Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C12H10N2

Suppliers	Catalog Number
Matrix Scientific	018798
Life Chemicals	F1918-0083

Database	Data ID
PubChem	44621

M. W.

182.2212

CAS

6377-12-4

Similarity

N/A

ID: 16802

3-(4-methylbenzenesulfonyl)propanoic acid

$$$$ Data More

M. F.

C10H12O4S

Suppliers	Catalog Number
ChemBridge	5210656
Matrix Scientific	018799
Life Chemicals	F1900-0032

Database	Data ID
PubChem	780814

M. W.

228.26488

CAS

10154-76-4

Similarity

N/A

ID: 16803

1-[3-(2-chlorophenoxy)propyl]piperazine

$$$$ Data

M. F.

C13H19ClN2O

Suppliers	Catalog Number
Matrix Scientific	018800

Database	Data ID
PubChem	2056608

M. W.

254.75576

CAS

Similarity

N/A

ID: 16804

ethyl 2-(3-formyl-2-methyl-1H-indol-1-yl)acetate

$$$$ Data

M. F.

C14H15NO3

Suppliers	Catalog Number
ChemBridge	6899282
Matrix Scientific	018801

Database	Data ID
PubChem	799912

M. W.

245.2738

CAS

433307-59-6

Similarity

N/A

ID: 16805

1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde

$$$$ Data

M. F.

C14H15NO2

Suppliers	Catalog Number
ChemBridge	6750405
Matrix Scientific	018802
Enamine	EN300-04281

Database	Data ID
PubChem	1121197

M. W.

229.2744

CAS

124678-35-9

Similarity

N/A

ID: 16806

2-(pyrrolidin-1-yl)-5-(pyrrolidine-1-carbonyl)aniline

$$$$ Data

M. F.

C15H21N3O

Suppliers	Catalog Number
Matrix Scientific	018803

Database	Data ID
PubChem	2198504

M. W.

259.34674

CAS

Similarity

N/A

ID: 16807

N,N-diethyl-2-(3-formyl-1H-indol-1-yl)acetamide

$$$$ Data

M. F.

C15H18N2O2

Suppliers	Catalog Number
Matrix Scientific	018804

Database	Data ID
PubChem	820167

M. W.

258.31562

CAS

Similarity

N/A

ID: 16808

4-[2-(pyrrolidin-1-yl)ethyl]aniline

$$$$ Data More

M. F.

C12H18N2

Suppliers	Catalog Number
ChemBridge	4030680
Matrix Scientific	018805
Enamine	EN300-52460

Database	Data ID
PubChem	6487047

M. W.

190.28472

CAS

168897-20-9

Similarity

N/A

ID: 16809

4-[2-(azepan-1-yl)ethyl]aniline

$$$$ Data

M. F.

C14H22N2

Suppliers	Catalog Number
Matrix Scientific	018806

Database	Data ID
PubChem	3154444

M. W.

218.33788

CAS

Similarity

N/A

ID: 16810

2-{1-[(2-hydroxyethyl)amino]ethyl}phenol

$$$$ Data

M. F.

C10H15NO2

Suppliers	Catalog Number
Matrix Scientific	018807

Database	Data ID
PubChem	3154445

M. W.

181.2316

CAS

Similarity

N/A

ID: 16811

2-({bicyclo[2.2.1]hept-5-en-2-ylmethyl}amino)ethan-1-ol

$$$$ Data

M. F.

C10H17NO

Suppliers	Catalog Number
Matrix Scientific	018808

Database	Data ID
PubChem	3154449

M. W.

167.24808

CAS

Similarity

N/A

ID: 16812

4-[(2,5-dimethyl-1H-pyrrol-1-yl)methyl]benzoic acid

$$$$ Data

M. F.

C14H15NO2

Suppliers	Catalog Number
Matrix Scientific	018809
InterBioScreen	BB_SC-7952

Database	Data ID
PubChem	659752

M. W.

229.2744

CAS

Similarity

N/A

ID: 16813

4-(furan-2-yl)-2H,3H,3aH,4H,5H,9bH-furo[3,2-c]quinoline

$$$$ Data

M. F.

C15H15NO2

Suppliers	Catalog Number
Matrix Scientific	018810

Database	Data ID
PubChem	3154540

M. W.

241.2851

CAS

Similarity

N/A

ID: 16814

8-fluoro-4-(furan-2-yl)-2H,3H,3aH,4H,5H,9bH-furo[3,2-c]quinoline

$$$$ Data

M. F.

C15H14FNO2

Suppliers	Catalog Number
Matrix Scientific	018811

Database	Data ID
PubChem	3154541

M. W.

259.2755632

CAS

Similarity

N/A

ID: 16815

4-{8-methoxy-2H,3H,3aH,4H,5H,9bH-furo[3,2-c]quinolin-4-yl}pyridine

$$$$ Data

M. F.

C17H18N2O2

Suppliers	Catalog Number
Matrix Scientific	018812

Database	Data ID
PubChem	3154544

M. W.

282.33702

CAS

Similarity

N/A

ID: 16816

4-(3,4-dimethoxyphenyl)-3-ethyl-1H-pyrazol-5-amine

$$$$ Data

M. F.

C13H17N3O2

Suppliers	Catalog Number
Matrix Scientific	018813

Database	Data ID
PubChem	820348

M. W.

247.29298

CAS

Similarity

N/A

ID: 16817

4-(3,4-dimethoxyphenyl)-3-ethyl-1-methyl-1H-pyrazol-5-amine

$$$$ Data

M. F.

C14H19N3O2

Suppliers	Catalog Number
Matrix Scientific	018814

Database	Data ID
PubChem	6487062

M. W.

261.31956

CAS

Similarity

N/A

ID: 16818

2-amino-4-methyl-1,3-thiazole-5-carboxylic acid

$$$$ Data More

M. F.

C5H6N2O2S

Suppliers	Catalog Number
Sigma Aldrich	722375
ChemBridge	4141810
Matrix Scientific	018815

Database	Data ID
PubChem	832243

M. W.

158.17834

CAS

67899-00-7

Similarity

N/A

ID: 16819

5-(4-fluorophenyl)-2H,3H,4H,4aH,5H,6H,10bH-pyrano[3,2-c]quinoline

$$$$ Data

M. F.

C18H18FNO

Suppliers	Catalog Number
Matrix Scientific	018816

Database	Data ID
PubChem	3154690

M. W.

283.3400232

CAS

Similarity

N/A

ID: 16820

4-phenyl-2H,3H,3aH,4H,5H,9bH-furo[3,2-c]quinoline

$$$$ Data

M. F.

C17H17NO

Suppliers	Catalog Number
Matrix Scientific	018817
InterBioScreen	STOCK1N-35959

Database	Data ID
PubChem	2942312

M. W.

251.32298

CAS

Similarity

N/A

ID: 16821

5-methyl-2,1,3-benzothiadiazol-4-amine

$$$$ Data

M. F.

C7H7N3S

Suppliers	Catalog Number
ChemBridge	4030283
Matrix Scientific	018818

Database	Data ID
PubChem	960719

M. W.

165.21558

CAS

3338-93-0

Similarity

N/A

ID: 16822

5-(2-fluorophenyl)furan-2-carbaldehyde

$$$$ Data More

M. F.

C11H7FO2

Suppliers	Catalog Number
ChemBridge	4003567
Matrix Scientific	018819
InterBioScreen	BB_SC-0392

Database	Data ID
PubChem	960559

M. W.

190.1704832

CAS

380566-25-6

Similarity

N/A

ID: 16823

4-(5-amino-1,3,4-thiadiazol-2-yl)phenol

$$$$ Data

M. F.

C8H7N3OS

Suppliers	Catalog Number
Matrix Scientific	018820
InterBioScreen	BB_SC-0451

Database	Data ID
PubChem	5422623

M. W.

193.22568

CAS

Similarity

N/A

ID: 16824

2-(thiophene-2-sulfonamido)acetic acid

$$$$ Data

M. F.

C6H7NO4S2

Suppliers	Catalog Number
ChemBridge	9071012
Matrix Scientific	018822
Enamine	EN300-36291

Database	Data ID
PubChem	3155063

M. W.

221.25408

CAS

82068-09-5

Similarity

N/A

ID: 16825

1-[3-(3-methoxyphenoxy)propyl]piperazine

$$$$ Data

M. F.

C14H22N2O2

Suppliers	Catalog Number
Matrix Scientific	018823

Database	Data ID
PubChem	2056606

M. W.

250.33668

CAS

Similarity

N/A

ID: 16826

4-[(pyridin-4-ylmethyl)amino]benzoic acid

$$$$ Data

M. F.

C13H12N2O2

Suppliers	Catalog Number
ChemBridge	7935353
Matrix Scientific	018824

Database	Data ID
PubChem	935163

M. W.

228.24658

CAS

5966-20-1

Similarity

N/A

ID: 16827

(1-phenylethyl)(pyridin-4-ylmethyl)amine

$$$$ Data

M. F.

C14H16N2

Suppliers	Catalog Number
Matrix Scientific	018825
Enamine	EN300-11801

Database	Data ID
PubChem	2760380

M. W.

212.29024

CAS

Similarity

N/A

ID: 16828

3-[(pyridin-4-ylmethyl)amino]propan-1-ol

$$$$ Data

M. F.

C9H14N2O

Suppliers	Catalog Number
ChemBridge	9071313
Matrix Scientific	018826
Enamine	EN300-98483

Database	Data ID
PubChem	248486

M. W.

166.22026

CAS

7251-62-9

Similarity

N/A

ID: 16829

1-(2-chloroacetyl)imidazolidin-2-one

$$$$ Data

M. F.

C5H7ClN2O2

Suppliers	Catalog Number
Matrix Scientific	018827
InterBioScreen	BB_SC-4876
Enamine	EN300-11188

Database	Data ID
PubChem	1087836

M. W.

162.57428

CAS

Similarity

N/A

ID: 16830

1-(4-hydroxyphenyl)cyclopentane-1-carboxylic acid

$$$$ Data

M. F.

C12H14O3

Suppliers	Catalog Number
Matrix Scientific	018828
InterBioScreen	STOCK1N-26026

Database	Data ID
PubChem	595139

M. W.

206.23776

CAS

91496-64-9

Similarity

N/A

ID: 16831

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

$$$$ Data

M. F.

C8H6O4

Suppliers	Catalog Number
Matrix Scientific	018830
InterBioScreen	BB_SC-3367

Database	Data ID
PubChem	6487426

M. W.

166.13084

CAS

827-81-6

Similarity

N/A

ID: 16832

1-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde

$$$$ Data

M. F.

C14H15NO2

Suppliers	Catalog Number
Matrix Scientific	018831
Enamine	EN300-87013

Database	Data ID
PubChem	976860

M. W.

229.2744

CAS

Similarity

N/A

ID: 16833

[3-(furan-2-yl)-3-phenylpropyl](furan-2-ylmethyl)amine

$$$$ Data

M. F.

C18H19NO2

Suppliers	Catalog Number
Matrix Scientific	018833

Database	Data ID
PubChem	2929517

M. W.

281.34896

CAS

Similarity

N/A

ID: 16834

3-amino-3-(2H-1,3-benzodioxol-5-yl)propanoic acid

$$$$ Data More

M. F.

C10H11NO4

Suppliers	Catalog Number
Matrix Scientific	018834
Key Organics	7R-0606
InterBioScreen	BB_SC-6341 STOCK1N-34345

Database	Data ID
PubChem	2764288

M. W.

209.19864

CAS

129042-60-0

Similarity

N/A

ID: 16835

2-(2-phenylphenoxy)propanoic acid

$$$$ Data

M. F.

C15H14O3

Suppliers	Catalog Number
Matrix Scientific	018835
Life Chemicals	F1967-0256

Database	Data ID
PubChem	219343

M. W.

242.26986

CAS

Similarity

N/A

ID: 16836

7-ethyl-1-methyl-1H-indole-3-carbaldehyde

$$$$ Data

M. F.

C12H13NO

Suppliers	Catalog Number
Matrix Scientific	018836

Database	Data ID
PubChem	4530194

M. W.

187.23772

CAS

593237-10-6

Similarity

N/A

ID: 16837

3,5-dichloro-4-methoxy-N-(4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}phenyl)benzamide

$$$$ Data

M. F.

C20H13Cl2N3O3

Suppliers	Catalog Number
Matrix Scientific	018837

Database	Data ID
PubChem	1317937

M. W.

414.24152

CAS

Similarity

N/A

ID: 16838

4-(furan-2-yl)-8-methoxy-2H,3H,3aH,4H,5H,9bH-furo[3,2-c]quinoline

$$$$ Data

M. F.

C16H17NO3

Suppliers	Catalog Number
Matrix Scientific	018838
InterBioScreen	STOCK1N-35942

Database	Data ID
PubChem	2942910

M. W.

271.31108

CAS

Similarity

N/A

ID: 16839

4-(furan-2-yl)-8-methyl-2H,3H,3aH,4H,5H,9bH-furo[3,2-c]quinoline

$$$$ Data

M. F.

C16H17NO2

Suppliers	Catalog Number
Matrix Scientific	018839
InterBioScreen	STOCK1N-36029

Database	Data ID
PubChem	2943614

M. W.

255.31168

CAS

Similarity

N/A

ID: 16840

2-{[1-(3,4-dimethoxyphenyl)ethyl]amino}ethan-1-ol

$$$$ Data

M. F.

C12H19NO3

Suppliers	Catalog Number
Matrix Scientific	018840

Database	Data ID
PubChem	3155798

M. W.

225.28416

CAS

Similarity

N/A

ID: 16841

2-{[1-(2,5-dimethoxyphenyl)ethyl]amino}ethan-1-ol

$$$$ Data

M. F.

C12H19NO3

Suppliers	Catalog Number
Matrix Scientific	018841

Database	Data ID
PubChem	3155799

M. W.

225.28416

CAS

Similarity

N/A

ID: 16842

2-chloro-1-(6-fluoro-2-methyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

$$$$ Data

M. F.

C12H13ClFNO

Suppliers	Catalog Number
ChemBridge	7236294
Matrix Scientific	018842

Database	Data ID
PubChem	3155802

M. W.

241.6891232

CAS

544692-44-6

Similarity

N/A

ID: 16843

2-chloro-N-(1,2-dimethyl-1H-1,3-benzodiazol-5-yl)acetamide

$$$$ Data

M. F.

C11H12ClN3O

Suppliers	Catalog Number
Matrix Scientific	018843

Database	Data ID
PubChem	965366

M. W.

237.68548

CAS

Similarity

N/A

ID: 16844

1-benzyl-1H-1,3-benzodiazol-5-amine

$$$$ Data

M. F.

C14H13N3

Suppliers	Catalog Number
Matrix Scientific	018844
Key Organics	AD-0792
Apollo Scientific	OR43603

Database	Data ID
PubChem	1089058

M. W.

223.27312

CAS

26530-89-2

Similarity

N/A

ID: 16845

1-benzyl-2-methyl-1H-1,3-benzodiazol-5-amine

$$$$ Data

M. F.

C15H15N3

Suppliers	Catalog Number
Matrix Scientific	018845
Key Organics	AD-0799

Database	Data ID
PubChem	965302

M. W.

237.2997

CAS

14624-97-6

Similarity

N/A

ID: 16846

1-cyclohexyl-2-methyl-1H-1,3-benzodiazol-5-amine

$$$$ Data

M. F.

C14H19N3

Suppliers	Catalog Number
Matrix Scientific	018846

Database	Data ID
PubChem	1089059

M. W.

229.32076

CAS

Similarity

N/A

ID: 16847

N-(2-aminoethyl)furan-2-carboxamide hydrochloride

$$$$ Data

M. F.

C7H11ClN2O2

Suppliers	Catalog Number
Matrix Scientific	018847
Enamine	EN300-28769

Database	Data ID
PubChem	24213667

M. W.

190.62744

CAS

81253-55-6

Similarity

N/A

ID: 16848

N-[2-(piperazin-1-yl)ethyl]pyridine-2-carboxamide

$$$$ Data

M. F.

C12H18N4O

Suppliers	Catalog Number
Matrix Scientific	018848

Database	Data ID
PubChem	651308

M. W.

234.29752

CAS

Similarity

N/A

ID: 16849

N-{2-[(2-hydroxyethyl)amino]ethyl}pyridine-4-carboxamide

$$$$ Data

M. F.

C10H15N3O2

Suppliers	Catalog Number
Matrix Scientific	018849

Database	Data ID
PubChem	3155964

M. W.

209.245

CAS

Similarity

N/A

ID: 16850

1-(propan-2-yl)-1H-pyrrole-2-carbaldehyde

$$$$ Data

M. F.

C8H11NO

Suppliers	Catalog Number
ChemBridge	4030858
Matrix Scientific	018850

Database	Data ID
PubChem	3155970

M. W.

137.17904

CAS

23373-77-5

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