Chembase list of 866358 unique molecular structures

$$$$ Data More

M. F.

C4F6O3

Suppliers	Catalog Number
Sigma Aldrich	87865 91720 91719 (more...)
MP Biomedicals	02190285 05219309
Alfa Aesar	A13614

Database	Data ID
Wikipedia	Trifluoroacetic_anhydride
PubChem	9845

M. W.

210.0314192

CAS

407-25-0

Similarity

N/A

ID: 99502

1-(5-fluoro-2-methoxy-3-nitrophenyl)ethan-1-one

$$$$ Data

M. F.

C9H8FNO4

Suppliers	Catalog Number
Apollo Scientific	PC7172

Database	Data ID
PubChem	2758998

M. W.

213.1625232

CAS

685892-18-6

Similarity

N/A

ID: 99503

[3-(trifluoromethyl)pyridin-2-yl]methanamine

$$$$ Data

M. F.

C7H7F3N2

Suppliers	Catalog Number
Apollo Scientific	PC7173
A&J Pharmtech	AJA-O25581

Database	Data ID
PubChem	3830223

M. W.

176.1390896

CAS

886371-24-0

Similarity

N/A

ID: 99504

2-bromo-5-chloro-4-fluoroaniline

$$$$ Data

M. F.

C6H4BrClFN

Suppliers	Catalog Number
Apollo Scientific	PC7174

Database	Data ID
PubChem	11424638

M. W.

224.4580632

CAS

85462-59-5

Similarity

N/A

ID: 99505

[5-(trifluoromethyl)pyridin-3-yl]boronic acid

$$$$ Data

M. F.

C6H5BF3NO2

Suppliers	Catalog Number
Apollo Scientific	PC7177
A&J Pharmtech	AJA-O21355

Database	Data ID
PubChem	45158900

M. W.

190.9156096

CAS

1084953-47-8

Similarity

N/A

ID: 99506

4-(tetramethyl-1,3,2-dioxaborolan-2-yl)butanenitrile

$$$$ Data

M. F.

C10H18BNO2

Suppliers	Catalog Number
Alfa Aesar	H27126
Apollo Scientific	PC7178

Database	Data ID
PubChem	11183176

M. W.

195.06642

CAS

238088-16-9

Similarity

N/A

ID: 99507

4-(trifluoromethyl)pyrimidine

$$$$ Data

M. F.

C5H3F3N2

Suppliers	Catalog Number
Apollo Scientific	PC7179

Database	Data ID
PubChem	15074799

M. W.

148.0859296

CAS

Similarity

N/A

ID: 99508

1,1,1-trifluoropropan-2-one

$$$$ Data More

M. F.

C3H3F3O

Suppliers	Catalog Number
Sigma Aldrich	T62804 91680
Alfa Aesar	A13556
Apollo Scientific	PC7180

Database	Data ID
PubChem	9871

M. W.

112.0505296

CAS

421-50-1

Similarity

N/A

ID: 99509

{3-fluoro-4-[(2-hydroxyethyl)carbamoyl]phenyl}boronic acid

$$$$ Data

M. F.

C9H11BFNO4

Suppliers	Catalog Number
Apollo Scientific	PC7183
Bide Pharmatech	BD231587

Database	Data ID
PubChem	44717645

M. W.

226.9973432

CAS

874289-21-1

Similarity

N/A

ID: 99510

(2,4-difluoro-5-nitrophenyl)boronic acid

$$$$ Data More

M. F.

C6H4BF2NO4

Suppliers	Catalog Number
Alfa Aesar	H53039
Apollo Scientific	PC7184
Bide Pharmatech	BD3201

Database	Data ID
PubChem	3790358

M. W.

202.9080664

CAS

325786-11-6

Similarity

N/A

ID: 99511

3,3,3-trifluoro-2-hydroxy-2-methylpropanenitrile

$$$$ Data

M. F.

C4H4F3NO

Suppliers	Catalog Number
Alfa Aesar	L11318
Apollo Scientific	PC7185

Database	Data ID
PubChem	274400

M. W.

139.0758696

CAS

335-08-0

Similarity

N/A

ID: 99512

6-fluoro-4-hydrazinylquinoline

$$$$ Data

M. F.

C9H8FN3

Suppliers	Catalog Number
Apollo Scientific	PC7186
A&J Pharmtech	AJA-O39687

Database	Data ID
PubChem	17039615

M. W.

177.1783232

CAS

49612-09-1

Similarity

N/A

ID: 99513

4-hydrazinyl-7-(trifluoromethyl)quinoline

$$$$ Data

M. F.

C10H8F3N3

Suppliers	Catalog Number
Apollo Scientific	PC7187
A&J Pharmtech	AJA-O39685

Database	Data ID
PubChem	15585954

M. W.

227.1858296

CAS

49612-01-3

Similarity

N/A

ID: 99514

4-hydrazinyl-8-(trifluoromethyl)quinoline

$$$$ Data More

M. F.

C10H8F3N3

Suppliers	Catalog Number
Apollo Scientific	PC7188
InterBioScreen	BB_SC-8632
Enamine	EN300-110530

Database	Data ID
PubChem	15151238

M. W.

227.1858296

CAS

57369-92-3

Similarity

N/A

ID: 99515

8-fluoro-2-methylquinolin-4-ol

$$$$ Data More

M. F.

C10H8FNO

Suppliers	Catalog Number
Apollo Scientific	PC7189
Life Chemicals	F2156-0045
Enamine	EN300-110894

Database	Data ID
PubChem	15395998

M. W.

177.1750232

CAS

5288-22-2

Similarity

N/A

ID: 99516

[3-methyl-5-(trifluoromethoxy)phenyl]methanol

$$$$ Data

M. F.

C9H9F3O2

Suppliers	Catalog Number
Alfa Aesar	H32483
Apollo Scientific	PC7192

Database	Data ID
PubChem	46737540

M. W.

206.1617696

CAS

Similarity

N/A

ID: 99517

chloro[(2-fluorophenyl)methyl]zinc

$$$$ Data

M. F.

C7H6ClFZn

Suppliers	Catalog Number
Sigma Aldrich	498580
Alfa Aesar	H58614
Apollo Scientific	PC7193

Database	Data ID
PubChem	2778664

M. W.

209.9539432

CAS

312693-05-3

Similarity

N/A

ID: 99518

1-bromo-3-(2,2,2-trifluoroethoxy)benzene

$$$$ Data

M. F.

C8H6BrF3O

Suppliers	Catalog Number
Apollo Scientific	PC7194
A&J Pharmtech	AJA-O23721

Database	Data ID
PubChem	24705331

M. W.

255.0318496

CAS

888327-41-1

Similarity

N/A

ID: 99519

7-fluoro-3-methylquinolin-2-amine

$$$$ Data

M. F.

C10H9FN2

Suppliers	Catalog Number
Apollo Scientific	PC7195
A&J Pharmtech	AJA-O39704

Database	Data ID
PubChem	17039637

M. W.

176.1902632

CAS

203506-29-0

Similarity

N/A

ID: 99520

2,8-bis(trifluoromethyl)quinolin-4-amine

$$$$ Data

M. F.

C11H6F6N2

Suppliers	Catalog Number
Apollo Scientific	PC7196
A&J Pharmtech	AJA-O24655

Database	Data ID
PubChem	17039641

M. W.

280.1691592

CAS

917561-99-0

Similarity

N/A

ID: 99521

6-fluoro-2-methylquinolin-4-amine

$$$$ Data More

M. F.

C10H9FN2

Suppliers	Catalog Number
Apollo Scientific	PC7197
Life Chemicals	F2156-0070
InterBioScreen	BB_SC-5911

Database	Data ID
PubChem	4738501

M. W.

176.1902632

CAS

288151-49-5

Similarity

N/A

ID: 99522

2-methyl-8-(trifluoromethyl)quinolin-4-amine

$$$$ Data

M. F.

C11H9F3N2

Suppliers	Catalog Number
Apollo Scientific	PC7198
InterBioScreen	BB_SC-7813
A&J Pharmtech	AJA-O24659

Database	Data ID
PubChem	17039643

M. W.

226.1977696

CAS

147147-73-7

Similarity

N/A

ID: 99523

2-methyl-7-(trifluoromethyl)quinolin-4-amine

$$$$ Data

M. F.

C11H9F3N2

Suppliers	Catalog Number
Apollo Scientific	PC7199
A&J Pharmtech	AJA-O35478

Database	Data ID
PubChem	17039644

M. W.

226.1977696

CAS

917562-00-6

Similarity

N/A

ID: 99524

1-(2,3,4-trifluorophenyl)ethan-1-one

$$$$ Data

M. F.

C8H5F3O

Suppliers	Catalog Number
Alfa Aesar	H26541
Apollo Scientific	PC7202D
Bide Pharmatech	BD236584

Database	Data ID
PubChem	2776902

M. W.

174.1199096

CAS

243448-15-9

Similarity

N/A

ID: 99525

chloro(3-fluoro-2-methylphenyl)magnesium

$$$$ Data

M. F.

C7H6ClFMg

Suppliers	Catalog Number
Sigma Aldrich	570818
Alfa Aesar	H54113
Apollo Scientific	PC7204

Database	Data ID
PubChem	16217251

M. W.

168.8789432

CAS

480424-74-6

Similarity

N/A

ID: 99526

6,8-difluoroquinolin-4-ol

$$$$ Data

M. F.

C9H5F2NO

Suppliers	Catalog Number
Apollo Scientific	PC7213

Database	Data ID
PubChem	2736980

M. W.

181.1389064

CAS

243448-16-0

Similarity

N/A

ID: 99527

3-fluoro-1H-indole

$$$$ Data

M. F.

C8H6FN

Suppliers	Catalog Number
Apollo Scientific	PC7228

Database	Data ID
PubChem	12377725

M. W.

135.1383432

CAS

66946-81-4

Similarity

N/A

ID: 99528

1-fluoropropan-2-ol

$$$$ Data

M. F.

C3H7FO

Suppliers	Catalog Number
Apollo Scientific	PC7229

Database	Data ID
PubChem	101671

M. W.

78.0854832

CAS

430-50-2

Similarity

N/A

ID: 99529

2-amino-2-(2,5-difluorophenyl)acetic acid

$$$$ Data

M. F.

C8H7F2NO2

Suppliers	Catalog Number
Apollo Scientific	PC7231
Enamine	EN300-65628

Database	Data ID
PubChem	2737051

M. W.

187.1434864

CAS

Similarity

N/A

ID: 99530

6-fluoroquinazoline-2,4-diamine

$$$$ Data

M. F.

C8H7FN4

Suppliers	Catalog Number
Apollo Scientific	PC7232

Database	Data ID
PubChem	456220

M. W.

178.1663832

CAS

Similarity

N/A

ID: 99531

7-fluoroquinazoline-2,4-diamine

$$$$ Data

M. F.

C8H7FN4

Suppliers	Catalog Number
Apollo Scientific	PC7233

Database	Data ID
PubChem	456221

M. W.

178.1663832

CAS

Similarity

N/A

ID: 99532

8-fluoroquinazoline-2,4-diamine

$$$$ Data

M. F.

C8H7FN4

Suppliers	Catalog Number
Apollo Scientific	PC7234

Database	Data ID
PubChem	1238756

M. W.

178.1663832

CAS

Similarity

N/A

ID: 99533

methyl 3-(cyclopropylamino)-2-(2,4-dichloro-5-fluorobenzoyl)prop-2-enoate

$$$$ Data

M. F.

C14H12Cl2FNO3

Suppliers	Catalog Number
Sigma Aldrich	531928
Apollo Scientific	PC7235

Database	Data ID
PubChem	13273349

M. W.

332.1543832

CAS

105392-26-5

Similarity

N/A

ID: 99534

1-[3-(4-fluorophenoxy)propyl]piperazine

$$$$ Data

M. F.

C13H19FN2O

Suppliers	Catalog Number
Apollo Scientific	PC7237

Database	Data ID
PubChem	1873396

M. W.

238.3011632

CAS

Similarity

N/A

ID: 99535

4,6-difluoro-1H-1,3-benzodiazole

$$$$ Data

M. F.

C7H4F2N2

Suppliers	Catalog Number
Apollo Scientific	PC7239

Database	Data ID
PubChem	237870

M. W.

154.1168664

CAS

Similarity

N/A

ID: 99536

2-amino-2-(trifluoromethyl)pentanoic acid

$$$$ Data

M. F.

C6H10F3NO2

Suppliers	Catalog Number
Apollo Scientific	PC7241
Enamine	EN300-90130

Database	Data ID
PubChem	2777564

M. W.

185.1443096

CAS

Similarity

N/A

ID: 99537

3,3,4,4,4-pentafluoro-2-methylbutan-2-ol

$$$$ Data

M. F.

C5H7F5O

Suppliers	Catalog Number
Apollo Scientific	PC7242

Database	Data ID
PubChem	19022260

M. W.

178.100496

CAS

374-46-9

Similarity

N/A

ID: 99538

4-bromo-2-fluoro-1-propoxybenzene

$$$$ Data

M. F.

C9H10BrFO

Suppliers	Catalog Number
Alfa Aesar	H31660
Apollo Scientific	PC7244

Database	Data ID
PubChem	14618247

M. W.

233.0775032

CAS

127326-77-6

Similarity

N/A

ID: 99539

chloro[(2-chloro-6-fluorophenyl)methyl]magnesium

$$$$ Data

M. F.

C7H5Cl2FMg

Suppliers	Catalog Number
Alfa Aesar	H54643
Apollo Scientific	PC7246

Database	Data ID
PubChem	2778674

M. W.

203.3240032

CAS

Similarity

N/A

ID: 99540

(4-bromo-1-fluoronaphthalen-2-yl)boronic acid

$$$$ Data More

M. F.

C10H7BBrFO2

Suppliers	Catalog Number
Alfa Aesar	H52911
Apollo Scientific	PC7247
Bide Pharmatech	BD229986

Database	Data ID
PubChem	44717647

M. W.

268.8747832

CAS

913836-09-6

Similarity

N/A

ID: 99541

(4-{[2-(trifluoromethyl)phenyl]carbamoyl}phenyl)boronic acid

$$$$ Data

M. F.

C14H11BF3NO3

Suppliers	Catalog Number
Alfa Aesar	H52940
Apollo Scientific	PC7248

Database	Data ID
PubChem	44717648

M. W.

309.0482496

CAS

913835-42-4

Similarity

N/A

ID: 99542

[2-(trifluoromethoxy)phenyl]methanesulfonyl chloride

$$$$ Data

M. F.

C8H6ClF3O3S

Suppliers	Catalog Number
Apollo Scientific	PC7251

Database	Data ID
PubChem	14183306

M. W.

274.6446496

CAS

116827-38-4

Similarity

N/A

ID: 99543

1-(chloromethyl)-2-fluoro-4-(trifluoromethyl)benzene

$$$$ Data

M. F.

C8H5ClF4

Suppliers	Catalog Number
Apollo Scientific	PC7252

Database	Data ID
PubChem	21463583

M. W.

212.5719128

CAS

Similarity

N/A

ID: 99544

ethyl 3-(2,4-difluorophenyl)prop-2-enoate

$$$$ Data

M. F.

C11H10F2O2

Suppliers	Catalog Number
Apollo Scientific	PC7253

Database	Data ID
PubChem	17748196

M. W.

212.1927064

CAS

Similarity

N/A

ID: 99545

6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecyl prop-2-enoate

$$$$ Data

M. F.

C14H13F13O2

Suppliers	Catalog Number
Apollo Scientific	PC7254

Database	Data ID
PubChem	44717649

M. W.

460.2310616

CAS

Similarity

N/A

ID: 99546

2,2,2-trifluoro-1-(morpholin-4-yl)ethan-1-one

$$$$ Data

M. F.

C6H8F3NO2

Suppliers	Catalog Number
Apollo Scientific	PC7255
Chemik	CHHZ19300

Database	Data ID
PubChem	544636

M. W.

183.1284296

CAS

360-95-2

Similarity

N/A

ID: 99547

1-bromo-2-ethenyl-4-fluorobenzene

$$$$ Data

M. F.

C8H6BrF

Suppliers	Catalog Number
Apollo Scientific	PC7261

Database	Data ID
PubChem	11241089

M. W.

201.0356432

CAS

828267-47-6

Similarity

N/A

ID: 99548

1-(difluoromethoxy)-2-iodobenzene

$$$$ Data

M. F.

C7H5F2IO

Suppliers	Catalog Number
Apollo Scientific	PC7263
Chemik	CHB86352

Database	Data ID
PubChem	15945938

M. W.

270.0152764

CAS

Similarity

N/A

ID: 99549

[3-fluoro-4-(propylcarbamoyl)phenyl]boronic acid

$$$$ Data

M. F.

C10H13BFNO3

Suppliers	Catalog Number
Alfa Aesar	H54436
Apollo Scientific	PC7267
Bide Pharmatech	BD231529

Database	Data ID
PubChem	44717676

M. W.

225.0245232

CAS

874289-15-3

Similarity

N/A

ID: 99550

methyl 1-(4-fluorophenyl)-6-oxo-1,6-dihydropyridine-3-carboxylate

$$$$ Data

M. F.

C13H10FNO3

Suppliers	Catalog Number
Apollo Scientific	PC7268
Bide Pharmatech	BD230139

Database	Data ID
PubChem	26986032

M. W.

247.2218032

CAS

929000-81-7

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