Chembase list of 866358 unique molecular structures

$$$$ Data More

M. F.

C7H6BrFO

Suppliers	Catalog Number
Sigma Aldrich	714615
Alfa Aesar	L18679
Apollo Scientific	PC7381

Database	Data ID
PubChem	2734027

M. W.

205.0243432

CAS

188582-62-9

Similarity

N/A

ID: 99602

(5-bromo-2-fluorophenyl)methanol

$$$$ Data

M. F.

C7H6BrFO

Suppliers	Catalog Number
Apollo Scientific	PC7382
Enamine	EN300-80464

Database	Data ID
PubChem	2773352

M. W.

205.0243432

CAS

99725-13-0

Similarity

N/A

ID: 99603

(2-bromo-4-fluorophenyl)methanamine hydrochloride

$$$$ Data

M. F.

C7H8BrClFN

Suppliers	Catalog Number
Apollo Scientific	PC7383

Database	Data ID
PubChem	2773353

M. W.

240.5005232

CAS

289038-14-8

Similarity

N/A

ID: 99604

(2-bromo-5-fluorophenyl)methanamine hydrochloride

$$$$ Data

M. F.

C7H8BrClFN

Suppliers	Catalog Number
Apollo Scientific	PC7384
Enamine	EN300-50163

Database	Data ID
PubChem	2773356

M. W.

240.5005232

CAS

202865-67-6

Similarity

N/A

ID: 99605

(3-bromo-4-fluorophenyl)methanamine hydrochloride

$$$$ Data

M. F.

C7H8BrClFN

Suppliers	Catalog Number
Alfa Aesar	A19280
Apollo Scientific	PC7387
Chemik	CHB58071

Database	Data ID
PubChem	2724901

M. W.

240.5005232

CAS

77771-03-0

Similarity

N/A

ID: 99606

2-[(2-bromo-4-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione

$$$$ Data

M. F.

C15H9BrFNO2

Suppliers	Catalog Number
Apollo Scientific	PC7388

Database	Data ID
PubChem	2773363

M. W.

334.1398632

CAS

Similarity

N/A

ID: 99607

2-[(4-bromo-2-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione

$$$$ Data

M. F.

C15H9BrFNO2

Suppliers	Catalog Number
Apollo Scientific	PC7389

Database	Data ID
PubChem	2773365

M. W.

334.1398632

CAS

Similarity

N/A

ID: 99608

2-[(5-bromo-2-fluorophenyl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione

$$$$ Data

M. F.

C15H9BrFNO2

Suppliers	Catalog Number
Apollo Scientific	PC7390

Database	Data ID
PubChem	2773366

M. W.

334.1398632

CAS

530141-44-7

Similarity

N/A

ID: 99609

3-(2-bromo-4-fluorophenyl)prop-2-enoic acid

$$$$ Data

M. F.

C9H6BrFO2

Suppliers	Catalog Number
Apollo Scientific	PC7391

Database	Data ID
PubChem	5708379

M. W.

245.0451432

CAS

289038-17-1

Similarity

N/A

ID: 99610

2-amino-5,5,5-trifluoro-4-methylpentanoic acid

$$$$ Data

M. F.

C6H10F3NO2

Suppliers	Catalog Number
Sigma Aldrich	91917
Alfa Aesar	L12890
Apollo Scientific	PC7392

Database	Data ID
PubChem	259832

M. W.

185.1443096

CAS

2792-72-5

Similarity

N/A

ID: 99611

2-bromo-1-fluoro-3,5-dimethylbenzene

$$$$ Data

M. F.

C8H8BrF

Suppliers	Catalog Number
Apollo Scientific	PC7396

Database	Data ID
PubChem	2773313

M. W.

203.0515232

CAS

289038-20-6

Similarity

N/A

ID: 99612

1-{1,1,2,2-tetrafluoro-2-[3-(trifluoromethyl)phenyl]ethyl}-3-(trifluoromethyl)be...

$$$$ Data

M. F.

C16H8F10

Suppliers	Catalog Number
Apollo Scientific	PC7397

Database	Data ID
PubChem	2773237

M. W.

390.218752

CAS

287172-67-2

Similarity

N/A

ID: 99613

1-bromo-5-fluoro-2-iodo-4-methylbenzene

$$$$ Data

M. F.

C7H5BrFI

Suppliers	Catalog Number
Apollo Scientific	PC7399

Database	Data ID
PubChem	2769412

M. W.

314.9214732

CAS

Similarity

N/A

ID: 99614

trifluoromethane

$$$$ Data

M. F.

CHF3

Suppliers	Catalog Number
Sigma Aldrich	295337
Apollo Scientific	PC7400

Database	Data ID
Wikipedia	Fluoroform
PubChem	6373

M. W.

70.0138496

CAS

75-46-7

Similarity

N/A

ID: 99615

5-bromo-2-fluoro-4-iodophenol

$$$$ Data

M. F.

C6H3BrFIO

Suppliers	Catalog Number
Apollo Scientific	PC7402

Database	Data ID
PubChem	2773374

M. W.

316.8942932

CAS

Similarity

N/A

ID: 99616

N-(2-bromo-5-fluoro-4-methylphenyl)acetamide

$$$$ Data

M. F.

C9H9BrFNO

Suppliers	Catalog Number
Apollo Scientific	PC7403

Database	Data ID
PubChem	2773376

M. W.

246.0762632

CAS

202865-76-7

Similarity

N/A

ID: 99617

2-bromo-4-fluoro-6-methylaniline

$$$$ Data

M. F.

C7H7BrFN

Suppliers	Catalog Number
Sigma Aldrich	669369
Apollo Scientific	PC7404
Bide Pharmatech	BD10489

Database	Data ID
PubChem	2773378

M. W.

204.0395832

CAS

202865-77-8

Similarity

N/A

ID: 99618

2-bromo-5-fluoro-4-methylaniline

$$$$ Data

M. F.

C7H7BrFN

Suppliers	Catalog Number
Apollo Scientific	PC7405

Database	Data ID
PubChem	2773379

M. W.

204.0395832

CAS

202865-78-9

Similarity

N/A

ID: 99619

2-bromo-4-fluoro-1-(propan-2-yloxy)benzene

$$$$ Data

M. F.

C9H10BrFO

Suppliers	Catalog Number
Apollo Scientific	PC7408

Database	Data ID
PubChem	2773388

M. W.

233.0775032

CAS

202865-79-0

Similarity

N/A

ID: 99620

4-bromo-2-fluoro-1-(propan-2-yloxy)benzene

$$$$ Data

M. F.

C9H10BrFO

Suppliers	Catalog Number
Apollo Scientific	PC7409

Database	Data ID
PubChem	2773389

M. W.

233.0775032

CAS

202865-80-3

Similarity

N/A

ID: 99621

trifluoromethanesulfonic acid

$$$$ Data More

M. F.

CHF3O3S

Suppliers	Catalog Number
Sigma Aldrich	T1394 347817 91738 (more...)
MP Biomedicals	02157025
Alfa Aesar	A10173

Database	Data ID
Wikipedia	Trifluoromethanesulfonic_acid
PubChem	62406

M. W.

150.0770496

CAS

1493-13-6

Similarity

N/A

ID: 99622

1-(3-bromo-4-fluorophenyl)propan-1-one

$$$$ Data

M. F.

C9H8BrFO

Suppliers	Catalog Number
Alfa Aesar	B25429
Apollo Scientific	PC7411

Database	Data ID
PubChem	2724905

M. W.

231.0616232

CAS

202865-82-5

Similarity

N/A

ID: 99623

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

$$$$ Data

M. F.

C7H3BrF3I

Suppliers	Catalog Number
Apollo Scientific	PC7413
Bide Pharmatech	BD102760

Database	Data ID
PubChem	2773397

M. W.

350.9023996

CAS

364-12-5

Similarity

N/A

ID: 99624

1-bromo-3,4,5-trifluoro-2-iodobenzene

$$$$ Data

M. F.

C6HBrF3I

Suppliers	Catalog Number
Apollo Scientific	PC7414

Database	Data ID
PubChem	2773398

M. W.

336.8758196

CAS

Similarity

N/A

ID: 99625

N-[4-bromo-2-(trifluoromethyl)phenyl]acetamide

$$$$ Data

M. F.

C9H7BrF3NO

Suppliers	Catalog Number
Apollo Scientific	PC7415

Database	Data ID
PubChem	2773417

M. W.

282.0571896

CAS

Similarity

N/A

ID: 99626

1-(4-butoxy-2-fluorophenyl)ethan-1-one

$$$$ Data

M. F.

C12H15FO2

Suppliers	Catalog Number
Apollo Scientific	PC7416

Database	Data ID
PubChem	2773433

M. W.

210.2447032

CAS

Similarity

N/A

ID: 99627

4-butoxy-2-fluorobenzoic acid

$$$$ Data

M. F.

C11H13FO3

Suppliers	Catalog Number
Apollo Scientific	PC7417

Database	Data ID
PubChem	2773434

M. W.

212.2175232

CAS

Similarity

N/A

ID: 99628

4-fluoro-3-(trifluoromethoxy)benzoic acid

$$$$ Data

M. F.

C8H4F4O3

Suppliers	Catalog Number
Alfa Aesar	H26368
Apollo Scientific	PC7418

Database	Data ID
PubChem	17750777

M. W.

224.1091728

CAS

886496-49-7

Similarity

N/A

ID: 99629

2-amino-3-bromo-5-(trifluoromethoxy)benzoic acid

$$$$ Data

M. F.

C8H5BrF3NO3

Suppliers	Catalog Number
Apollo Scientific	PC7419

Database	Data ID
PubChem	26986030

M. W.

300.0294096

CAS

Similarity

N/A

ID: 99630

trifluoromethanesulfonyl trifluoromethanesulfonate

$$$$ Data More

M. F.

C2F6O5S2

Suppliers	Catalog Number
Sigma Aldrich	704083 176176 91737
Alfa Aesar	A11767
Apollo Scientific	PC7420

Database	Data ID
PubChem	67749

M. W.

282.1388192

CAS

358-23-6

Similarity

N/A

ID: 99631

2-chloro-1,3-difluoro-4-iodobenzene

$$$$ Data

M. F.

C6H2ClF2I

Suppliers	Catalog Number
Apollo Scientific	PC7421

Database	Data ID
PubChem	2773560

M. W.

274.4343564

CAS

Similarity

N/A

ID: 99632

1,3-dichloro-7-fluoroisoquinoline

$$$$ Data

M. F.

C9H4Cl2FN

Suppliers	Catalog Number
Apollo Scientific	PC7422
Bide Pharmatech	BD229303

Database	Data ID
PubChem	26986037

M. W.

216.0391632

CAS

941294-25-3

Similarity

N/A

ID: 99633

4-chloro-2-fluoro-1-methoxybenzene

$$$$ Data

M. F.

C7H6ClFO

Suppliers	Catalog Number
Sigma Aldrich	457361
Apollo Scientific	PC7423

Database	Data ID
PubChem	223101

M. W.

160.5733432

CAS

452-09-5

Similarity

N/A

ID: 99634

[2-methyl-4-(trifluoromethyl)phenyl]boronic acid

$$$$ Data

M. F.

C8H8BF3O2

Suppliers	Catalog Number
Apollo Scientific	PC7424
A&J Pharmtech	AJA-O7432 AJA-O23488

Database	Data ID
PubChem	44558152

M. W.

203.9541296

CAS

957034-45-6

Similarity

N/A

ID: 99635

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

$$$$ Data

M. F.

C7H5ClFNO

Suppliers	Catalog Number
Apollo Scientific	PC7425

Database	Data ID
PubChem	9582086

M. W.

173.5721032

CAS

Similarity

N/A

ID: 99636

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

$$$$ Data

M. F.

C7H5ClFNO

Suppliers	Catalog Number
Apollo Scientific	PC7426

Database	Data ID
PubChem	9582087

M. W.

173.5721032

CAS

Similarity

N/A

ID: 99637

2-(4-fluorobenzenesulfonyl)-2-(pyridin-3-yl)ethan-1-amine

$$$$ Data

M. F.

C13H13FN2O2S

Suppliers	Catalog Number
Apollo Scientific	PC7429

Database	Data ID
PubChem	16642165

M. W.

280.3179232

CAS

Similarity

N/A

ID: 99638

2-(4-fluoro-3-methylbenzenesulfonyl)-2-(pyridin-3-yl)ethan-1-amine

$$$$ Data

M. F.

C14H15FN2O2S

Suppliers	Catalog Number
Apollo Scientific	PC7432

Database	Data ID
PubChem	16642500

M. W.

294.3445032

CAS

Similarity

N/A

ID: 99639

2-(trifluoromethoxy)benzohydrazide

$$$$ Data

M. F.

C8H7F3N2O2

Suppliers	Catalog Number
Apollo Scientific	PC7436U

Database	Data ID
PubChem	2777228

M. W.

220.1485896

CAS

175277-19-7

Similarity

N/A

ID: 99640

[4-(trifluoromethoxy)phenyl]methanethiol

$$$$ Data

M. F.

C8H7F3OS

Suppliers	Catalog Number
Apollo Scientific	PC7438UL

Database	Data ID
PubChem	2777262

M. W.

208.2007896

CAS

175278-03-2

Similarity

N/A

ID: 99641

2-[4-(trifluoromethoxy)phenoxy]acetic acid

$$$$ Data More

M. F.

C9H7F3O4

Suppliers	Catalog Number
Alfa Aesar	H50218
Maybridge	RDR03369
Apollo Scientific	PC7439P

Database	Data ID
PubChem	697705

M. W.

236.1446896

CAS

72220-50-9

Similarity

N/A

ID: 99642

2-[4-(trifluoromethoxy)phenoxy]acetohydrazide

$$$$ Data

M. F.

C9H9F3N2O3

Suppliers	Catalog Number
Maybridge	RDR03498
Apollo Scientific	PC7439PC

Database	Data ID
PubChem	2777305

M. W.

250.1745696

CAS

175204-36-1

Similarity

N/A

ID: 99643

1-isocyanato-2-(trifluoromethoxy)benzene

$$$$ Data

M. F.

C8H4F3NO2

Suppliers	Catalog Number
Sigma Aldrich	348376
Apollo Scientific	PC7439PW

Database	Data ID
PubChem	608953

M. W.

203.1180696

CAS

182500-26-1

Similarity

N/A

ID: 99644

1-isothiocyanato-4-(trifluoromethoxy)benzene

$$$$ Data

M. F.

C8H4F3NOS

Suppliers	Catalog Number
Sigma Aldrich	525359
Maybridge	TL00411
Apollo Scientific	PC7439T

Database	Data ID
PubChem	2777338

M. W.

219.1836696

CAS

64285-95-6

Similarity

N/A

ID: 99645

[4-(trifluoromethoxy)phenyl]thiourea

$$$$ Data

M. F.

C8H7F3N2OS

Suppliers	Catalog Number
Apollo Scientific	PC7439TF
Enamine	EN300-28854

Database	Data ID
PubChem	2777352

M. W.

236.2141896

CAS

142229-74-1

Similarity

N/A

ID: 99646

2-(trifluoromethoxy)benzene-1,4-dicarboxylic acid

$$$$ Data More

M. F.

C9H5F3O5

Suppliers	Catalog Number
Maybridge	TL00678
Apollo Scientific	PC7439TK
Bide Pharmatech	BD63653

Database	Data ID
PubChem	2777354

M. W.

250.1282096

CAS

175278-21-4

Similarity

N/A

ID: 99647

4-(trifluoromethoxy)benzene-1-carbothioamide

$$$$ Data

M. F.

C8H6F3NOS

Suppliers	Catalog Number
Alfa Aesar	H58585
Apollo Scientific	PC7439U

Database	Data ID
PubChem	2779333

M. W.

221.1995496

CAS

149169-34-6

Similarity

N/A

ID: 99648

6-bromo-3-(trifluoroacetyl)-2H-chromen-2-one

$$$$ Data

M. F.

C11H4BrF3O3

Suppliers	Catalog Number
Apollo Scientific	PC7440

Database	Data ID
PubChem	2778693

M. W.

321.0468696

CAS

Similarity

N/A

ID: 99649

6-fluoro-2-methyl-1H-indole

$$$$ Data

M. F.

C9H8FN

Suppliers	Catalog Number
Apollo Scientific	PC7443
Chemik	CHH14023
Bide Pharmatech	BD228434

Database	Data ID
PubChem	9942185

M. W.

149.1649232

CAS

40311-13-5

Similarity

N/A

ID: 99650

2-bromo-4-(dihydroxyboranyl)-5-fluorobenzoic acid

$$$$ Data

M. F.

C7H5BBrFO4

Suppliers	Catalog Number
Apollo Scientific	PC7452

Database	Data ID
PubChem	44717679

M. W.

262.8256032

CAS

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