Chembase list of 866358 unique molecular structures

[2-(diphenylphosphanyl)ethyl]diphenylphosphane; bis(chlorogold)

$$$$ Data

M. F.

C26H24Au2Cl2P2

Suppliers	Catalog Number
Sigma Aldrich	717363

Database	Data ID
PubChem	12624729

M. W.

863.255382

CAS

18024-34-5

Similarity

N/A

ID: 142752

1-[(4-{2-[4-(2-phenylethynyl)phenyl]ethynyl}phenyl)sulfanyl]ethan-1-one

$$$$ Data

M. F.

C24H16OS

Suppliers	Catalog Number
Sigma Aldrich	718378

Database	Data ID
PubChem	59029892

M. W.

352.44824

CAS

356590-07-3

Similarity

N/A

ID: 142753

3,7,11-trithiatricyclo[6.3.0.0²,⁶]undeca-1(8),2(6),4,9-tet...

$$$$ Data

M. F.

C8H4S3

Suppliers	Catalog Number
Sigma Aldrich	710172
InterBioScreen	STOCK1N-01821

Database	Data ID
PubChem	137985

M. W.

196.31236

CAS

3593-75-7

Similarity

N/A

ID: 142754

1-({4-[2-(4-{2-[4-(acetylsulfanyl)phenyl]ethynyl}phenyl)ethynyl]phenyl}sulfanyl)...

$$$$ Data

M. F.

C26H18O2S2

Suppliers	Catalog Number
Sigma Aldrich	718351

Database	Data ID
PubChem	12163703

M. W.

426.54992

CAS

267007-83-0

Similarity

N/A

ID: 142755

1-ethyl-1-methylpyrrolidin-1-ium; hexafluoro-λ⁵-phosphanuide

$$$$ Data

M. F.

C7H16F6NP

Suppliers	Catalog Number
Sigma Aldrich	713198

Database	Data ID
PubChem	23082568

M. W.

259.1728202

CAS

121057-90-7

Similarity

N/A

ID: 142756

1-ethyl-1-methylpyrrolidin-1-ium bromide

$$$$ Data

M. F.

C7H16BrN

Suppliers	Catalog Number
Sigma Aldrich	713171
Bide Pharmatech	BD164203

Database	Data ID
PubChem	112264

M. W.

194.11264

CAS

69227-51-6

Similarity

N/A

ID: 142757

methyl 4-(2-acetamidoethyl)benzoate

$$$$ Data

M. F.

C12H15NO3

Suppliers	Catalog Number
Sigma Aldrich	656127

Database	Data ID
PubChem	16217974

M. W.

221.2524

CAS

870703-69-8

Similarity

N/A

ID: 142758

6-nitroquinoxaline-2,3-diol

$$$$ Data

M. F.

C8H5N3O4

Suppliers	Catalog Number
Sigma Aldrich	657239

Database	Data ID
PubChem	4038142

M. W.

207.143

CAS

2379-56-8

Similarity

N/A

ID: 142759

6-(propan-2-yl)-1H-indole

$$$$ Data

M. F.

C11H13N

Suppliers	Catalog Number
Sigma Aldrich	655341

Database	Data ID
PubChem	16217960

M. W.

159.22762

CAS

32996-24-0

Similarity

N/A

ID: 142760

2-[(E)-2-(3-methoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

$$$$ Data

M. F.

C15H21BO3

Suppliers	Catalog Number
Sigma Aldrich	656909

Database	Data ID
PubChem	16218022

M. W.

260.13644

CAS

871125-68-7

Similarity

N/A

ID: 142761

pentacosafluorotridecanoic acid

$$$$ Data

M. F.

C13HF25O2

Suppliers	Catalog Number
Sigma Aldrich	654973

Database	Data ID
PubChem	3018355

M. W.

664.10592

CAS

72629-94-8

Similarity

N/A

ID: 142762

1,4-bis(bromomethyl)-2,5-dioctylbenzene

$$$$ Data

M. F.

C24H40Br2

Suppliers	Catalog Number
Sigma Aldrich	653411

Database	Data ID
PubChem	18629888

M. W.

488.3824

CAS

870704-21-5

Similarity

N/A

ID: 142763

5-bromo-6-(bromomethyl)-2H-1,3-benzodioxole

$$$$ Data

M. F.

C8H6Br2O2

Suppliers	Catalog Number
Sigma Aldrich	653748

Database	Data ID
PubChem	95063

M. W.

293.94004

CAS

5434-47-9

Similarity

N/A

ID: 142764

3,7-bis(²H₃)methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

$$$$ Data

M. F.

C7H8N4O2

Suppliers	Catalog Number
Sigma Aldrich	705357
TRC	T343802

Database	Data ID
PubChem	53442231

M. W.

180.16402

CAS

117490-40-1

Similarity

N/A

ID: 142765

1-methyl-2,3,6,7,8,9-hexahydro(2,4,5,6-¹³C₄,1,3...

$$$$ Data

M. F.

C6H6N4O3

Suppliers	Catalog Number
Sigma Aldrich	705608

Database	Data ID
PubChem	53442241

M. W.

189.08768605

CAS

Similarity

N/A

ID: 142766

3-methyl-2,3,6,7,8,9-hexahydro(2,4,5,6-¹³C₄,1,3...

$$$$ Data

M. F.

C6H6N4O3

Suppliers	Catalog Number
Sigma Aldrich	705616

Database	Data ID
PubChem	53442242

M. W.

189.08768605

CAS

Similarity

N/A

ID: 142767

7-methyl-2,3,6,7,8,9-hexahydro(2,4,5,6-¹³C₄,1,3...

$$$$ Data

M. F.

C6H6N4O3

Suppliers	Catalog Number
Sigma Aldrich	705624

Database	Data ID
PubChem	53442243

M. W.

189.08768605

CAS

Similarity

N/A

ID: 142768

bis[3,5-bis(trifluoromethyl)phenyl][(2S)-1-[4-(pyrrolidin-1-yl)pyridine-3-carbon...

$$$$ Data

M. F.

C31H25F12N3O2

Suppliers	Catalog Number
Sigma Aldrich	713767

Database	Data ID
PubChem	23624432

M. W.

699.5299384

CAS

951008-65-4

Similarity

N/A

ID: 142769

2-(4,5-dihydro-1,3-oxazol-2-yl)quinoline

$$$$ Data

M. F.

C12H10N2O

Suppliers	Catalog Number
Sigma Aldrich	713910

Database	Data ID
PubChem	828047

M. W.

198.2206

CAS

202191-12-6

Similarity

N/A

ID: 142770

2-(4,5-dihydro-1,3-oxazol-2-yl)quinoline; dichloropalladium

$$$$ Data

M. F.

C12H10Cl2N2OPd

Suppliers	Catalog Number
Sigma Aldrich	713929

Database	Data ID
PubChem	42636449

M. W.

375.5466

CAS

1150097-98-5

Similarity

N/A

ID: 142771

(3-fluoro-2-formylphenyl)boronic acid

$$$$ Data

M. F.

C7H6BFO3

Suppliers	Catalog Number
Sigma Aldrich	709832
A&J Pharmtech	AJA-O18401

Database	Data ID
PubChem	53412038

M. W.

167.9301432

CAS

871126-15-7

Similarity

N/A

ID: 142772

di-tert-butyl[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]phosphane

$$$$ Data

M. F.

C18H29O2P

Suppliers	Catalog Number
Sigma Aldrich	706019

Database	Data ID
PubChem	71310783

M. W.

308.395421

CAS

1202864-99-0

Similarity

N/A

ID: 142773

ethyl 3-(4-bromo-2-fluorophenyl)-3-oxopropanoate

$$$$ Data

M. F.

C11H10BrFO3

Suppliers	Catalog Number
Sigma Aldrich	695769

Database	Data ID
PubChem	21265618

M. W.

289.0977032

CAS

Similarity

N/A

ID: 142774

1-(bromomethyl)-4-[4-(bromomethyl)phenyl]benzene

$$$$ Data

M. F.

C14H12Br2

Suppliers	Catalog Number
Sigma Aldrich	725919

Database	Data ID
PubChem	621238

M. W.

340.05308

CAS

20248-86-6

Similarity

N/A

ID: 142775

1,3-dibromo-5-(4-bromophenyl)benzene

$$$$ Data

M. F.

C12H7Br3

Suppliers	Catalog Number
Sigma Aldrich	716464

Database	Data ID
PubChem	155722

M. W.

390.89598

CAS

72416-87-6

Similarity

N/A

ID: 142776

(1S,2R,6R,8S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^...

$$$$ Data

M. F.

C12H18O6

Suppliers	Catalog Number
Sigma Aldrich	712167

Database	Data ID
PubChem	10879754

M. W.

258.26772

CAS

4933-77-1

Similarity

N/A

ID: 142777

1-tert-butyl 3-ethyl (3S)-piperidine-1,3-dicarboxylate

$$$$ Data

M. F.

C13H23NO4

Suppliers	Catalog Number
Sigma Aldrich	696404
Alfa Aesar	H58229
A&J Pharmtech	AJA-O24720

Database	Data ID
PubChem	1514445

M. W.

257.32602

CAS

191599-51-6

Similarity

N/A

ID: 142778

2,6-bis[(4S)-4-(2-phenylethyl)-4,5-dihydro-1,3-oxazol-2-yl]pyridine

$$$$ Data

M. F.

C27H27N3O2

Suppliers	Catalog Number
Sigma Aldrich	704059

Database	Data ID
PubChem	56958442

M. W.

425.52218

CAS

1012042-02-2

Similarity

N/A

ID: 142779

1,3,7-trimethyl-2,3,6,7,8,9-hexahydro(2,4,5,6-¹³C₄

$$$$ Data

M. F.

C8H10N4O3

Suppliers	Catalog Number
Sigma Aldrich	705667

Database	Data ID
PubChem	53442267

M. W.

217.14084605

CAS

Similarity

N/A

ID: 142780

tert-butyl N-(6-bromopyridin-2-yl)-N-[(tert-butoxy)carbonyl]carbamate

$$$$ Data

M. F.

C15H21BrN2O4

Suppliers	Catalog Number
Sigma Aldrich	655848

Database	Data ID
PubChem	16217971

M. W.

373.24224

CAS

870703-61-0

Similarity

N/A

ID: 142781

methyl 3-(4-methylpiperazin-1-yl)benzoate

$$$$ Data

M. F.

C13H18N2O2

Suppliers	Catalog Number
Sigma Aldrich	655570

Database	Data ID
PubChem	16217966

M. W.

234.29422

CAS

474334-89-9

Similarity

N/A

ID: 142782

1,3-dimethyl-2,3,6,7,8,9-hexahydro(2,4,5,6-¹³C₄...

$$$$ Data

M. F.

C7H8N4O3

Suppliers	Catalog Number
Sigma Aldrich	705632

Database	Data ID
PubChem	53442226

M. W.

203.11426605

CAS

Similarity

N/A

ID: 142783

1,7-dimethyl-2,3,6,7,8,9-hexahydro(2,4,5,6-¹³C₄...

$$$$ Data

M. F.

C7H8N4O3

Suppliers	Catalog Number
Sigma Aldrich	705640

Database	Data ID
PubChem	53442227

M. W.

203.11426605

CAS

Similarity

N/A

ID: 142784

4-amino-3-iodobenzonitrile

$$$$ Data

M. F.

C7H5IN2

Suppliers	Catalog Number
Sigma Aldrich	657123
Bide Pharmatech	BD158777
A&J Pharmtech	AJA-O2171

Database	Data ID
PubChem	4416395

M. W.

244.03247

CAS

33348-34-4

Similarity

N/A

ID: 142785

(1S,2R,3S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol

$$$$ Data

M. F.

C10H18O2

Suppliers	Catalog Number
Sigma Aldrich	658731

Database	Data ID
PubChem	21626088

M. W.

170.24872

CAS

56614-57-4

Similarity

N/A

ID: 142786

tert-butyl 5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine-7-carboxylate

$$$$ Data

M. F.

C11H11BrClN3O2

Suppliers	Catalog Number
Sigma Aldrich	715115
Alfa Aesar	H51676

Database	Data ID
PubChem	71306609

M. W.

332.58094

CAS

Similarity

N/A

ID: 142787

3-bromo-4-hydroxybenzoic acid

$$$$ Data

M. F.

C7H5BrO3

Suppliers	Catalog Number
Sigma Aldrich	699926
Alfa Aesar	B21338
Enamine	EN300-11807

Database	Data ID
PubChem	84368

M. W.

217.0168

CAS

14348-41-5

Similarity

N/A

ID: 142788

trimethyl({2-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl})silane

$$$$ Data

M. F.

C17H25BO2Si

Suppliers	Catalog Number
Sigma Aldrich	719064
Alfa Aesar	H58731

Database	Data ID
PubChem	17999151

M. W.

300.2757

CAS

915402-03-8

Similarity

N/A

ID: 142789

1-(3-amino-4-bromophenyl)ethan-1-one

$$$$ Data

M. F.

C8H8BrNO

Suppliers	Catalog Number
Sigma Aldrich	714437

Database	Data ID
PubChem	608294

M. W.

214.05922

CAS

37148-51-9

Similarity

N/A

ID: 142790

tert-butyl N-{2-[2-(2-aminoethoxy)ethoxy]ethyl}carbamate

$$$$ Data

M. F.

C11H24N2O4

Suppliers	Catalog Number
Sigma Aldrich	89761

Database	Data ID
PubChem	9881394

M. W.

248.31926

CAS

153086-78-3

Similarity

N/A

ID: 142791

(3R,7aS)-3-(trichloromethyl)-hexahydropyrrolo[1,2-c][1,3]oxazol-1-one

$$$$ Data

M. F.

C7H8Cl3NO2

Suppliers	Catalog Number
Sigma Aldrich	42134
Alfa Aesar	H27164

Database	Data ID
PubChem	10944680

M. W.

244.50292

CAS

97538-67-5

Similarity

N/A

ID: 142792

2-(2-bromophenyl)-1,3-bis(propan-2-yloxy)benzene

$$$$ Data

M. F.

C18H21BrO2

Suppliers	Catalog Number
Sigma Aldrich	660221

Database	Data ID
PubChem	16218107

M. W.

349.26214

CAS

870703-70-1

Similarity

N/A

ID: 142793

2-(4-bromophenyl)imidazo[1,2-a]pyridine

$$$$ Data

M. F.

C13H9BrN2

Suppliers	Catalog Number
Sigma Aldrich	658979
Alfa Aesar	H50590

Database	Data ID
PubChem	623416

M. W.

273.12796

CAS

34658-66-7

Similarity

N/A

ID: 142794

(1R,2R)-cyclohex-4-ene-1,2-dicarboxylic acid

$$$$ Data

M. F.

C8H10O4

Suppliers	Catalog Number
Sigma Aldrich	726109

Database	Data ID
PubChem	7045644

M. W.

170.1626

CAS

15573-40-7

Similarity

N/A

ID: 142795

1,2-diethyl (1R,2R)-cyclohex-4-ene-1,2-dicarboxylate

$$$$ Data

M. F.

C12H18O4

Suppliers	Catalog Number
Sigma Aldrich	726095

Database	Data ID
PubChem	12358152

M. W.

226.26892

CAS

5048-50-0

Similarity

N/A

ID: 142796

(1R,2R)-cyclohex-4-ene-1,2-diamine dihydrochloride

$$$$ Data

M. F.

C6H14Cl2N2

Suppliers	Catalog Number
Sigma Aldrich	726184

Database	Data ID
PubChem	13838833

M. W.

185.09476

CAS

108796-57-2

Similarity

N/A

ID: 142797

bis(4-methylphenyl)iodanium; hexafluoro-λ⁵-phosphanuide

$$$$ Data

M. F.

C14H14F6IP

Suppliers	Catalog Number
Sigma Aldrich	726192

Database	Data ID
PubChem	14008198

M. W.

454.1296102

CAS

60565-88-0

Similarity

N/A

ID: 142798

bis(4-tert-butylphenyl)iodanium; hexafluoro-λ⁵-phosphanuide

$$$$ Data

M. F.

C20H26F6IP

Suppliers	Catalog Number
Sigma Aldrich	726206

Database	Data ID
PubChem	13906852

M. W.

538.2890902

CAS

61358-25-6

Similarity

N/A

ID: 142799

tert-butyl N-[(2-methylphenyl)methylidene]carbamate

$$$$ Data

M. F.

C13H17NO2

Suppliers	Catalog Number
Sigma Aldrich	726222

Database	Data ID
PubChem	11514059

M. W.

219.27958

CAS

479423-37-5

Similarity

N/A

ID: 142800

1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydro-3H-1λ⁵,3-imidazol-1-ylium...

$$$$ Data

M. F.

C21H27ClN2

Suppliers	Catalog Number
Sigma Aldrich	656631

Database	Data ID
PubChem	2734917

M. W.

342.90548

CAS

173035-10-4

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