Chembase list of 866358 unique molecular structures

4-amino-2-methylpyrimidine-5-carbonitrile

$$$$ Data More

M. F.

C6H6N4

Suppliers	Catalog Number
Matrix Scientific	064187
Apollo Scientific	OR4236
TRC	A603517

Database	Data ID
PubChem	69682

M. W.

134.13864

CAS

698-29-3

Similarity

N/A

ID: 59002

4-(5-fluoro-1H-indol-3-yl)-1,3-thiazol-2-amine

$$$$ Data

M. F.

C11H8FN3S

Suppliers	Catalog Number
Matrix Scientific	064188

Database	Data ID
PubChem	1975198

M. W.

233.2647232

CAS

Similarity

N/A

ID: 59003

4-(2,5-dimethyl-1H-indol-3-yl)-1,3-thiazol-2-amine

$$$$ Data

M. F.

C13H13N3S

Suppliers	Catalog Number
Matrix Scientific	064189

Database	Data ID
PubChem	4777699

M. W.

243.32742

CAS

Similarity

N/A

ID: 59004

ethyl 3-formyl-5-methyl-1H-indole-2-carboxylate

$$$$ Data

M. F.

C13H13NO3

Suppliers	Catalog Number
Matrix Scientific	064190

Database	Data ID
PubChem	5024706

M. W.

231.24722

CAS

Similarity

N/A

ID: 59005

3-formyl-5,6-dimethoxy-1H-indole-2-carboxylic acid

$$$$ Data

M. F.

C12H11NO5

Suppliers	Catalog Number
Matrix Scientific	064191
InterBioScreen	BB_NC-2500 STOCK1N-45801

Database	Data ID
PubChem	908772

M. W.

249.21944

CAS

Similarity

N/A

ID: 59006

2-chloro-1-(5-fluoro-2-methyl-1H-indol-3-yl)ethan-1-one

$$$$ Data

M. F.

C11H9ClFNO

Suppliers	Catalog Number
Matrix Scientific	064192
InterBioScreen	BB_SC-4066

Database	Data ID
PubChem	935812

M. W.

225.6466632

CAS

Similarity

N/A

ID: 59007

2-chloro-1-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)ethan-1-one

$$$$ Data

M. F.

C13H14ClNO2

Suppliers	Catalog Number
Matrix Scientific	064193
InterBioScreen	BB_SC-0141

Database	Data ID
PubChem	947691

M. W.

251.70876

CAS

Similarity

N/A

ID: 59008

2-bromo-1-(2,6-dimethyl-1H-indol-3-yl)propan-1-one

$$$$ Data

M. F.

C13H14BrNO

Suppliers	Catalog Number
Matrix Scientific	064194

Database	Data ID
PubChem	2771963

M. W.

280.16036

CAS

Similarity

N/A

ID: 59009

3-methyl-1H-indole-2-carboxamide

$$$$ Data

M. F.

C10H10N2O

Suppliers	Catalog Number
Matrix Scientific	064195

Database	Data ID
PubChem	2752629

M. W.

174.1992

CAS

Similarity

N/A

ID: 59010

5-bromo-3-methyl-1H-indole-2-carbohydrazide

$$$$ Data

M. F.

C10H10BrN3O

Suppliers	Catalog Number
Matrix Scientific	064196
InterBioScreen	BB_SC-0599

Database	Data ID
PubChem	930125

M. W.

268.1099

CAS

Similarity

N/A

ID: 59011

(5-fluoro-1-methyl-1H-indol-2-yl)methanol

$$$$ Data

M. F.

C10H10FNO

Suppliers	Catalog Number
Matrix Scientific	064197

Database	Data ID
PubChem	51342125

M. W.

179.1909032

CAS

Similarity

N/A

ID: 59012

methyl 3-acetamido-5-fluoro-1H-indole-2-carboxylate

$$$$ Data

M. F.

C12H11FN2O3

Suppliers	Catalog Number
Matrix Scientific	064198

Database	Data ID
PubChem	930691

M. W.

250.2257432

CAS

Similarity

N/A

ID: 59013

2-(2-chloroacetyl)-4,5-dimethoxybenzonitrile

$$$$ Data

M. F.

C11H10ClNO3

Suppliers	Catalog Number
Matrix Scientific	064199

Database	Data ID
PubChem	51342126

M. W.

239.655

CAS

Similarity

N/A

ID: 59014

1-(1H-indol-3-yl)-2-(morpholin-4-yl)ethane-1,2-dione

$$$$ Data

M. F.

C14H14N2O3

Suppliers	Catalog Number
Matrix Scientific	064200

Database	Data ID
PubChem	1712511

M. W.

258.27256

CAS

Similarity

N/A

ID: 59015

1-(2,6-dimethyl-1H-indol-3-yl)ethan-1-one

$$$$ Data

M. F.

C12H13NO

Suppliers	Catalog Number
Matrix Scientific	064201

Database	Data ID
PubChem	51342127

M. W.

187.23772

CAS

Similarity

N/A

ID: 59016

1-(1,2-dimethyl-1H-indol-3-yl)ethan-1-one

$$$$ Data

M. F.

C12H13NO

Suppliers	Catalog Number
ChemBridge	4026499
Matrix Scientific	064202

Database	Data ID
PubChem	285755

M. W.

187.23772

CAS

33022-90-1

Similarity

N/A

ID: 59017

1H-indole-3-carbonitrile

$$$$ Data More

M. F.

C9H6N2

Suppliers	Catalog Number
Sigma Aldrich	347949
ChemBridge	3020059
Alfa Aesar	A16041

Database	Data ID
PubChem	230282

M. W.

142.15734

CAS

5457-28-3

Similarity

N/A

ID: 59018

5-bromo-3-methyl-1H-indole-2-carboxylic acid

$$$$ Data

M. F.

C10H8BrNO2

Suppliers	Catalog Number
Matrix Scientific	064204
InterBioScreen	BB_SC-0600

Database	Data ID
PubChem	930306

M. W.

254.08002

CAS

70070-32-5

Similarity

N/A

ID: 59019

4,6-dimethoxy-1H-indole

$$$$ Data

M. F.

C10H11NO2

Suppliers	Catalog Number
Sigma Aldrich	75065
Matrix Scientific	064205
A&J Pharmtech	AJA-O3677

Database	Data ID
PubChem	828760

M. W.

177.19984

CAS

23659-87-2

Similarity

N/A

ID: 59020

7-(trifluoromethyl)quinoline-4-thiol

$$$$ Data

M. F.

C10H6F3NS

Suppliers	Catalog Number
Sigma Aldrich	186686
Matrix Scientific	064206

Database	Data ID
PubChem	688041

M. W.

229.2215496

CAS

64415-07-2

Similarity

N/A

ID: 59021

tert-butyl 4-formyl-2-methoxyphenyl carbonate

$$$$ Data

M. F.

C13H16O5

Suppliers	Catalog Number
Sigma Aldrich	416657
Matrix Scientific	064207

Database	Data ID
PubChem	688239

M. W.

252.26314

CAS

145361-91-7

Similarity

N/A

ID: 59022

3-(2-bromoethyl)-1H-indole

$$$$ Data More

M. F.

C10H10BrN

Suppliers	Catalog Number
Sigma Aldrich	376523
Matrix Scientific	064208
Apollo Scientific	OR24580

Database	Data ID
PubChem	76924

M. W.

224.0971

CAS

3389-21-7

Similarity

N/A

ID: 59023

4-bromo-2-(1H-pyrazol-3-yl)phenol

$$$$ Data

M. F.

C9H7BrN2O

Suppliers	Catalog Number
Sigma Aldrich	546224
Alfa Aesar	H27653
Matrix Scientific	064209

Database	Data ID
PubChem	6093539

M. W.

239.06868

CAS

99067-15-9

Similarity

N/A

ID: 59024

1-methyl-1H-indole-2-carbaldehyde

$$$$ Data

M. F.

C10H9NO

Suppliers	Catalog Number
Sigma Aldrich	511129
Matrix Scientific	064210
InterBioScreen	BB_SC-1977

Database	Data ID
PubChem	267164

M. W.

159.18456

CAS

27421-51-8

Similarity

N/A

ID: 59025

3-nitrosopyridine-2,6-diamine

$$$$ Data

M. F.

C5H6N4O

Suppliers	Catalog Number
MP Biomedicals	05213927
Matrix Scientific	064211

Database	Data ID
PubChem	99676

M. W.

138.12734

CAS

89323-10-4

Similarity

N/A

ID: 59026

6-bromo-4-oxo-4H-chromene-3-carbaldehyde

$$$$ Data More

M. F.

C10H5BrO3

Suppliers	Catalog Number
Sigma Aldrich	402168
Alfa Aesar	H32053
Matrix Scientific	064212

Database	Data ID
PubChem	614309

M. W.

253.0489

CAS

52817-12-6

Similarity

N/A

ID: 59027

6-methyl-3,4-dihydro-2H-1-benzopyran-4-one

$$$$ Data

M. F.

C10H10O2

Suppliers	Catalog Number
Sigma Aldrich	156728
Matrix Scientific	064213

Database	Data ID
PubChem	584354

M. W.

162.1852

CAS

39513-75-2

Similarity

N/A

ID: 59028

(4-methoxy-3-nitrophenyl)methanol

$$$$ Data

M. F.

C8H9NO4

Suppliers	Catalog Number
Sigma Aldrich	523488
Matrix Scientific	064214
Life Chemicals	F2147-0707

Database	Data ID
PubChem	4432413

M. W.

183.16136

CAS

41870-24-0

Similarity

N/A

ID: 59029

[(2S)-1-(4-nitrophenyl)pyrrolidin-2-yl]methanol

$$$$ Data

M. F.

C11H14N2O3

Suppliers	Catalog Number
Sigma Aldrich	372048
Matrix Scientific	064215

Database	Data ID
PubChem	11447382

M. W.

222.24046

CAS

88422-19-9

Similarity

N/A

ID: 59030

[1,2,4]triazolo[1,5-a]pyrimidine

$$$$ Data

M. F.

C5H4N4

Suppliers	Catalog Number
Sigma Aldrich	324167
Matrix Scientific	064216

Database	Data ID
PubChem	636456

M. W.

120.11206

CAS

275-02-5

Similarity

N/A

ID: 59031

2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrole-3-carbaldehyde

$$$$ Data More

M. F.

C14H12F3NO

Suppliers	Catalog Number
Sigma Aldrich	417092
Matrix Scientific	064217
Apollo Scientific	PC31749

Database	Data ID
PubChem	622376

M. W.

267.2463896

CAS

207233-99-6

Similarity

N/A

ID: 59032

2-(2,4-dimethoxyphenyl)acetic acid

$$$$ Data More

M. F.

C10H12O4

Suppliers	Catalog Number
Sigma Aldrich	554197
Alfa Aesar	L13784
Matrix Scientific	064218

Database	Data ID
PubChem	350555

M. W.

196.19988

CAS

6496-89-5

Similarity

N/A

ID: 59033

(2E)-4-(4-methylphenyl)-4-oxobut-2-enoic acid

$$$$ Data More

M. F.

C11H10O3

Suppliers	Catalog Number
Sigma Aldrich	346012
Alfa Aesar	L10551
Matrix Scientific	064219

Database	Data ID
PubChem	691106

M. W.

190.1953

CAS

20972-36-5

Similarity

N/A

ID: 59034

4-iodo-5-methyl-3-(trifluoromethyl)-1H-pyrazole

$$$$ Data

M. F.

C5H4F3IN2

Suppliers	Catalog Number
ChemBridge	4042704
Matrix Scientific	064220

Database	Data ID
PubChem	51000275

M. W.

275.9983396

CAS

855343-07-6

Similarity

N/A

ID: 59035

2-(1,3-dimethyl-1H-pyrazol-4-yl)acetic acid

$$$$ Data

M. F.

C7H10N2O2

Suppliers	Catalog Number
Matrix Scientific	064221

Database	Data ID
PubChem	49879438

M. W.

154.1665

CAS

Similarity

N/A

ID: 59036

4-bromo-1-(difluoromethyl)-5-methyl-1H-pyrazole

$$$$ Data

M. F.

C5H5BrF2N2

Suppliers	Catalog Number
ChemBridge	4042906
Matrix Scientific	064222

Database	Data ID
PubChem	51000270

M. W.

211.0074064

CAS

1243250-04-5

Similarity

N/A

ID: 59037

3-(4-chlorophenoxymethyl)benzoic acid

$$$$ Data

M. F.

C14H11ClO3

Suppliers	Catalog Number
Matrix Scientific	064223
Enamine	EN300-83492

Database	Data ID
PubChem	584777

M. W.

262.68834

CAS

Similarity

N/A

ID: 59038

(Z)-N-[1-(1H-indol-3-yl)ethylidene]hydroxylamine

$$$$ Data

M. F.

C10H10N2O

Suppliers	Catalog Number
Matrix Scientific	064224

Database	Data ID
PubChem	6100698

M. W.

174.1992

CAS

Similarity

N/A

ID: 59039

2-(pyrrolidin-1-yl)pyridine-3-carbonitrile

$$$$ Data

M. F.

C10H11N3

Suppliers	Catalog Number
Matrix Scientific	064225
InterBioScreen	BB_SC-10293
Enamine	EN300-55216

Database	Data ID
PubChem	6502099

M. W.

173.21444

CAS

Similarity

N/A

ID: 59040

1-(4-methoxy-3-nitrophenyl)ethan-1-one

$$$$ Data More

M. F.

C9H9NO4

Suppliers	Catalog Number
Sigma Aldrich	553654
MP Biomedicals	05206529
Alfa Aesar	L04149

Database	Data ID
PubChem	80470

M. W.

195.17206

CAS

6277-38-9

Similarity

N/A

ID: 59041

4-phenyl-1,2-oxazol-5-amine

$$$$ Data

M. F.

C9H8N2O

Suppliers	Catalog Number
ChemBridge	4006071
Matrix Scientific	064227
Enamine	EN300-63887

Database	Data ID
PubChem	2748785

M. W.

160.17262

CAS

4320-83-6

Similarity

N/A

ID: 59042

4-(4-fluorophenyl)-1,2-oxazol-5-amine

$$$$ Data

M. F.

C9H7FN2O

Suppliers	Catalog Number
ChemBridge	4034643
Matrix Scientific	064228
Apollo Scientific	PC4232

Database	Data ID
PubChem	22424949

M. W.

178.1630832

CAS

914635-91-9

Similarity

N/A

ID: 59043

4-(3-chlorophenyl)-1H-pyrazol-5-amine

$$$$ Data

M. F.

C9H8ClN3

Suppliers	Catalog Number
ChemBridge	4034100
Matrix Scientific	064229
Enamine	EN300-56221

Database	Data ID
PubChem	10442605

M. W.

193.63292

CAS

95750-97-3

Similarity

N/A

ID: 59044

(2-methoxypyridin-3-yl)methanamine

$$$$ Data More

M. F.

C7H10N2O

Suppliers	Catalog Number
Matrix Scientific	064230
Enamine	EN300-31268
Bide Pharmatech	BD212235

Database	Data ID
PubChem	16793564

M. W.

138.1671

CAS

354824-19-4

Similarity

N/A

ID: 59045

3-hydrazinyl-6-(thiophen-2-yl)pyridazine

$$$$ Data

M. F.

C8H8N4S

Suppliers	Catalog Number
Matrix Scientific	064231

Database	Data ID
PubChem	3058916

M. W.

192.24092

CAS

Similarity

N/A

ID: 59046

4-phenyl-2-sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile

$$$$ Data

M. F.

C13H7F3N2S

Suppliers	Catalog Number
Matrix Scientific	064232

Database	Data ID
PubChem	4066435

M. W.

280.2682896

CAS

Similarity

N/A

ID: 59047

4-(4-fluorophenyl)-2-sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile

$$$$ Data

M. F.

C13H6F4N2S

Suppliers	Catalog Number
Matrix Scientific	064233

Database	Data ID
PubChem	842801

M. W.

298.2587528

CAS

Similarity

N/A

ID: 59048

4-(4-methoxyphenyl)-2-sulfanyl-6-(trifluoromethyl)pyridine-3-carbonitrile

$$$$ Data

M. F.

C14H9F3N2OS

Suppliers	Catalog Number
Matrix Scientific	064234

Database	Data ID
PubChem	5016392

M. W.

310.2942696

CAS

Similarity

N/A

ID: 59049

2-sulfanyl-4-(thiophen-2-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile

$$$$ Data

M. F.

C11H5F3N2S2

Suppliers	Catalog Number
Matrix Scientific	064235

Database	Data ID
PubChem	722131

M. W.

286.2960096

CAS

Similarity

N/A

ID: 59050

3-chloro-1-methyl-1H-pyrazole-4-carbohydrazide

$$$$ Data

M. F.

C5H7ClN4O

Suppliers	Catalog Number
Matrix Scientific	064236

Database	Data ID
PubChem	51342129

M. W.

174.58828

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