Chembase list of 866358 unique molecular structures

$$$$ Data More

M. F.

C7H7F

Suppliers	Catalog Number
Sigma Aldrich	F15323 47520
MP Biomedicals	05213097
Alfa Aesar	A16912

Database	Data ID
PubChem	7241

M. W.

110.1288832

CAS

95-52-3

Similarity

N/A

ID: 97302

methyl 3-(trifluoromethoxy)benzoate

$$$$ Data More

M. F.

C9H7F3O3

Suppliers	Catalog Number
Alfa Aesar	L09914
Apollo Scientific	PC4312
TRC	M330875

Database	Data ID
PubChem	519012

M. W.

220.1452896

CAS

148438-00-0

Similarity

N/A

ID: 97303

2,3,5,6-tetrafluorophenyl 2,2,2-trifluoroacetate

$$$$ Data

M. F.

C8HF7O2

Suppliers	Catalog Number
Apollo Scientific	PC4314

Database	Data ID
PubChem	15334258

M. W.

262.0811624

CAS

142685-25-4

Similarity

N/A

ID: 97304

5,11-dinitro-8-(trifluoromethyl)-8-thiatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),...

$$$$ Data

M. F.

C14H6F6N2O7S2

Suppliers	Catalog Number
Apollo Scientific	PC4321

Database	Data ID
PubChem	2777514

M. W.

492.3270592

CAS

129922-37-8

Similarity

N/A

ID: 97305

1,1,2,2,3,4,4,5,5,6-decafluoro-3,6-bis(trifluoromethyl)cyclohexane

$$$$ Data

M. F.

C8F16

Suppliers	Catalog Number
Apollo Scientific	PC4322

Database	Data ID
PubChem	221051

M. W.

400.0600512

CAS

374-77-6

Similarity

N/A

ID: 97306

1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(pentafluoroethyl)cyclohexane

$$$$ Data

M. F.

C8F16

Suppliers	Catalog Number
Apollo Scientific	PC4325

Database	Data ID
PubChem	9552

M. W.

400.0600512

CAS

335-21-7

Similarity

N/A

ID: 97307

3,5,7,8-tetrabromo-2,2,3,4,4,5,6,6,7,8,8-undecafluorooctanenitrile

$$$$ Data

M. F.

C8Br4F11N

Suppliers	Catalog Number
Apollo Scientific	PC4331

Database	Data ID
PubChem	2776551

M. W.

638.6907352

CAS

Similarity

N/A

ID: 97308

2,3,5,6-tetrafluorobenzoyl chloride

$$$$ Data

M. F.

C7HClF4O

Suppliers	Catalog Number
Alfa Aesar	L18681
Apollo Scientific	PC4332

Database	Data ID
PubChem	2734028

M. W.

212.5288528

CAS

107535-73-9

Similarity

N/A

ID: 97309

1,7,7-trimethyl-3-(trifluoroacetyl)bicyclo[2.2.1]heptan-2-one

$$$$ Data

M. F.

C12H15F3O2

Suppliers	Catalog Number
Apollo Scientific	PC4334

Database	Data ID
PubChem	521351

M. W.

248.2415096

CAS

51800-98-7

Similarity

N/A

ID: 97310

(4,4,4-trifluorobutyl)benzene

$$$$ Data

M. F.

C10H11F3

Suppliers	Catalog Number
Apollo Scientific	PC4337

Database	Data ID
PubChem	2777080

M. W.

188.1895496

CAS

104315-86-8

Similarity

N/A

ID: 97311

5-[3-(trifluoromethoxy)phenyl]-1H-1,2,3,4-tetrazole

$$$$ Data

M. F.

C8H5F3N4O

Suppliers	Catalog Number
Alfa Aesar	L15268
Apollo Scientific	PC4339

Database	Data ID
PubChem	2777350

M. W.

230.1467096

CAS

216144-09-1

Similarity

N/A

ID: 97312

5-(4-methoxyphenyl)-2-(trifluoromethyl)furan-3-carboxylic acid

$$$$ Data

M. F.

C13H9F3O4

Suppliers	Catalog Number
Apollo Scientific	PC4341

Database	Data ID
PubChem	2775275

M. W.

286.2033696

CAS

Similarity

N/A

ID: 97313

1,1,1-trifluoro-5-methylhexane-2,4-dione

$$$$ Data

M. F.

C7H9F3O2

Suppliers	Catalog Number
Apollo Scientific	PC4342

Database	Data ID
PubChem	160191

M. W.

182.1403696

CAS

30984-28-2

Similarity

N/A

ID: 97314

[3-(trifluoromethyl)phenyl]urea

$$$$ Data

M. F.

C8H7F3N2O

Suppliers	Catalog Number
Apollo Scientific	PC4344

Database	Data ID
PubChem	25712

M. W.

204.1491896

CAS

13114-87-9

Similarity

N/A

ID: 97315

3-[(trifluoromethyl)sulfanyl]phenol

$$$$ Data

M. F.

C7H5F3OS

Suppliers	Catalog Number
Apollo Scientific	PC4346

Database	Data ID
PubChem	2777892

M. W.

194.1742096

CAS

3823-40-3

Similarity

N/A

ID: 97316

2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethan-1-one

$$$$ Data

M. F.

C9H4F6O

Suppliers	Catalog Number
Sigma Aldrich	370630
Apollo Scientific	PC4349

Database	Data ID
PubChem	136559

M. W.

242.1178792

CAS

721-37-9

Similarity

N/A

ID: 97317

2-[2,6-dichloro-4-(trifluoromethyl)phenyl]acetic acid

$$$$ Data

M. F.

C9H5Cl2F3O2

Suppliers	Catalog Number
Apollo Scientific	PC4352

Database	Data ID
PubChem	2736872

M. W.

273.0360096

CAS

132992-36-0

Similarity

N/A

ID: 97318

2,2,2-trifluoro-1-[4-(trifluoromethyl)phenyl]ethan-1-one

$$$$ Data

M. F.

C9H4F6O

Suppliers	Catalog Number
Sigma Aldrich	370649
Apollo Scientific	PC4353

Database	Data ID
PubChem	144683

M. W.

242.1178792

CAS

74853-66-0

Similarity

N/A

ID: 97319

2,2,2-trifluoro-1-(2,4,6-trimethylphenyl)ethan-1-one

$$$$ Data

M. F.

C11H11F3O

Suppliers	Catalog Number
Sigma Aldrich	420476
Apollo Scientific	PC4354

Database	Data ID
PubChem	520521

M. W.

216.1996496

CAS

313-56-4

Similarity

N/A

ID: 97320

N-tert-butyl-4-fluoro-2-nitroaniline

$$$$ Data

M. F.

C10H13FN2O2

Suppliers	Catalog Number
Apollo Scientific	PC4355

Database	Data ID
PubChem	2736446

M. W.

212.2208232

CAS

Similarity

N/A

ID: 97321

3-(difluoromethoxy)phenol

$$$$ Data

M. F.

C7H6F2O2

Suppliers	Catalog Number
Apollo Scientific	PC4356
Chemik	CHB83167
A&J Pharmtech	AJA-O7147

Database	Data ID
PubChem	2774122

M. W.

160.1181464

CAS

88798-13-4

Similarity

N/A

ID: 97322

1,1,2-trichloro-2-fluoroethene

$$$$ Data

M. F.

C2Cl3F

Suppliers	Catalog Number
Apollo Scientific	PC4358

Database	Data ID
PubChem	71084

M. W.

149.3788032

CAS

359-29-5

Similarity

N/A

ID: 97323

1,1-dibromo-2-fluoroethene

$$$$ Data

M. F.

C2HBr2F

Suppliers	Catalog Number
Apollo Scientific	PC4362

Database	Data ID
PubChem	15721050

M. W.

203.8357432

CAS

358-96-3

Similarity

N/A

ID: 97324

1,2-dibromo-1-fluoroethene

$$$$ Data

M. F.

C2HBr2F

Suppliers	Catalog Number
Apollo Scientific	PC4364

Database	Data ID
PubChem	15721051

M. W.

203.8357432

CAS

Similarity

N/A

ID: 97325

2,2-difluoro-2H-1,3-benzodioxole-5-carboxylic acid

$$$$ Data

M. F.

C8H4F2O4

Suppliers	Catalog Number
Alfa Aesar	B23610
Apollo Scientific	PC4367
A&J Pharmtech	AJA-O40099

Database	Data ID
PubChem	608772

M. W.

202.1117664

CAS

656-46-2

Similarity

N/A

ID: 97326

1,2-difluoro-4-methyl-5-nitrobenzene

$$$$ Data

M. F.

C7H5F2NO2

Suppliers	Catalog Number
Apollo Scientific	PC4368

Database	Data ID
PubChem	2756252

M. W.

173.1169064

CAS

127371-50-0

Similarity

N/A

ID: 97327

2-fluoro-6-(trifluoromethyl)benzamide

$$$$ Data

M. F.

C8H5F4NO

Suppliers	Catalog Number
Sigma Aldrich	539619
Apollo Scientific	PC4371U

Database	Data ID
PubChem	2737542

M. W.

207.1250128

CAS

144851-59-2

Similarity

N/A

ID: 97328

[4-fluoro-2-(trifluoromethyl)phenyl](phenyl)methanone

$$$$ Data

M. F.

C14H8F4O

Suppliers	Catalog Number
Apollo Scientific	PC4374K

Database	Data ID
PubChem	2737555

M. W.

268.2063328

CAS

Similarity

N/A

ID: 97329

[2-fluoro-4-(trifluoromethyl)phenyl]methanamine

$$$$ Data

M. F.

C8H7F4N

Suppliers	Catalog Number
Alfa Aesar	L11462
Apollo Scientific	PC4374U

Database	Data ID
PubChem	2737566

M. W.

193.1414928

CAS

239087-05-9

Similarity

N/A

ID: 97330

[2-fluoro-6-(trifluoromethyl)phenyl]methanamine

$$$$ Data

M. F.

C8H7F4N

Suppliers	Catalog Number
Apollo Scientific	PC4374W
A&J Pharmtech	AJA-O3570

Database	Data ID
PubChem	2774790

M. W.

193.1414928

CAS

239087-06-0

Similarity

N/A

ID: 97331

2-[4-fluoro-2-(trifluoromethyl)phenyl]acetonitrile

$$$$ Data More

M. F.

C9H5F4N

Suppliers	Catalog Number
Sigma Aldrich	650749
Apollo Scientific	PC4377L
Chemik	CHB14300

Database	Data ID
PubChem	2737602

M. W.

203.1363128

CAS

80141-94-2

Similarity

N/A

ID: 97332

1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-one

$$$$ Data

M. F.

C10H8F4O

Suppliers	Catalog Number
Alfa Aesar	B24552
Apollo Scientific	PC4377Q

Database	Data ID
PubChem	2737607

M. W.

220.1635328

CAS

208173-16-4

Similarity

N/A

ID: 97333

1-[2-fluoro-6-(trifluoromethyl)phenyl]propan-1-one

$$$$ Data

M. F.

C10H8F4O

Suppliers	Catalog Number
Apollo Scientific	PC4377S

Database	Data ID
PubChem	2737611

M. W.

220.1635328

CAS

Similarity

N/A

ID: 97334

1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-1-one

$$$$ Data

M. F.

C10H8F4O

Suppliers	Catalog Number
Apollo Scientific	PC4377U

Database	Data ID
PubChem	2737615

M. W.

220.1635328

CAS

Similarity

N/A

ID: 97335

1-fluoro-2,4,6-trimethylpyridin-1-ium; tetrafluoroboranuide

$$$$ Data

M. F.

C8H11BF5N

Suppliers	Catalog Number
Sigma Aldrich	439312
Apollo Scientific	PC4377WE

Database	Data ID
PubChem	2779309

M. W.

226.982656

CAS

109705-14-8

Similarity

N/A

ID: 97336

1-fluoro-2,4,6-trimethylpyridin-1-ium trifluoromethanesulfonate

$$$$ Data

M. F.

C9H11F4NO3S

Suppliers	Catalog Number
Sigma Aldrich	738115 378216
Apollo Scientific	PC4377Y

Database	Data ID
PubChem	2724575

M. W.

289.2471528

CAS

107264-00-6

Similarity

N/A

ID: 97337

2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid

$$$$ Data More

M. F.

C11H11FN2O2

Suppliers	Catalog Number
Sigma Aldrich	F0896 47570 47570
MP Biomedicals	05210177
Apollo Scientific	PC4377Z

Database	Data ID
PubChem	9577

M. W.

222.2156432

CAS

154-08-5

Similarity

N/A

ID: 97338

(2R)-2-amino-3-(3-fluoro-4-hydroxyphenyl)propanoic acid

$$$$ Data

M. F.

C9H10FNO3

Suppliers	Catalog Number
Apollo Scientific	PC4378

Database	Data ID
PubChem	719318

M. W.

199.1790032

CAS

7423-96-3

Similarity

N/A

ID: 97339

2-amino-3-(3-fluoro-4-hydroxyphenyl)propanoic acid

$$$$ Data More

M. F.

C9H10FNO3

Suppliers	Catalog Number
Sigma Aldrich	F4505 138401
Alfa Aesar	L01479
Apollo Scientific	PC4379

Database	Data ID
PubChem	92100

M. W.

199.1790032

CAS

403-90-7

Similarity

N/A

ID: 97340

2-fluoro-1,3-dimethylbenzene

$$$$ Data More

M. F.

C8H9F

Suppliers	Catalog Number
Sigma Aldrich	452866
Alfa Aesar	A10424
Maybridge	CD05584

Database	Data ID
PubChem	123065

M. W.

124.1554632

CAS

443-88-9

Similarity

N/A

ID: 97341

docosafluoro-dodecahydro-1H-fluorene

$$$$ Data

M. F.

C13F22

Suppliers	Catalog Number
Apollo Scientific	PC4381R PC6008

Database	Data ID
PubChem	2776345

M. W.

574.1039704

CAS

307-08-4

Similarity

N/A

ID: 97342

difluoromethanediol; hexafluoropropane-1,2-diol

$$$$ Data

M. F.

C4H4F8O4

Suppliers	Catalog Number
Alfa Aesar	L17548
Apollo Scientific	PC4384 PC4382 PC4386F (more...)

Database	Data ID
PubChem	16212018

M. W.

268.0593856

CAS

69991-67-9

Similarity

N/A

ID: 97343

N-(4-ethoxyphenyl)-4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-amine

$$$$ Data

M. F.

C18H17FN2OS

Suppliers	Catalog Number
Apollo Scientific	PC4385

Database	Data ID
PubChem	2737149

M. W.

328.4037832

CAS

Similarity

N/A

ID: 97344

pentafluorophenyl 1-methyl-1H-imidazole-4-carboxylate

$$$$ Data

M. F.

C11H5F5N2O2

Suppliers	Catalog Number
Maybridge	CC03626
Apollo Scientific	PC4386

Database	Data ID
PubChem	18525699

M. W.

292.161616

CAS

898288-88-5

Similarity

N/A

ID: 97345

gadolinium(3+) ion trifluoride

$$$$ Data

M. F.

F3Gd

Suppliers	Catalog Number
Alfa Aesar	41412 11293 13655
Apollo Scientific	PC4386P

Database	Data ID
PubChem	10176739

M. W.

214.2452096

CAS

13765-26-9

Similarity

N/A

ID: 97346

methyl 5-({[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}methyl)furan-2-carboxylate

$$$$ Data

M. F.

C13H10F3NO3S

Suppliers	Catalog Number
Apollo Scientific	PC4387

Database	Data ID
PubChem	2775254

M. W.

317.2836096

CAS

Similarity

N/A

ID: 97347

gallium(3+) ion trifluoride

$$$$ Data

M. F.

F3Ga

Suppliers	Catalog Number
Alfa Aesar	32112 13987
Apollo Scientific	PC4387L

Database	Data ID
PubChem	10290802

M. W.

126.7182096

CAS

7783-51-9

Similarity

N/A

ID: 97348

tetrafluorogermane

$$$$ Data

M. F.

F4Ge

Suppliers	Catalog Number
Sigma Aldrich	463000 401501
Apollo Scientific	PC4388

Database	Data ID
PubChem	82215

M. W.

148.6336128

CAS

7783-58-6

Similarity

N/A

ID: 97349

tetrafluorohafnium

$$$$ Data

M. F.

F4Hf

Suppliers	Catalog Number
Sigma Aldrich	399868
Apollo Scientific	PC4389

Database	Data ID
PubChem	4092293

M. W.

254.4836128

CAS

13709-52-9

Similarity

N/A

ID: 97350

1,1,1,2,2,3,3-heptafluoro-6-iodo-4,4-bis(trifluoromethyl)hexane

$$$$ Data

M. F.

C8H4F13I

Suppliers	Catalog Number
Apollo Scientific	PC4389Y

Database	Data ID
PubChem	2774862

M. W.

474.0010716

CAS

115347-68-7

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