Chembase list of 866358 unique molecular structures

3-hydroxy-2-[(5-hydroxypyridin-3-yl)formamido]propanoic acid

$$$$ Data

M. F.

C9H10N2O5

Suppliers	Catalog Number
Matrix Scientific	010367
InterBioScreen	STOCK1N-41372

Database	Data ID
PubChem	2893375

M. W.

226.1861

CAS

28854-76-4

Similarity

N/A

ID: 12952

1-(3,4-dimethylbenzenesulfonyl)cyclopropane-1-carboxylic acid

$$$$ Data

M. F.

C12H14O4S

Suppliers	Catalog Number
Matrix Scientific	010368

Database	Data ID
PubChem	846187

M. W.

254.30216

CAS

505071-93-2

Similarity

N/A

ID: 12953

2-methyl-decahydroquinolin-4-one

$$$$ Data

M. F.

C10H17NO

Suppliers	Catalog Number
Matrix Scientific	010369

Database	Data ID
PubChem	580070

M. W.

167.24808

CAS

Similarity

N/A

ID: 12954

4-ethynyl-2-methyl-decahydroquinolin-4-ol

$$$$ Data

M. F.

C12H19NO

Suppliers	Catalog Number
Matrix Scientific	010370

Database	Data ID
PubChem	601253

M. W.

193.28536

CAS

59693-01-5

Similarity

N/A

ID: 12955

2-hydrazinylpyridine-3-carboxylic acid hydrochloride

$$$$ Data

M. F.

C6H8ClN3O2

Suppliers	Catalog Number
Matrix Scientific	010371

Database	Data ID
PubChem	45074822

M. W.

189.59962

CAS

435342-14-6

Similarity

N/A

ID: 12956

2-methyl-1-(prop-2-en-1-yl)-1H-indole-3-carbaldehyde

$$$$ Data

M. F.

C13H13NO

Suppliers	Catalog Number
Matrix Scientific	010372

Database	Data ID
PubChem	801660

M. W.

199.24842

CAS

230283-19-9

Similarity

N/A

ID: 12957

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

$$$$ Data

M. F.

C13H13NO3

Suppliers	Catalog Number
Matrix Scientific	010373

Database	Data ID
PubChem	801676

M. W.

231.24722

CAS

27065-94-7

Similarity

N/A

ID: 12958

3-methoxy-4-(prop-2-yn-1-yloxy)benzaldehyde

$$$$ Data

M. F.

C11H10O3

Suppliers	Catalog Number
Matrix Scientific	010374

Database	Data ID
PubChem	3144066

M. W.

190.1953

CAS

5651-83-2

Similarity

N/A

ID: 12959

1-(propan-2-yl)-1H-indole-3-carbaldehyde

$$$$ Data

M. F.

C12H13NO

Suppliers	Catalog Number
ChemBridge	4002643
Matrix Scientific	010375
InterBioScreen	BB_SC-1169

Database	Data ID
PubChem	801695

M. W.

187.23772

CAS

151409-84-6

Similarity

N/A

ID: 12960

5-(1H-1,3-benzodiazol-2-ylsulfanyl)furan-2-carbaldehyde

$$$$ Data

M. F.

C12H8N2O2S

Suppliers	Catalog Number
Matrix Scientific	010376

Database	Data ID
PubChem	698427

M. W.

244.26912

CAS

39689-08-2

Similarity

N/A

ID: 12961

4-(diethylamino)-2-methoxybenzaldehyde

$$$$ Data More

M. F.

C12H17NO2

Suppliers	Catalog Number
Matrix Scientific	010377
Apollo Scientific	OR30988
Bide Pharmatech	BD14193

Database	Data ID
PubChem	780883

M. W.

207.26888

CAS

55586-68-0

Similarity

N/A

ID: 12962

3-ethoxy-4-(prop-2-yn-1-yloxy)benzaldehyde

$$$$ Data

M. F.

C12H12O3

Suppliers	Catalog Number
Matrix Scientific	010378
Enamine	EN300-08899

Database	Data ID
PubChem	2068120

M. W.

204.22188

CAS

428847-37-4

Similarity

N/A

ID: 12963

5-(azepan-1-yl)furan-2-carbaldehyde

$$$$ Data

M. F.

C11H15NO2

Suppliers	Catalog Number
Matrix Scientific	010379

Database	Data ID
PubChem	801513

M. W.

193.2423

CAS

436088-58-3

Similarity

N/A

ID: 12964

1-(prop-2-en-1-yl)-1H-indole-3-carbaldehyde

$$$$ Data

M. F.

C12H11NO

Suppliers	Catalog Number
Matrix Scientific	010380

Database	Data ID
PubChem	801516

M. W.

185.22184

CAS

111480-86-5

Similarity

N/A

ID: 12965

1-(prop-2-yn-1-yl)-1H-indole-3-carbaldehyde

$$$$ Data

M. F.

C12H9NO

Suppliers	Catalog Number
ChemBridge	4028960
Matrix Scientific	010381

Database	Data ID
PubChem	801531

M. W.

183.20596

CAS

173531-53-8

Similarity

N/A

ID: 12966

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

$$$$ Data

M. F.

C14H13NO3

Suppliers	Catalog Number
Matrix Scientific	010382
Enamine	EN300-12233

Database	Data ID
PubChem	801538

M. W.

243.25792

CAS

409353-81-7

Similarity

N/A

ID: 12967

(3,5-dihydro-1H-2,4-benzodioxepin-3-ylmethyl)(prop-2-en-1-yl)amine hydrochloride

$$$$ Data

M. F.

C13H18ClNO2

Suppliers	Catalog Number
Matrix Scientific	010383

Database	Data ID
PubChem	45074823

M. W.

255.74052

CAS

Similarity

N/A

ID: 12968

2-{[2-(dimethylamino)ethyl]amino}ethan-1-ol

$$$$ Data

M. F.

C6H16N2O

Suppliers	Catalog Number
Matrix Scientific	010384

Database	Data ID
PubChem	546919

M. W.

132.20404

CAS

38361-86-3

Similarity

N/A

ID: 12969

5-[(thiophen-2-ylmethyl)amino]-2,3-dihydro-1H-1,3-benzodiazol-2-one

$$$$ Data

M. F.

C12H11N3OS

Suppliers	Catalog Number
Matrix Scientific	010385

Database	Data ID
PubChem	566478

M. W.

245.30024

CAS

384858-25-7

Similarity

N/A

ID: 12970

2-chloro-1-(6-methoxy-2,2,4-trimethyl-1,2-dihydroquinolin-1-yl)ethan-1-one

$$$$ Data

M. F.

C15H18ClNO2

Suppliers	Catalog Number
Matrix Scientific	010386

Database	Data ID
PubChem	801343

M. W.

279.76192

CAS

375833-63-9

Similarity

N/A

ID: 12971

2-chloro-1-(6-methoxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-on...

$$$$ Data

M. F.

C15H20ClNO2

Suppliers	Catalog Number
Matrix Scientific	010387

Database	Data ID
PubChem	3144306

M. W.

281.7778

CAS

376371-15-2

Similarity

N/A

ID: 12972

2-chloro-1-(2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

$$$$ Data

M. F.

C14H18ClNO

Suppliers	Catalog Number
Matrix Scientific	010388

Database	Data ID
PubChem	3144307

M. W.

251.75182

CAS

14036-98-7

Similarity

N/A

ID: 12973

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

$$$$ Data

M. F.

C15H20ClNO

Suppliers	Catalog Number
Matrix Scientific	010389

Database	Data ID
PubChem	3144308

M. W.

265.7784

CAS

364745-60-8

Similarity

N/A

ID: 12974

1-(2-chloroacetyl)piperidine-4-carboxamide

$$$$ Data

M. F.

C8H13ClN2O2

Suppliers	Catalog Number
Matrix Scientific	010390
Apollo Scientific	OR13275
Enamine	EN300-08063

Database	Data ID
PubChem	715807

M. W.

204.65402

CAS

375359-83-4

Similarity

N/A

ID: 12975

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamid...

$$$$ Data

M. F.

C8H9N5O2S2

Suppliers	Catalog Number
Matrix Scientific	010391

Database	Data ID
PubChem	1990446

M. W.

271.31936

CAS

Similarity

N/A

ID: 12976

furan-2-yl(phenyl)methanamine hydrochloride

$$$$ Data

M. F.

C11H12ClNO

Suppliers	Catalog Number
Sigma Aldrich	CBR00765
Matrix Scientific	010392

Database	Data ID
PubChem	12280962

M. W.

209.67208

CAS

53387-67-0

Similarity

N/A

ID: 12977

ethyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate hydrochloride

$$$$ Data

M. F.

C12H16ClNO2

Suppliers	Catalog Number
Matrix Scientific	010393
A&J Pharmtech	AJA-O7937 AJA-O8808 AJA-O7936 (more...)

Database	Data ID
PubChem	6603637

M. W.

241.71394

CAS

57980-74-2

Similarity

N/A

ID: 12978

[(4-methylphenyl)methyl](oxolan-2-ylmethyl)amine

$$$$ Data

M. F.

C13H19NO

Suppliers	Catalog Number
ChemBridge	6601778
Matrix Scientific	010394

Database	Data ID
PubChem	3144563

M. W.

205.29606

CAS

202199-07-3

Similarity

N/A

ID: 12979

[(4-methoxyphenyl)methyl](1-phenylethyl)amine hydrochloride

$$$$ Data

M. F.

C16H20ClNO

Suppliers	Catalog Number
Matrix Scientific	010395

Database	Data ID
PubChem	44784841

M. W.

277.7891

CAS

858427-92-6

Similarity

N/A

ID: 12980

[(4-methoxyphenyl)methyl](oxolan-2-ylmethyl)amine

$$$$ Data

M. F.

C13H19NO2

Suppliers	Catalog Number
ChemBridge	6613930
Matrix Scientific	010396

Database	Data ID
PubChem	3144568

M. W.

221.29546

CAS

356537-07-0

Similarity

N/A

ID: 12981

(oxolan-2-ylmethyl)[(3,4,5-trimethoxyphenyl)methyl]amine

$$$$ Data

M. F.

C15H23NO4

Suppliers	Catalog Number
Matrix Scientific	010397

Database	Data ID
PubChem	3144570

M. W.

281.34742

CAS

Similarity

N/A

ID: 12982

4-[(naphthalen-1-yl)amino]butan-1-ol

$$$$ Data

M. F.

C14H17NO

Suppliers	Catalog Number
Matrix Scientific	010398

Database	Data ID
PubChem	646092

M. W.

215.29088

CAS

Similarity

N/A

ID: 12983

(cyclohexylmethyl)(oxolan-2-ylmethyl)amine hydrochloride

$$$$ Data

M. F.

C12H24ClNO

Suppliers	Catalog Number
Matrix Scientific	010399

Database	Data ID
PubChem	17371092

M. W.

233.77806

CAS

1048649-17-7

Similarity

N/A

ID: 12984

1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indole-3-carbaldehyde

$$$$ Data

M. F.

C15H16N2O3

Suppliers	Catalog Number
Matrix Scientific	010400

Database	Data ID
PubChem	819774

M. W.

272.29914

CAS

Similarity

N/A

ID: 12985

5-[(benzylsulfanyl)methyl]furan-2-carboxylic acid

$$$$ Data

M. F.

C13H12O3S

Suppliers	Catalog Number
Matrix Scientific	010401
InterBioScreen	BB_SC-0188

Database	Data ID
PubChem	740365

M. W.

248.29758

CAS

91903-26-3

Similarity

N/A

ID: 12986

1-phenyl-4,5-dihydro-1H-pyrazol-3-amine

$$$$ Data More

M. F.

C9H11N3

Suppliers	Catalog Number
Sigma Aldrich	686123
ChemBridge	3020251
Alfa Aesar	L06476

Database	Data ID
PubChem	98736

M. W.

161.20374

CAS

3314-35-0

Similarity

N/A

ID: 12987

4-(morpholine-4-sulfonyl)benzoic acid

$$$$ Data More

M. F.

C11H13NO5S

Suppliers	Catalog Number
Matrix Scientific	010403
Life Chemicals	F1386-0329
InterBioScreen	BB_SC-8255

Database	Data ID
PubChem	559416

M. W.

271.28962

CAS

10252-82-1

Similarity

N/A

ID: 12988

4-(piperidine-1-sulfonyl)benzoic acid

$$$$ Data

M. F.

C12H15NO4S

Suppliers	Catalog Number
Matrix Scientific	010404
Life Chemicals	F1386-0330
Enamine	EN300-00394

Database	Data ID
PubChem	746555

M. W.

269.3168

CAS

10252-83-2

Similarity

N/A

ID: 12989

4-[(4-methylpiperazin-1-yl)sulfonyl]benzoic acid

$$$$ Data

M. F.

C12H16N2O4S

Suppliers	Catalog Number
Matrix Scientific	010405

Database	Data ID
PubChem	781184

M. W.

284.33144

CAS

19580-36-0

Similarity

N/A

ID: 12990

2-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)acetic acid

$$$$ Data

M. F.

C10H10FNO3S

Suppliers	Catalog Number
Matrix Scientific	010406
Enamine	EN300-09746

Database	Data ID
PubChem	710295

M. W.

243.2547032

CAS

Similarity

N/A

ID: 12991

2-[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetic acid

$$$$ Data

M. F.

C6H7N3O3S

Suppliers	Catalog Number
Matrix Scientific	010407

Database	Data ID
PubChem	48280

M. W.

201.20308

CAS

Similarity

N/A

ID: 12992

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

$$$$ Data

M. F.

C12H11N3S

Suppliers	Catalog Number
Matrix Scientific	010408

Database	Data ID
PubChem	711813

M. W.

229.30084

CAS

Similarity

N/A

ID: 12993

2-methyl-5-{tetramethyl-6H-pyrrolo[3,4-d]pyridazin-6-yl}aniline

$$$$ Data

M. F.

C17H20N4

Suppliers	Catalog Number
Matrix Scientific	010409

Database	Data ID
PubChem	706754

M. W.

280.3675

CAS

Similarity

N/A

ID: 12994

2-{tetramethyl-6H-pyrrolo[3,4-d]pyridazin-6-yl}aniline

$$$$ Data

M. F.

C16H18N4

Suppliers	Catalog Number
Matrix Scientific	010410

Database	Data ID
PubChem	787583

M. W.

266.34092

CAS

Similarity

N/A

ID: 12995

2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetic acid

$$$$ Data

M. F.

C14H16N2O2S

Suppliers	Catalog Number
Matrix Scientific	010411

Database	Data ID
PubChem	3145114

M. W.

276.35404

CAS

Similarity

N/A

ID: 12996

4-{[(3Z)-4-(methoxycarbonyl)-5-methyl-2-oxo-2,3-dihydro-1H-pyrrol-3-ylidene]meth...

$$$$ Data

M. F.

C15H13NO5

Suppliers	Catalog Number
Matrix Scientific	010412

Database	Data ID
PubChem	5290275

M. W.

287.26742

CAS

Similarity

N/A

ID: 12997

4-{[(2E)-4-(methoxycarbonyl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrrol-2-ylidene]meth...

$$$$ Data

M. F.

C15H13NO5

Suppliers	Catalog Number
Matrix Scientific	010413

Database	Data ID
PubChem	5349619

M. W.

287.26742

CAS

Similarity

N/A

ID: 12998

1-methyl-1,2,3,4-tetrahydroquinoline-6-carbaldehyde

$$$$ Data More

M. F.

C11H13NO

Suppliers	Catalog Number
Sigma Aldrich	CBR00342
ChemBridge	4300153
Matrix Scientific	010414

Database	Data ID
PubChem	2793014

M. W.

175.22702

CAS

493-50-5

Similarity

N/A

ID: 12999

4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

$$$$ Data More

M. F.

C7H10N2S

Suppliers	Catalog Number
Sigma Aldrich	685372
ChemBridge	3000350
Matrix Scientific	010415

Database	Data ID
PubChem	18046

M. W.

154.2327

CAS

2933-29-1

Similarity

N/A

ID: 13000

[(3,4-dimethoxyphenyl)methyl](pyridin-3-ylmethyl)amine; oxalic acid

$$$$ Data

M. F.

C17H20N2O6

Suppliers	Catalog Number
Matrix Scientific	010416

Database	Data ID
PubChem	17052995

M. W.

348.3505

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