalog Number
Apollo Scientific	OR21641

Database	Data ID
PubChem	2774823

M. W.

477.09028

CAS

Similarity

N/A

ID: 79197

2-bromo-2-nitro-3-(thiophene-2-carbonyloxy)propyl thiophene-2-carboxylate

$$$$ Data

M. F.

C13H10BrNO6S2

Suppliers	Catalog Number
Apollo Scientific	OR21642

Database	Data ID
PubChem	2774824

M. W.

420.2556

CAS

Similarity

N/A

ID: 79198

6-chloro-2-(3,4-dichlorophenyl)imidazo[1,2-b]pyridazine

$$$$ Data

M. F.

C12H6Cl3N3

Suppliers	Catalog Number
Apollo Scientific	OR21643

Database	Data ID
PubChem	2774825

M. W.

298.55514

CAS

Similarity

N/A

ID: 79199

6-chloro-2-(3-nitrophenyl)imidazo[1,2-b]pyridazine

$$$$ Data

M. F.

C12H7ClN4O2

Suppliers	Catalog Number
Apollo Scientific	OR21644

Database	Data ID
PubChem	2774826

M. W.

274.66258

CAS

Similarity

N/A

ID: 79200

methyl 2-(4-hydroxy-3,5-dimethylbenzoyl)benzoate

$$$$ Data

M. F.

C17H16O4

Suppliers	Catalog Number
Apollo Scientific	OR21645

Database	Data ID
PubChem	2774828

M. W.

284.30654

CAS

85604-75-7

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