Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C12H17N

Suppliers	Catalog Number
Apollo Scientific	OR59328

Database	Data ID
PubChem	26966997

M. W.

175.27008

CAS

957065-89-3

Similarity

N/A

ID: 90102

ethyl 7-chloro-4-hydroxy-8-methylquinoline-3-carboxylate

$$$$ Data

M. F.

C13H12ClNO3

Suppliers	Catalog Number
Apollo Scientific	OR59329
A&J Pharmtech	AJA-O39267

Database	Data ID
PubChem	219161

M. W.

265.69228

CAS

5350-94-7

Similarity

N/A

ID: 90103

1-(2,3-dichlorophenyl)pyrrolidine

$$$$ Data

M. F.

C10H11Cl2N

Suppliers	Catalog Number
Apollo Scientific	OR59330

Database	Data ID
PubChem	17866730

M. W.

216.10704

CAS

957065-92-8

Similarity

N/A

ID: 90104

2-(3-bromophenyl)-5-butyl-1,3,4-oxadiazole

$$$$ Data

M. F.

C12H13BrN2O

Suppliers	Catalog Number
Apollo Scientific	OR59331

Database	Data ID
PubChem	26966999

M. W.

281.14842

CAS

957065-94-0

Similarity

N/A

ID: 90105

2-(3-bromophenyl)-5-ethyl-1,3,4-oxadiazole

$$$$ Data

M. F.

C10H9BrN2O

Suppliers	Catalog Number
Apollo Scientific	OR59334

Database	Data ID
PubChem	26967004

M. W.

253.09526

CAS

957065-88-2

Similarity

N/A

ID: 90106

5-bromo-4-chloro-2-methoxybenzoic acid

$$$$ Data

M. F.

C8H6BrClO3

Suppliers	Catalog Number
Apollo Scientific	OR59335

Database	Data ID
PubChem	20254938

M. W.

265.48844

CAS

95383-17-8

Similarity

N/A

ID: 90107

ethyl 5-chloro-8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate

$$$$ Data

M. F.

C13H12ClNO3

Suppliers	Catalog Number
Apollo Scientific	OR59338

Database	Data ID
PubChem	612975

M. W.

265.69228

CAS

Similarity

N/A

ID: 90108

ethyl 6-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate

$$$$ Data

M. F.

C13H13NO4

Suppliers	Catalog Number
Apollo Scientific	OR59341

Database	Data ID
PubChem	228284

M. W.

247.24662

CAS

77156-78-6

Similarity

N/A

ID: 90109

ethyl 8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate

$$$$ Data

M. F.

C13H13NO4

Suppliers	Catalog Number
Apollo Scientific	OR59342
Life Chemicals	F0914-1307
Bide Pharmatech	BD235090

Database	Data ID
PubChem	304556

M. W.

247.24662

CAS

71082-34-3

Similarity

N/A

ID: 90110

tert-butyl 2-bromo-5-methoxybenzoate

$$$$ Data

M. F.

C12H15BrO3

Suppliers	Catalog Number
Apollo Scientific	OR59343

Database	Data ID
PubChem	26967014

M. W.

287.1497

CAS

957063-12-6

Similarity

N/A

ID: 90111

1,3-thiazole-4-carboxamide

$$$$ Data

M. F.

C4H4N2OS

Suppliers	Catalog Number
Apollo Scientific	OR59344
A&J Pharmtech	AJA-O39947

Database	Data ID
PubChem	445276

M. W.

128.15236

CAS

3575-09-5

Similarity

N/A

ID: 90112

[4-(2-aminophenoxy)phenyl]boronic acid hydrochloride

$$$$ Data

M. F.

C12H13BClNO3

Suppliers	Catalog Number
Apollo Scientific	OR59345
Bide Pharmatech	BD229436

Database	Data ID
PubChem	44119584

M. W.

265.50052

CAS

957063-10-4

Similarity

N/A

ID: 90113

tert-butyl 7-methyl-1H-indole-1-carboxylate

$$$$ Data

M. F.

C14H17NO2

Suppliers	Catalog Number
Apollo Scientific	OR59346

Database	Data ID
PubChem	21874578

M. W.

231.29028

CAS

442910-62-5

Similarity

N/A

ID: 90114

N-[4-chloro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide

$$$$ Data

M. F.

C14H19BClNO3

Suppliers	Catalog Number
Apollo Scientific	OR59347
Bide Pharmatech	BD229138

Database	Data ID
PubChem	44119586

M. W.

295.56956

CAS

957063-08-0

Similarity

N/A

ID: 90115

4-bromo-1-(2-chlorophenyl)-1H-pyrazole

$$$$ Data

M. F.

C9H6BrClN2

Suppliers	Catalog Number
Apollo Scientific	OR59348

Database	Data ID
PubChem	26967016

M. W.

257.51434

CAS

957063-04-6

Similarity

N/A

ID: 90116

4-(5-bromopyridine-2-carbonyl)morpholine

$$$$ Data

M. F.

C10H11BrN2O2

Suppliers	Catalog Number
Apollo Scientific	OR59349

Database	Data ID
PubChem	26967019

M. W.

271.11054

CAS

957063-06-8

Similarity

N/A

ID: 90117

4-bromo-N-[(4-methoxyphenyl)methyl]benzene-1-sulfonamide

$$$$ Data

M. F.

C14H14BrNO3S

Suppliers	Catalog Number
Apollo Scientific	OR59350
Bide Pharmatech	BD230529

Database	Data ID
PubChem	986643

M. W.

356.23486

CAS

329939-43-7

Similarity

N/A

ID: 90118

methyl 4-chloro-2-hydroxybenzoate

$$$$ Data

M. F.

C8H7ClO3

Suppliers	Catalog Number
Apollo Scientific	OR59351
Enamine	EN300-29834

Database	Data ID
PubChem	327085

M. W.

186.59238

CAS

22717-55-1

Similarity

N/A

ID: 90119

N-tert-butylbenzenesulfonamide

$$$$ Data

M. F.

C10H15NO2S

Suppliers	Catalog Number
Apollo Scientific	OR59352

Database	Data ID
PubChem	314059

M. W.

213.2966

CAS

2512-24-5

Similarity

N/A

ID: 90120

[4-(2-methoxy-2-oxoethoxy)phenyl]boronic acid

$$$$ Data

M. F.

C9H11BO5

Suppliers	Catalog Number
Apollo Scientific	OR59353

Database	Data ID
PubChem	44119587

M. W.

209.99164

CAS

957063-00-2

Similarity

N/A

ID: 90121

1-(4-methylbenzenesulfonyl)-1H-imidazole-4-carboxylic acid

$$$$ Data

M. F.

C11H10N2O4S

Suppliers	Catalog Number
Apollo Scientific	OR59354
Bide Pharmatech	BD230818

Database	Data ID
PubChem	26967023

M. W.

266.2731

CAS

957063-02-4

Similarity

N/A

ID: 90122

N-(3,5-dibromophenyl)acetamide

$$$$ Data

M. F.

C8H7Br2NO

Suppliers	Catalog Number
Apollo Scientific	OR59355

Database	Data ID
PubChem	14452549

M. W.

292.95528

CAS

119430-40-9

Similarity

N/A

ID: 90123

N-benzyl-4-bromo-2-nitroaniline

$$$$ Data

M. F.

C13H11BrN2O2

Suppliers	Catalog Number
Apollo Scientific	OR59357

Database	Data ID
PubChem	24902949

M. W.

307.14264

CAS

957062-86-1

Similarity

N/A

ID: 90124

{4-[(4-methylphenyl)sulfamoyl]phenyl}boronic acid

$$$$ Data

M. F.

C13H14BNO4S

Suppliers	Catalog Number
Alfa Aesar	H54524
Apollo Scientific	OR59358

Database	Data ID
PubChem	44119588

M. W.

291.13056

CAS

957062-88-3

Similarity

N/A

ID: 90125

(1S,6S)-11,11-dimethyl-5-oxa-3$l^{6}-thia-4-azatetracyclo[6.2.1.0^{1,6}.0^{4,6}]...

$$$$ Data

M. F.

C10H15NO3S

Suppliers	Catalog Number
Apollo Scientific	OR5936

Database	Data ID
PubChem	13619565

M. W.

229.296

CAS

Similarity

N/A

ID: 90126

(4-methoxy-2-nitrophenyl)boronic acid

$$$$ Data

M. F.

C7H8BNO5

Suppliers	Catalog Number
Apollo Scientific	OR59360

Database	Data ID
PubChem	44119590

M. W.

196.95312

CAS

860034-09-9

Similarity

N/A

ID: 90127

2-chloro-4-(4-methoxyphenyl)pyrimidine

$$$$ Data

M. F.

C11H9ClN2O

Suppliers	Catalog Number
Apollo Scientific	OR59362
Bide Pharmatech	BD72834
A&J Pharmtech	AJA-O2851

Database	Data ID
PubChem	11148739

M. W.

220.65496

CAS

75634-04-7

Similarity

N/A

ID: 90128

(4-bromo-6-chloropyridin-3-yl)boronic acid

$$$$ Data

M. F.

C5H4BBrClNO2

Suppliers	Catalog Number
Apollo Scientific	OR59363

Database	Data ID
PubChem	44119591

M. W.

236.25876

CAS

957062-85-0

Similarity

N/A

ID: 90129

5-(3-chlorophenyl)-1,3-oxazole-4-carboxylic acid

$$$$ Data

M. F.

C10H6ClNO3

Suppliers	Catalog Number
Apollo Scientific	OR59364
Bide Pharmatech	BD100826

Database	Data ID
PubChem	2739757

M. W.

223.61254

CAS

255876-54-1

Similarity

N/A

ID: 90130

ethyl 1-(ethoxymethyl)-1H-imidazole-4-carboxylate

$$$$ Data

M. F.

C9H14N2O3

Suppliers	Catalog Number
Apollo Scientific	OR59365
Bide Pharmatech	BD230803

Database	Data ID
PubChem	26967031

M. W.

198.21906

CAS

957062-83-8

Similarity

N/A

ID: 90131

1-(4-chloro-1H-indazol-1-yl)ethan-1-one

$$$$ Data

M. F.

C9H7ClN2O

Suppliers	Catalog Number
Apollo Scientific	OR59366

Database	Data ID
PubChem	12639179

M. W.

194.61768

CAS

145439-15-2

Similarity

N/A

ID: 90132

1-(6-chloro-1H-indazol-1-yl)ethan-1-one

$$$$ Data

M. F.

C9H7ClN2O

Suppliers	Catalog Number
Apollo Scientific	OR59367

Database	Data ID
PubChem	12639180

M. W.

194.61768

CAS

708-40-7

Similarity

N/A

ID: 90133

1-(5-nitro-1H-indazol-1-yl)ethan-1-one

$$$$ Data

M. F.

C9H7N3O3

Suppliers	Catalog Number
Apollo Scientific	OR59368

Database	Data ID
PubChem	23270880

M. W.

205.17018

CAS

13436-55-0

Similarity

N/A

ID: 90134

4-bromobenzene-1-carboximidamide hydrochloride

$$$$ Data

M. F.

C7H8BrClN2

Suppliers	Catalog Number
Apollo Scientific	OR59369
Enamine	EN300-82342
A&J Pharmtech	AJA-O39841

Database	Data ID
PubChem	12207714

M. W.

235.50882

CAS

22265-36-7

Similarity

N/A

ID: 90135

methyl 6-(pyrrolidin-1-yl)pyridine-3-carboxylate

$$$$ Data

M. F.

C11H14N2O2

Suppliers	Catalog Number
Maybridge	MO07009
Apollo Scientific	OR59370

Database	Data ID
PubChem	2794748

M. W.

206.24106

CAS

210963-94-3

Similarity

N/A

ID: 90136

3-chloro-N,2-dimethylaniline hydrochloride

$$$$ Data

M. F.

C8H11Cl2N

Suppliers	Catalog Number
Apollo Scientific	OR59371

Database	Data ID
PubChem	44119592

M. W.

192.08564

CAS

957062-82-7

Similarity

N/A

ID: 90137

N-(4-chloro-3-hydroxyphenyl)acetamide

$$$$ Data

M. F.

C8H8ClNO2

Suppliers	Catalog Number
Apollo Scientific	OR59372

Database	Data ID
PubChem	14122483

M. W.

185.60762

CAS

28443-52-9

Similarity

N/A

ID: 90138

2-bromo-5-chloro-4-methylaniline

$$$$ Data

M. F.

C7H7BrClN

Suppliers	Catalog Number
Apollo Scientific	OR59373

Database	Data ID
PubChem	3334656

M. W.

220.49418

CAS

102170-52-5

Similarity

N/A

ID: 90139

2,3-dihydro-1H-indole-2-carboxylic acid

$$$$ Data More

M. F.

C9H9NO2

Suppliers	Catalog Number
Sigma Aldrich	302244 57245
Alfa Aesar	B25450
Maybridge	BTB14322

Database	Data ID
PubChem	86074

M. W.

163.17326

CAS

78348-24-0

Similarity

N/A

ID: 90140

[5-(2,4-dichlorophenyl)-1,3-oxazol-4-yl]methanol

$$$$ Data

M. F.

C10H7Cl2NO2

Suppliers	Catalog Number
Apollo Scientific	OR59376
Bide Pharmatech	BD231200

Database	Data ID
PubChem	26967037

M. W.

244.07408

CAS

957062-73-6

Similarity

N/A

ID: 90141

4-bromo-1-(2-bromobenzenesulfonyl)-1H-pyrazole

$$$$ Data

M. F.

C9H6Br2N2O2S

Suppliers	Catalog Number
Apollo Scientific	OR59377
Bide Pharmatech	BD229672

Database	Data ID
PubChem	26967038

M. W.

366.02914

CAS

957062-77-0

Similarity

N/A

ID: 90142

4,4-dimethylcyclohex-2-en-1-one

$$$$ Data More

M. F.

C8H12O

Suppliers	Catalog Number
Sigma Aldrich	245542
Alfa Aesar	17162
Apollo Scientific	OR59378

Database	Data ID
PubChem	136839

M. W.

124.18028

CAS

1073-13-8

Similarity

N/A

ID: 90143

N-benzyl-2-bromobenzene-1-sulfonamide

$$$$ Data

M. F.

C13H12BrNO2S

Suppliers	Catalog Number
Alfa Aesar	H60617
Apollo Scientific	OR59379

Database	Data ID
PubChem	7938012

M. W.

326.20888

CAS

321704-27-2

Similarity

N/A

ID: 90144

(2,3-dimethylphenyl)hydrazine hydrochloride

$$$$ Data

M. F.

C8H13ClN2

Suppliers	Catalog Number
Alfa Aesar	A16526
Apollo Scientific	OR5938

Database	Data ID
PubChem	2774885

M. W.

172.65522

CAS

56737-75-8

Similarity

N/A

ID: 90145

3-(2-bromophenyl)-5-(2-chlorophenyl)-1,2,4-oxadiazole

$$$$ Data

M. F.

C14H8BrClN2O

Suppliers	Catalog Number
Apollo Scientific	OR59381

Database	Data ID
PubChem	26967039

M. W.

335.58312

CAS

Similarity

N/A

ID: 90146

2-bromo-6-ethoxypyridine

$$$$ Data

M. F.

C7H8BrNO

Suppliers	Catalog Number
Apollo Scientific	OR59382
A&J Pharmtech	AJA-O39549

Database	Data ID
PubChem	1201018

M. W.

202.04852

CAS

4645-11-8

Similarity

N/A

ID: 90147

5-bromo-N-ethyl-3-nitropyridin-2-amine

$$$$ Data

M. F.

C7H8BrN3O2

Suppliers	Catalog Number
Apollo Scientific	OR59383
Bide Pharmatech	BD229123

Database	Data ID
PubChem	24903129

M. W.

246.06132

CAS

26820-37-1

Similarity

N/A

ID: 90148

3-(2-bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole

$$$$ Data

M. F.

C14H7BrCl2N2O

Suppliers	Catalog Number
Apollo Scientific	OR59384

Database	Data ID
PubChem	26967042

M. W.

370.02818

CAS

Similarity

N/A

ID: 90149

3-(2-bromophenyl)-5-(3-nitrophenyl)-1,2,4-oxadiazole

$$$$ Data

M. F.

C14H8BrN3O3

Suppliers	Catalog Number
Apollo Scientific	OR59386
Bide Pharmatech	BD228750

Database	Data ID
PubChem	26967044

M. W.

346.13562

CAS

1000339-27-4

Similarity

N/A

ID: 90150

{3-[(2-hydroxyethyl)carbamoyl]phenyl}boronic acid

$$$$ Data

M. F.

C9H12BNO4

Suppliers	Catalog Number
Apollo Scientific	OR59387
Bide Pharmatech	BD231588

Database	Data ID
PubChem	44119593

M. W.

209.00688

CAS

955422-14-7

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