Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C4H9ClO2S

Suppliers	Catalog Number
Matrix Scientific	039945
Enamine	EN300-79119

Database	Data ID
PubChem	101406

M. W.

156.63106

CAS

25027-40-1

Similarity

N/A

ID: 37152

1-chloro-2-(ethylsulfanyl)ethane

$$$$ Data More

M. F.

C4H9ClS

Suppliers	Catalog Number
Sigma Aldrich	242640
Matrix Scientific	039946
Apollo Scientific	OR10841

Database	Data ID
PubChem	12733

M. W.

124.63226

CAS

693-07-2

Similarity

N/A

ID: 37153

[1,2]oxazolo[5,4-b]pyridin-3-amine

$$$$ Data More

M. F.

C6H5N3O

Suppliers	Catalog Number
Sigma Aldrich	CBR00108
ChemBridge	4031139
Matrix Scientific	039947

Database	Data ID
PubChem	2763697

M. W.

135.1234

CAS

92914-74-4

Similarity

N/A

ID: 37154

2-amino-6-(morpholin-4-yl)-3,4-dihydropyrimidin-4-one

$$$$ Data

M. F.

C8H12N4O2

Suppliers	Catalog Number
Matrix Scientific	039948

Database	Data ID
PubChem	1532135

M. W.

196.20648

CAS

Similarity

N/A

ID: 37155

2-amino-6-chloro-3,4-dihydropyrimidin-4-one

$$$$ Data

M. F.

C4H4ClN3O

Suppliers	Catalog Number
Matrix Scientific	039949
A&J Pharmtech	AJA-O1151

Database	Data ID
PubChem	70948

M. W.

145.54706

CAS

1194-21-4

Similarity

N/A

ID: 37156

tert-butyl N-(2-hydroxyethyl)carbamate

$$$$ Data More

M. F.

C7H15NO3

Suppliers	Catalog Number
Sigma Aldrich	382027 15355
Alfa Aesar	H32356
Matrix Scientific	039950

Database	Data ID
PubChem	2733206

M. W.

161.1989

CAS

26690-80-2

Similarity

N/A

ID: 37157

N-(2-hydroxyethyl)-4-methylbenzamide

$$$$ Data

M. F.

C10H13NO2

Suppliers	Catalog Number
Matrix Scientific	039951

Database	Data ID
PubChem	2725902

M. W.

179.21572

CAS

Similarity

N/A

ID: 37158

methyl 2-(4-{[(tert-butoxy)carbonyl]amino}piperidin-1-yl)acetate

$$$$ Data

M. F.

C13H24N2O4

Suppliers	Catalog Number
Matrix Scientific	039952

Database	Data ID
PubChem	21462653

M. W.

272.34066

CAS

Similarity

N/A

ID: 37159

oxan-4-one

$$$$ Data More

M. F.

C5H8O2

Suppliers	Catalog Number
Sigma Aldrich	198242 87475
Alfa Aesar	A19010
Matrix Scientific	039953

Database	Data ID
PubChem	121599

M. W.

100.11582

CAS

143562-54-3

Similarity

N/A

ID: 37160

3-hydroxycyclopent-2-en-1-one

$$$$ Data

M. F.

C5H6O2

Suppliers	Catalog Number
Matrix Scientific	039954

Database	Data ID
PubChem	138618

M. W.

98.09994

CAS

5870-62-2

Similarity

N/A

ID: 37161

5-(2-hydroxyethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

$$$$ Data

M. F.

C6H8N2O3

Suppliers	Catalog Number
Matrix Scientific	039955

Database	Data ID
PubChem	352846

M. W.

156.13932

CAS

23956-12-9

Similarity

N/A

ID: 37162

5-(2-aminoethyl)-6-hydroxy-1-methyl-1,2-dihydropyrimidin-2-one

$$$$ Data

M. F.

C7H11N3O2

Suppliers	Catalog Number
ChemBridge	4034784
Matrix Scientific	039956

Database	Data ID
PubChem	25220472

M. W.

169.18114

CAS

1142201-84-0

Similarity

N/A

ID: 37163

6-hydroxy-5-(2-hydroxyethyl)-1-methyl-1,2-dihydropyrimidin-2-one

$$$$ Data

M. F.

C7H10N2O3

Suppliers	Catalog Number
Matrix Scientific	039957

Database	Data ID
PubChem	25220473

M. W.

170.1659

CAS

Similarity

N/A

ID: 37164

5-(2-bromoethyl)-6-hydroxy-1-methyl-1,2-dihydropyrimidin-2-one

$$$$ Data

M. F.

C7H9BrN2O2

Suppliers	Catalog Number
Matrix Scientific	039958

Database	Data ID
PubChem	25220474

M. W.

233.06256

CAS

Similarity

N/A

ID: 37165

5-(2-aminoethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

$$$$ Data

M. F.

C6H9N3O2

Suppliers	Catalog Number
Matrix Scientific	039959
A&J Pharmtech	AJA-O24495

Database	Data ID
PubChem	15408027

M. W.

155.15456

CAS

221170-25-8

Similarity

N/A

ID: 37166

5-(2-bromoethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

$$$$ Data

M. F.

C6H7BrN2O2

Suppliers	Catalog Number
Matrix Scientific	039960

Database	Data ID
PubChem	25220475

M. W.

219.03598

CAS

53438-96-3

Similarity

N/A

ID: 37167

2,3-dimethoxyaniline

$$$$ Data

M. F.

C8H11NO2

Suppliers	Catalog Number
Matrix Scientific	039961

Database	Data ID
PubChem	239603

M. W.

153.17844

CAS

6299-67-8

Similarity

N/A

ID: 37168

methyl 4-hydroxy-1,1-dioxo-2H-1$l^{6},5,2-thieno[2,3-e][1$l^{6},2]thiazine-3-car...

$$$$ Data

M. F.

C8H7NO5S2

Suppliers	Catalog Number
Matrix Scientific	039962
InterBioScreen	BB_SC-4831

Database	Data ID
PubChem	54707628

M. W.

261.27488

CAS

98827-44-2

Similarity

N/A

ID: 37169

methyl 4-hydroxy-2-methyl-1,1-dioxo-2H-1λ⁶,5,2-thieno[2,3-e][1λ

$$$$ Data

M. F.

C9H9NO5S2

Suppliers	Catalog Number
Matrix Scientific	039963
InterBioScreen	BB_SC-4832

Database	Data ID
PubChem	54690599

M. W.

275.30146

CAS

868393-66-2

Similarity

N/A

ID: 37170

methyl 5-chloro-3-(methylsulfamoyl)thiophene-2-carboxylate

$$$$ Data

M. F.

C7H8ClNO4S2

Suppliers	Catalog Number
Matrix Scientific	039964
A&J Pharmtech	AJA-O670

Database	Data ID
PubChem	17609505

M. W.

269.72572

CAS

70374-37-7

Similarity

N/A

ID: 37171

methyl 2-(piperidin-4-yl)acetate

$$$$ Data

M. F.

C8H15NO2

Suppliers	Catalog Number
Matrix Scientific	039965
Enamine	EN300-52277
A&J Pharmtech	AJA-O15795

Database	Data ID
PubChem	1515259

M. W.

157.2102

CAS

168986-49-0

Similarity

N/A

ID: 37172

5-isothiocyanato-1,2,3-trimethoxybenzene

$$$$ Data

M. F.

C10H11NO3S

Suppliers	Catalog Number
Sigma Aldrich	511854
Alfa Aesar	L10709
Matrix Scientific	039966

Database	Data ID
PubChem	118900

M. W.

225.26424

CAS

35967-24-9

Similarity

N/A

ID: 37173

methyl prop-2-ynoate

$$$$ Data More

M. F.

C4H4O2

Suppliers	Catalog Number
Sigma Aldrich	171859 81863
MP Biomedicals	05215482
Alfa Aesar	A14743

Database	Data ID
PubChem	13536

M. W.

84.07336

CAS

922-67-8

Similarity

N/A

ID: 37174

sulfamoylamine

$$$$ Data More

M. F.

H4N2O2S

Suppliers	Catalog Number
Sigma Aldrich	211370 86033
MP Biomedicals	02156714 05218935
Alfa Aesar	A18680

Database	Data ID
Wikipedia	Sulfamide
PubChem	82267

M. W.

96.10896

CAS

7803-58-9

Similarity

N/A

ID: 37175

N-[(2-methoxyphenyl)amino]sulfamic acid

$$$$ Data

M. F.

C7H10N2O4S

Suppliers	Catalog Number
Matrix Scientific	039969

Database	Data ID
PubChem	14765010

M. W.

218.2303

CAS

Similarity

N/A

ID: 37176

2-chloro-N-(5-methylpyridin-2-yl)acetamide

$$$$ Data

M. F.

C8H9ClN2O

Suppliers	Catalog Number
Sigma Aldrich	CBR00101
ChemBridge	7248980
Matrix Scientific	039970

Database	Data ID
PubChem	5151119

M. W.

184.62286

CAS

143416-74-4

Similarity

N/A

ID: 37177

6-chloro-N,N-diethylpyridazin-3-amine

$$$$ Data

M. F.

C8H12ClN3

Suppliers	Catalog Number
Matrix Scientific	039971

Database	Data ID
PubChem	12237592

M. W.

185.65398

CAS

Similarity

N/A

ID: 37178

6-chloro-N-ethylpyridazin-3-amine

$$$$ Data

M. F.

C6H8ClN3

Suppliers	Catalog Number
Matrix Scientific	039972
Apollo Scientific	OR11900

Database	Data ID
PubChem	12446653

M. W.

157.60082

CAS

68588-39-6

Similarity

N/A

ID: 37179

6-chloro-N-propylpyridazin-3-amine

$$$$ Data

M. F.

C7H10ClN3

Suppliers	Catalog Number
Matrix Scientific	039973
Apollo Scientific	OR11901

Database	Data ID
PubChem	14517670

M. W.

171.6274

CAS

Similarity

N/A

ID: 37180

{5-methylimidazo[1,2-a]pyridin-2-yl}methanamine

$$$$ Data

M. F.

C9H11N3

Suppliers	Catalog Number
ChemBridge	4101531
Matrix Scientific	039974
Enamine	EN300-73637

Database	Data ID
PubChem	25220476

M. W.

161.20374

CAS

880361-80-8

Similarity

N/A

ID: 37181

3-bromo-4-ethoxy-5-methoxybenzonitrile

$$$$ Data

M. F.

C10H10BrNO2

Suppliers	Catalog Number
Alfa Aesar	H50612
Matrix Scientific	039975

Database	Data ID
PubChem	735527

M. W.

256.0959

CAS

495396-35-5

Similarity

N/A

ID: 37182

2-bromo-5-methoxy-4-(propan-2-yloxy)benzonitrile

$$$$ Data

M. F.

C11H12BrNO2

Suppliers	Catalog Number
Alfa Aesar	H50621
Matrix Scientific	039976

Database	Data ID
PubChem	5055283

M. W.

270.12248

CAS

515846-11-4

Similarity

N/A

ID: 37183

5-bromo-4-cyano-2-methoxyphenyl acetate

$$$$ Data

M. F.

C10H8BrNO3

Suppliers	Catalog Number
Matrix Scientific	039977

Database	Data ID
PubChem	4173681

M. W.

270.07942

CAS

Similarity

N/A

ID: 37184

2-bromo-4,5-diethoxybenzonitrile

$$$$ Data

M. F.

C11H12BrNO2

Suppliers	Catalog Number
Alfa Aesar	H50623
Matrix Scientific	039978

Database	Data ID
PubChem	1225464

M. W.

270.12248

CAS

445007-64-7

Similarity

N/A

ID: 37185

3-bromo-5-methoxy-4-propoxybenzonitrile

$$$$ Data

M. F.

C11H12BrNO2

Suppliers	Catalog Number
Alfa Aesar	H50613
Matrix Scientific	039979

Database	Data ID
PubChem	1580095

M. W.

270.12248

CAS

515848-04-1

Similarity

N/A

ID: 37186

2-bromo-4-ethoxy-5-methoxybenzonitrile

$$$$ Data

M. F.

C10H10BrNO2

Suppliers	Catalog Number
Alfa Aesar	H50619
Matrix Scientific	039980

Database	Data ID
PubChem	4570375

M. W.

256.0959

CAS

515846-45-4

Similarity

N/A

ID: 37187

3-bromo-4-hydroxy-5-methoxybenzonitrile

$$$$ Data More

M. F.

C8H6BrNO2

Suppliers	Catalog Number
Sigma Aldrich	701165
Alfa Aesar	H50606
Matrix Scientific	039981

Database	Data ID
PubChem	7021625

M. W.

228.04274

CAS

52805-45-5

Similarity

N/A

ID: 37188

(E)-N-{[2-bromo-5-ethoxy-4-(propan-2-yloxy)phenyl]methylidene}hydroxylamine

$$$$ Data

M. F.

C12H16BrNO3

Suppliers	Catalog Number
Matrix Scientific	039982

Database	Data ID
PubChem	9564745

M. W.

302.16434

CAS

Similarity

N/A

ID: 37189

2-bromo-5-ethoxy-4-methoxybenzonitrile

$$$$ Data

M. F.

C10H10BrNO2

Suppliers	Catalog Number
Alfa Aesar	H50622
Matrix Scientific	039983

Database	Data ID
PubChem	5147734

M. W.

256.0959

CAS

515847-20-8

Similarity

N/A

ID: 37190

5-bromo-2-ethoxybenzonitrile

$$$$ Data

M. F.

C9H8BrNO

Suppliers	Catalog Number
Alfa Aesar	H50624
Matrix Scientific	039984
Enamine	EN300-110906

Database	Data ID
PubChem	1228878

M. W.

226.06992

CAS

279263-03-5

Similarity

N/A

ID: 37191

5-bromo-2-(propan-2-yloxy)benzonitrile

$$$$ Data

M. F.

C10H10BrNO

Suppliers	Catalog Number
Alfa Aesar	H50627
Matrix Scientific	039985

Database	Data ID
PubChem	3262494

M. W.

240.0965

CAS

515832-52-7

Similarity

N/A

ID: 37192

5-bromo-2-methoxybenzonitrile

$$$$ Data More

M. F.

C8H6BrNO

Suppliers	Catalog Number
Sigma Aldrich	701173
Alfa Aesar	H50605
Matrix Scientific	039986

Database	Data ID
PubChem	4418560

M. W.

212.04334

CAS

144649-99-0

Similarity

N/A

ID: 37193

2-bromo-4-cyano-6-methoxyphenyl acetate

$$$$ Data

M. F.

C10H8BrNO3

Suppliers	Catalog Number
Alfa Aesar	H50614
Matrix Scientific	039987

Database	Data ID
PubChem	735528

M. W.

270.07942

CAS

515847-71-9

Similarity

N/A

ID: 37194

5-bromo-2-butoxybenzonitrile

$$$$ Data

M. F.

C11H12BrNO

Suppliers	Catalog Number
Alfa Aesar	H50626
Matrix Scientific	039988

Database	Data ID
PubChem	5090703

M. W.

254.12308

CAS

515845-97-3

Similarity

N/A

ID: 37195

3-bromo-5-methoxy-4-(propan-2-yloxy)benzonitrile

$$$$ Data

M. F.

C11H12BrNO2

Suppliers	Catalog Number
Alfa Aesar	H50615
Matrix Scientific	039989

Database	Data ID
PubChem	735529

M. W.

270.12248

CAS

515848-62-1

Similarity

N/A

ID: 37196

2-bromo-5-ethoxy-4-(propan-2-yloxy)benzonitrile

$$$$ Data

M. F.

C12H14BrNO2

Suppliers	Catalog Number
Matrix Scientific	039990

Database	Data ID
PubChem	3305527

M. W.

284.14906

CAS

Similarity

N/A

ID: 37197

2-bromo-5-methoxy-4-propoxybenzonitrile

$$$$ Data

M. F.

C11H12BrNO2

Suppliers	Catalog Number
Matrix Scientific	039991

Database	Data ID
PubChem	3564040

M. W.

270.12248

CAS

Similarity

N/A

ID: 37198

2-(benzyloxy)benzoic acid

$$$$ Data

M. F.

C14H12O3

Suppliers	Catalog Number
Sigma Aldrich	693995
Alfa Aesar	A12425
Matrix Scientific	039992

Database	Data ID
PubChem	1810581

M. W.

228.24328

CAS

14389-86-7

Similarity

N/A

ID: 37199

3-methoxy-4-propoxybenzoic acid

$$$$ Data

M. F.

C11H14O4

Suppliers	Catalog Number
Matrix Scientific	039993
Enamine	EN300-04044

Database	Data ID
PubChem	2339319

M. W.

210.22646

CAS

3535-32-8

Similarity

N/A

ID: 37200

3-methoxy-4-(propan-2-yloxy)benzoic acid

$$$$ Data

M. F.

C11H14O4

Suppliers	Catalog Number
ChemBridge	4402384
Matrix Scientific	039994
Enamine	EN300-04043

Database	Data ID
PubChem	2063915

M. W.

210.22646

CAS

3535-33-9

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