Chembase list of 866358 unique molecular structures

1,1,1,2,2,3,3,5,5,5-decafluoro-4-(trifluoromethyl)pentane

$$$$ Data

M. F.

C6HF13

Suppliers	Catalog Number
Apollo Scientific	PC7271

Database	Data ID
PubChem	10914179

M. W.

320.0513816

CAS

30320-28-6

Similarity

N/A

ID: 99552

1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-4-carbonitrile

$$$$ Data

M. F.

C12H7FN2O

Suppliers	Catalog Number
Apollo Scientific	PC7273
Bide Pharmatech	BD230342

Database	Data ID
PubChem	26986033

M. W.

214.1951832

CAS

929000-78-2

Similarity

N/A

ID: 99553

1-4-bromo-2-fluorophenoxy-N,N-dimethylmethanethioamide

$$$$ Data

M. F.

C9H9BrFNOS

Suppliers	Catalog Number
Apollo Scientific	PC7279

Database	Data ID
PubChem	26986036

M. W.

278.1412632

CAS

190648-99-8

Similarity

N/A

ID: 99554

2,3,6-trifluorobenzoic acid

$$$$ Data More

M. F.

C7H3F3O2

Suppliers	Catalog Number
Sigma Aldrich	325198
Alfa Aesar	B20666
Apollo Scientific	PC7281N

Database	Data ID
PubChem	520062

M. W.

176.0927296

CAS

2358-29-4

Similarity

N/A

ID: 99555

phenyl(2,3,4-trifluorophenyl)methanone

$$$$ Data

M. F.

C13H7F3O

Suppliers	Catalog Number
Apollo Scientific	PC7284E

Database	Data ID
PubChem	2777004

M. W.

236.1892896

CAS

Similarity

N/A

ID: 99556

phenyl(2,4,6-trifluorophenyl)methanone

$$$$ Data

M. F.

C13H7F3O

Suppliers	Catalog Number
Apollo Scientific	PC7284H

Database	Data ID
PubChem	2777009

M. W.

236.1892896

CAS

Similarity

N/A

ID: 99557

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-10-[(2-propylpentanoyl)oxy]decyl ...

$$$$ Data

M. F.

C26H34F16O4

Suppliers	Catalog Number
Apollo Scientific	PC7286

Database	Data ID
PubChem	44717642

M. W.

714.5202112

CAS

544446-07-3

Similarity

N/A

ID: 99558

oxolane; trifluoroborane

$$$$ Data

M. F.

C4H8BF3O

Suppliers	Catalog Number
Alfa Aesar	L17593
Apollo Scientific	PC7287

Database	Data ID
PubChem	71088

M. W.

139.9119296

CAS

462-34-0

Similarity

N/A

ID: 99559

4-bromo-1-fluoro-2-(trifluoromethoxy)benzene

$$$$ Data

M. F.

C7H3BrF4O

Suppliers	Catalog Number
Apollo Scientific	PC7291

Database	Data ID
PubChem	17750778

M. W.

258.9957328

CAS

886496-45-3

Similarity

N/A

ID: 99560

2-chloro-1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethane

$$$$ Data

M. F.

C4H3ClF6O

Suppliers	Catalog Number
Apollo Scientific	PC7292D

Database	Data ID
PubChem	2777088

M. W.

216.5094392

CAS

25364-98-1

Similarity

N/A

ID: 99561

4-fluoro-3-(trifluoromethoxy)benzonitrile

$$$$ Data

M. F.

C8H3F4NO

Suppliers	Catalog Number
Alfa Aesar	H26667
Apollo Scientific	PC7297

Database	Data ID
PubChem	17750701

M. W.

205.1091328

CAS

886501-14-0

Similarity

N/A

ID: 99562

1,1,1-trifluoroethane

$$$$ Data

M. F.

C2H3F3

Suppliers	Catalog Number
Apollo Scientific	PC7298

Database	Data ID
Wikipedia	1,1,1-Trifluoroethane
PubChem	9868

M. W.

84.0404296

CAS

420-46-2

Similarity

N/A

ID: 99563

1,1,2-trifluoroethane

$$$$ Data

M. F.

C2H3F3

Suppliers	Catalog Number
Apollo Scientific	PC7300

Database	Data ID
PubChem	9890

M. W.

84.0404296

CAS

430-66-0

Similarity

N/A

ID: 99564

3-methyl-1-(3-methyl-1H-imidazol-3-ium-1-carbonyl)-1H-imidazol-3-ium ditrifluoro...

$$$$ Data

M. F.

C11H12F6N4O7S2

Suppliers	Catalog Number
Apollo Scientific	PC7301
TRC	C177000

Database	Data ID
PubChem	2773461

M. W.

490.3559992

CAS

120418-31-7

Similarity

N/A

ID: 99565

5-fluoro-2-methoxypyrimidin-4-ol

$$$$ Data

M. F.

C5H5FN2O2

Suppliers	Catalog Number
Apollo Scientific	PC7302
TRC	F591775
Enamine	EN300-100777

Database	Data ID
PubChem	352550

M. W.

144.1038032

CAS

1480-96-2

Similarity

N/A

ID: 99566

(3S,4S,5R,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,4,5-triol

$$$$ Data

M. F.

C6H11FO5

Suppliers	Catalog Number
Apollo Scientific	PC7303

Database	Data ID
PubChem	13186794

M. W.

182.1469432

CAS

51146-53-3

Similarity

N/A

ID: 99567

2,2,2-trifluoroethane-1-sulfonyl chloride

$$$$ Data

M. F.

C2H2ClF3O2S

Suppliers	Catalog Number
Sigma Aldrich	324787 91691
Apollo Scientific	PC7304
Enamine	EN300-72772

Database	Data ID
PubChem	74242

M. W.

182.5492896

CAS

1648-99-3

Similarity

N/A

ID: 99568

(2S,3S,4S,5R)-6-fluoro-2,3,4,5-tetrahydroxyhexanal

$$$$ Data

M. F.

C6H11FO5

Suppliers	Catalog Number
Apollo Scientific	PC7305

Database	Data ID
PubChem	71299647

M. W.

182.1469432

CAS

447-25-6

Similarity

N/A

ID: 99569

(2S,3R,4R,5S)-2-fluoro-3,4,5,6-tetrahydroxyhexanal

$$$$ Data

M. F.

C6H11FO5

Suppliers	Catalog Number
Apollo Scientific	PC7306

Database	Data ID
PubChem	71299648

M. W.

182.1469432

CAS

29702-43-0

Similarity

N/A

ID: 99570

4-fluoro-6-(hydroxymethyl)oxane-2,3,5-triol

$$$$ Data

M. F.

C6H11FO5

Suppliers	Catalog Number
Apollo Scientific	PC7312 PC7307

Database	Data ID
PubChem	3832553

M. W.

182.1469432

CAS

Similarity

N/A

ID: 99571

(2R,3R,4S,5R)-4-fluoro-2,3,5,6-tetrahydroxyhexanal

$$$$ Data

M. F.

C6H11FO5

Suppliers	Catalog Number
Apollo Scientific	PC7308

Database	Data ID
PubChem	57368207

M. W.

182.1469432

CAS

29218-07-3

Similarity

N/A

ID: 99572

(3R,4S,5S,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,4,5-triol

$$$$ Data

M. F.

C6H11FO5

Suppliers	Catalog Number
Sigma Aldrich	375802
Apollo Scientific	PC7309

Database	Data ID
PubChem	2737302

M. W.

182.1469432

CAS

86783-82-6

Similarity

N/A

ID: 99573

5-fluoro-6-(hydroxymethyl)oxane-2,3,4-triol

$$$$ Data

M. F.

C6H11FO5

Suppliers	Catalog Number
Apollo Scientific	PC7313

Database	Data ID
PubChem	3719039

M. W.

182.1469432

CAS

87764-47-4

Similarity

N/A

ID: 99574

sodium undecafluorohexanoate

$$$$ Data

M. F.

C6F11NaO2

Suppliers	Catalog Number
Apollo Scientific	PC7314

Database	Data ID
PubChem	23678863

M. W.

336.0352052

CAS

Similarity

N/A

ID: 99575

5,5,5-trifluoropentanenitrile

$$$$ Data

M. F.

C5H6F3N

Suppliers	Catalog Number
Apollo Scientific	PC7318

Database	Data ID
PubChem	11819135

M. W.

137.1030496

CAS

89866-61-5

Similarity

N/A

ID: 99576

2,5-bis(trifluoromethyl)benzaldehyde

$$$$ Data More

M. F.

C9H4F6O

Suppliers	Catalog Number
Sigma Aldrich	463930
Alfa Aesar	H26207
Apollo Scientific	PC7319

Database	Data ID
PubChem	2737807

M. W.

242.1178792

CAS

395-64-2

Similarity

N/A

ID: 99577

2,5-bis(trifluoromethyl)benzonitrile

$$$$ Data

M. F.

C9H3F6N

Suppliers	Catalog Number
Alfa Aesar	H26591
Apollo Scientific	PC7321

Database	Data ID
PubChem	2737810

M. W.

239.1172392

CAS

51012-27-2

Similarity

N/A

ID: 99578

1-(4-fluoro-3-methoxyphenyl)ethan-1-one

$$$$ Data More

M. F.

C9H9FO2

Suppliers	Catalog Number
Alfa Aesar	L19894
Apollo Scientific	PC7322
Chemik	CHB73900

Database	Data ID
PubChem	2774532

M. W.

168.1649632

CAS

64287-19-0

Similarity

N/A

ID: 99579

2-fluoro-6-methoxybenzamide

$$$$ Data

M. F.

C8H8FNO2

Suppliers	Catalog Number
Alfa Aesar	H32774
Apollo Scientific	PC7323

Database	Data ID
PubChem	579738

M. W.

169.1530232

CAS

529512-81-0

Similarity

N/A

ID: 99580

5-fluoro-2-(trifluoromethyl)phenol

$$$$ Data

M. F.

C7H4F4O

Suppliers	Catalog Number
Alfa Aesar	H32445
Apollo Scientific	PC7325
A&J Pharmtech	AJA-O6844

Database	Data ID
PubChem	2774803

M. W.

180.0996728

CAS

243459-91-8

Similarity

N/A

ID: 99581

3-[2-fluoro-6-(trifluoromethyl)phenyl]prop-2-enoic acid

$$$$ Data

M. F.

C10H6F4O2

Suppliers	Catalog Number
Apollo Scientific	PC7335

Database	Data ID
PubChem	5708495

M. W.

234.1470528

CAS

Similarity

N/A

ID: 99582

4-chloro-8-fluoro-2-(trifluoromethyl)quinoline

$$$$ Data

M. F.

C10H4ClF4N

Suppliers	Catalog Number
Maybridge	KM09508
Apollo Scientific	PC7343

Database	Data ID
PubChem	2773779

M. W.

249.5920728

CAS

401567-85-9

Similarity

N/A

ID: 99583

2-(5-fluoro-2-methyl-1-{[4-(methylsulfanyl)phenyl]methylidene}-1H-inden-3-yl)ace...

$$$$ Data

M. F.

C20H17FO2S

Suppliers	Catalog Number
Apollo Scientific	PC7345

Database	Data ID
PubChem	6034911

M. W.

340.4111832

CAS

32004-67-4

Similarity

N/A

ID: 99584

1-(2,3,5-trifluorophenyl)ethan-1-one

$$$$ Data

M. F.

C8H5F3O

Suppliers	Catalog Number
Alfa Aesar	H26828
Apollo Scientific	PC7346
Chemik	CHB71511

Database	Data ID
PubChem	2776905

M. W.

174.1199096

CAS

243459-93-0

Similarity

N/A

ID: 99585

4,4,4-trifluorobutanamide

$$$$ Data

M. F.

C4H6F3NO

Suppliers	Catalog Number
Apollo Scientific	PC7347
Enamine	EN300-107461

Database	Data ID
PubChem	1272518

M. W.

141.0917496

CAS

461-34-7

Similarity

N/A

ID: 99586

2-iodo-1-nitro-4-(trifluoromethyl)benzene

$$$$ Data

M. F.

C7H3F3INO2

Suppliers	Catalog Number
Apollo Scientific	PC7351

Database	Data ID
PubChem	19261777

M. W.

317.0038996

CAS

16499-53-9

Similarity

N/A

ID: 99587

sodium 3,5-difluorobenzoate

$$$$ Data

M. F.

C7H3F2NaO2

Suppliers	Catalog Number
Apollo Scientific	PC7352
Chemik	CHB38721
Bide Pharmatech	BD33955

Database	Data ID
PubChem	2779346

M. W.

180.0840964

CAS

530141-39-0

Similarity

N/A

ID: 99588

pentafluorophenyl trifluoromethanesulfonate

$$$$ Data

M. F.

C7F8O3S

Suppliers	Catalog Number
Apollo Scientific	PC7353

Database	Data ID
PubChem	10041425

M. W.

316.1253256

CAS

60129-85-3

Similarity

N/A

ID: 99589

[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]boronic acid

$$$$ Data More

M. F.

C5H6BF3N2O2

Suppliers	Catalog Number
Sigma Aldrich	731730
Maybridge	MAY00027
Apollo Scientific	PC7354

Database	Data ID
PubChem	12056713

M. W.

193.9195496

CAS

344591-91-9

Similarity

N/A

ID: 99590

1,1,2-trifluoroethene

$$$$ Data

M. F.

C2HF3

Suppliers	Catalog Number
Sigma Aldrich	671231
Apollo Scientific	PC7360

Database	Data ID
PubChem	9665

M. W.

82.0245496

CAS

359-11-5

Similarity

N/A

ID: 99591

4-fluoro-3-(trifluoromethoxy)benzaldehyde

$$$$ Data

M. F.

C8H4F4O2

Suppliers	Catalog Number
Alfa Aesar	H26256
Apollo Scientific	PC7363

Database	Data ID
PubChem	17750776

M. W.

208.1097728

CAS

86256-48-6

Similarity

N/A

ID: 99592

N-(4-bromo-3-fluorophenyl)acetamide

$$$$ Data

M. F.

C8H7BrFNO

Suppliers	Catalog Number
Alfa Aesar	B25531
Apollo Scientific	PC7364

Database	Data ID
PubChem	2773316

M. W.

232.0496832

CAS

351-30-4

Similarity

N/A

ID: 99593

N-[(2-bromo-5-fluorophenyl)methylidene]hydroxylamine

$$$$ Data

M. F.

C7H5BrFNO

Suppliers	Catalog Number
Apollo Scientific	PC7365

Database	Data ID
PubChem	9582082

M. W.

218.0231032

CAS

202865-62-1

Similarity

N/A

ID: 99594

(2,2,2-trifluoroethyl)hydrazine

$$$$ Data

M. F.

C2H5F3N2

Suppliers	Catalog Number
Sigma Aldrich	129046
Apollo Scientific	PC7366

Database	Data ID
PubChem	78740

M. W.

114.0697096

CAS

5042-30-8

Similarity

N/A

ID: 99595

N-[(3-bromo-4-fluorophenyl)methylidene]hydroxylamine

$$$$ Data

M. F.

C7H5BrFNO

Suppliers	Catalog Number
Apollo Scientific	PC7367

Database	Data ID
PubChem	9582083

M. W.

218.0231032

CAS

202865-63-2

Similarity

N/A

ID: 99596

N-[(4-bromo-2-fluorophenyl)methylidene]hydroxylamine

$$$$ Data

M. F.

C7H5BrFNO

Suppliers	Catalog Number
Apollo Scientific	PC7368

Database	Data ID
PubChem	9582084

M. W.

218.0231032

CAS

202865-64-3

Similarity

N/A

ID: 99597

N-[(5-bromo-2-fluorophenyl)methylidene]hydroxylamine

$$$$ Data

M. F.

C7H5BrFNO

Suppliers	Catalog Number
Apollo Scientific	PC7369

Database	Data ID
PubChem	9582085

M. W.

218.0231032

CAS

202865-65-4

Similarity

N/A

ID: 99598

(2-bromo-4-fluorophenyl)methanol

$$$$ Data

M. F.

C7H6BrFO

Suppliers	Catalog Number
Apollo Scientific	PC7372
Enamine	EN300-52960
A&J Pharmtech	AJA-O40037

Database	Data ID
PubChem	2773347

M. W.

205.0243432

CAS

229027-89-8

Similarity

N/A

ID: 99599

2,2,2-trifluoroethyl 4-methylbenzene-1-sulfonate

$$$$ Data More

M. F.

C9H9F3O3S

Suppliers	Catalog Number
Sigma Aldrich	177822
Alfa Aesar	A17871
Apollo Scientific	PC7376

Database	Data ID
PubChem	67942

M. W.

254.2261696

CAS

433-06-7

Similarity

N/A

ID: 99600

(3-bromo-4-fluorophenyl)methanol

$$$$ Data

M. F.

C7H6BrFO

Suppliers	Catalog Number
Alfa Aesar	H30604
Apollo Scientific	PC7379
Bide Pharmatech	BD4510

Database	Data ID
PubChem	2773351

M. W.

205.0243432

CAS

77771-03-0

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