Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C14H12ClNO

Suppliers	Catalog Number
ChemBridge	6636578
Matrix Scientific	032775
TRC	C374950

Database	Data ID
PubChem	1129350

M. W.

245.70418

CAS

23088-28-0

Similarity

N/A

ID: 30152

5-fluoro-1H-indole-2-carboxylic acid

$$$$ Data More

M. F.

C9H6FNO2

Suppliers	Catalog Number
Sigma Aldrich	265128
MP Biomedicals	02153704
Alfa Aesar	A12794

Database	Data ID
PubChem	1820

M. W.

179.1478432

CAS

399-76-8

Similarity

N/A

ID: 30153

2-[5-(2-chlorophenyl)-2H-1,2,3,4-tetrazol-2-yl]acetic acid

$$$$ Data

M. F.

C9H7ClN4O2

Suppliers	Catalog Number
Matrix Scientific	032778

Database	Data ID
PubChem	692366

M. W.

238.63048

CAS

5626-38-0

Similarity

N/A

ID: 30154

4-(morpholin-4-ylmethyl)benzoic acid

$$$$ Data More

M. F.

C12H15NO3

Suppliers	Catalog Number
Alfa Aesar	H26364
Matrix Scientific	032779
Maybridge	CC29301

Database	Data ID
PubChem	703507

M. W.

221.2524

CAS

62642-62-0

Similarity

N/A

ID: 30155

6-methoxy-2-oxo-1,2-dihydroquinoline-3-carbaldehyde

$$$$ Data

M. F.

C11H9NO3

Suppliers	Catalog Number
Matrix Scientific	032781
InterBioScreen	BB_NC-2913

Database	Data ID
PubChem	802432

M. W.

203.19406

CAS

123990-78-3

Similarity

N/A

ID: 30156

3-(2-aminoethyl)-5-methoxy-1H-indole-2-carboxylic acid

$$$$ Data

M. F.

C12H14N2O3

Suppliers	Catalog Number
Matrix Scientific	032783
InterBioScreen	BB_NC-1184 STOCK1N-49185
A&J Pharmtech	AJA-O39769

Database	Data ID
PubChem	698111

M. W.

234.25116

CAS

52648-13-2

Similarity

N/A

ID: 30157

4-(pyrrolidin-2-yl)hepta-1,6-dien-4-ol

$$$$ Data

M. F.

C11H19NO

Suppliers	Catalog Number
Matrix Scientific	032784

Database	Data ID
PubChem	3138066

M. W.

181.27466

CAS

Similarity

N/A

ID: 30158

1-methoxy-3-(prop-2-en-1-yl)hex-5-en-3-amine

$$$$ Data

M. F.

C10H19NO

Suppliers	Catalog Number
Matrix Scientific	032785

Database	Data ID
PubChem	3138067

M. W.

169.26396

CAS

Similarity

N/A

ID: 30159

2-(prop-2-en-1-yl)-2,3-dihydro-1H-indole hydrochloride

$$$$ Data

M. F.

C11H14ClN

Suppliers	Catalog Number
Matrix Scientific	032786

Database	Data ID
PubChem	2832195

M. W.

195.68856

CAS

Similarity

N/A

ID: 30160

1-methyl-3-propyl-1H-pyrazole-5-carboxylic acid

$$$$ Data More

M. F.

C8H12N2O2

Suppliers	Catalog Number
ChemBridge	4402460
Matrix Scientific	032788
InterBioScreen	BB_SC-10407

Database	Data ID
PubChem	587797

M. W.

168.19308

CAS

139755-99-0

Similarity

N/A

ID: 30161

2-chloro-N-(4-methylpyrimidin-2-yl)acetamide

$$$$ Data

M. F.

C7H8ClN3O

Suppliers	Catalog Number
Matrix Scientific	032789

Database	Data ID
PubChem	2384218

M. W.

185.61092

CAS

Similarity

N/A

ID: 30162

(3,5-dihydro-1H-2,4-benzodioxepin-3-ylmethyl)(2-methylpropyl)amine

$$$$ Data

M. F.

C14H21NO2

Suppliers	Catalog Number
Matrix Scientific	032791
InterBioScreen	STOCK1N-25869

Database	Data ID
PubChem	748680

M. W.

235.32204

CAS

Similarity

N/A

ID: 30163

1,2,3-trimethyl-1H-indole-5-carboxylic acid

$$$$ Data

M. F.

C12H13NO2

Suppliers	Catalog Number
Matrix Scientific	032792
Life Chemicals	F3255-0041
Enamine	EN300-83476

Database	Data ID
PubChem	609042

M. W.

203.23712

CAS

Similarity

N/A

ID: 30164

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

$$$$ Data

M. F.

C12H15NO

Suppliers	Catalog Number
Matrix Scientific	032793
InterBioScreen	BB_SC-2364

Database	Data ID
PubChem	910637

M. W.

189.2536

CAS

Similarity

N/A

ID: 30165

5-(pyridin-2-ylsulfanyl)furan-2-carbaldehyde

$$$$ Data

M. F.

C10H7NO2S

Suppliers	Catalog Number
Matrix Scientific	032794
Maybridge	MO07099
Bide Pharmatech	BD100740

Database	Data ID
PubChem	2794784

M. W.

205.23308

CAS

709635-68-7

Similarity

N/A

ID: 30166

(1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine; oxalic acid

$$$$ Data

M. F.

C15H22N2O4

Suppliers	Catalog Number
Matrix Scientific	032795

Database	Data ID
PubChem	651422

M. W.

294.34618

CAS

Similarity

N/A

ID: 30167

2-[2-(phenylamino)-1,3-thiazol-4-yl]acetic acid

$$$$ Data

M. F.

C11H10N2O2S

Suppliers	Catalog Number
Matrix Scientific	032796
Life Chemicals	F0911-5103

Database	Data ID
PubChem	839618

M. W.

234.2743

CAS

Similarity

N/A

ID: 30168

2-{2-[(4-chlorophenyl)amino]-1,3-thiazol-4-yl}acetic acid

$$$$ Data

M. F.

C11H9ClN2O2S

Suppliers	Catalog Number
Matrix Scientific	032797

Database	Data ID
PubChem	1133199

M. W.

268.71936

CAS

Similarity

N/A

ID: 30169

2-{2-[(3-methylphenyl)amino]-1,3-thiazol-4-yl}acetic acid

$$$$ Data

M. F.

C12H12N2O2S

Suppliers	Catalog Number
Matrix Scientific	032798

Database	Data ID
PubChem	1133203

M. W.

248.30088

CAS

Similarity

N/A

ID: 30170

2-{2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}acetic acid

$$$$ Data

M. F.

C12H12N2O2S

Suppliers	Catalog Number
Matrix Scientific	032799

Database	Data ID
PubChem	1133206

M. W.

248.30088

CAS

Similarity

N/A

ID: 30171

2-{2-[(4-fluorophenyl)amino]-1,3-thiazol-4-yl}acetic acid

$$$$ Data

M. F.

C11H9FN2O2S

Suppliers	Catalog Number
Matrix Scientific	032800
Life Chemicals	F2158-0418

Database	Data ID
PubChem	1133217

M. W.

252.2647632

CAS

Similarity

N/A

ID: 30172

2-{2-[(2-fluorophenyl)amino]-1,3-thiazol-4-yl}acetic acid

$$$$ Data

M. F.

C11H9FN2O2S

Suppliers	Catalog Number
Matrix Scientific	032801

Database	Data ID
PubChem	4769786

M. W.

252.2647632

CAS

Similarity

N/A

ID: 30173

2-[2-(benzylamino)-1,3-thiazol-4-yl]acetic acid

$$$$ Data

M. F.

C12H12N2O2S

Suppliers	Catalog Number
Matrix Scientific	032802

Database	Data ID
PubChem	1133220

M. W.

248.30088

CAS

Similarity

N/A

ID: 30174

3-(3-methylphenyl)-1H-pyrazol-5-amine hydrochloride

$$$$ Data

M. F.

C10H12ClN3

Suppliers	Catalog Number
Matrix Scientific	032803

Database	Data ID
PubChem	16495411

M. W.

209.67538

CAS

Similarity

N/A

ID: 30175

4-methyl-3-(4-methylphenyl)-1H-pyrazol-5-amine

$$$$ Data

M. F.

C11H13N3

Suppliers	Catalog Number
Matrix Scientific	032804

Database	Data ID
PubChem	25317790

M. W.

187.24102

CAS

Similarity

N/A

ID: 30176

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

$$$$ Data More

M. F.

C9H8ClN3

Suppliers	Catalog Number
Matrix Scientific	032805
Key Organics	AA-0869
Apollo Scientific	OR15158

Database	Data ID
PubChem	3820802

M. W.

193.63292

CAS

208519-09-9

Similarity

N/A

ID: 30177

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

$$$$ Data

M. F.

C10H11Cl2N3

Suppliers	Catalog Number
Matrix Scientific	032806

Database	Data ID
PubChem	46736375

M. W.

244.12044

CAS

Similarity

N/A

ID: 30178

5-chloro-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid

$$$$ Data

M. F.

C8H8ClNO3

Suppliers	Catalog Number
ChemBridge	4031024
Matrix Scientific	032807

Database	Data ID
PubChem	25766787

M. W.

201.60702

CAS

309275-47-6

Similarity

N/A

ID: 30179

4-(3-amino-1-benzofuran-2-yl)-4-oxobutanoic acid

$$$$ Data

M. F.

C12H11NO4

Suppliers	Catalog Number
Matrix Scientific	032808

Database	Data ID
PubChem	6483793

M. W.

233.22004

CAS

Similarity

N/A

ID: 30180

1-ethyl-2-methyl-4-phenyl-1H-pyrrole-3-carboxylic acid

$$$$ Data

M. F.

C14H15NO2

Suppliers	Catalog Number
Matrix Scientific	032809

Database	Data ID
PubChem	3724042

M. W.

229.2744

CAS

Similarity

N/A

ID: 30181

[2-(1H-indol-3-yl)ethyl][(1-methyl-1H-pyrrol-2-yl)methyl]amine hydrochloride

$$$$ Data

M. F.

C16H20ClN3

Suppliers	Catalog Number
Matrix Scientific	032810

Database	Data ID
PubChem	17295865

M. W.

289.8031

CAS

Similarity

N/A

ID: 30182

(2H-1,3-benzodioxol-5-ylmethyl)[(2-methoxyphenyl)methyl]amine hydrochloride

$$$$ Data

M. F.

C16H18ClNO3

Suppliers	Catalog Number
Matrix Scientific	032811

Database	Data ID
PubChem	17291809

M. W.

307.77202

CAS

Similarity

N/A

ID: 30183

2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-methoxybenzoic acid

$$$$ Data

M. F.

C14H15NO3

Suppliers	Catalog Number
Matrix Scientific	032814

Database	Data ID
PubChem	21209345

M. W.

245.2738

CAS

Similarity

N/A

ID: 30184

1-benzofuran-2-carbonyl chloride

$$$$ Data More

M. F.

C9H5ClO2

Suppliers	Catalog Number
Sigma Aldrich	715697
Matrix Scientific	032815
Maybridge	CC06602

Database	Data ID
PubChem	38949

M. W.

180.5878

CAS

41717-28-6

Similarity

N/A

ID: 30185

3-[(benzylamino)methyl]-7-methyl-1,2-dihydroquinolin-2-one

$$$$ Data

M. F.

C18H18N2O

Suppliers	Catalog Number
Matrix Scientific	032817

Database	Data ID
PubChem	864787

M. W.

278.34832

CAS

Similarity

N/A

ID: 30186

3-[(benzylamino)methyl]-6-methyl-1,2-dihydroquinolin-2-one

$$$$ Data

M. F.

C18H18N2O

Suppliers	Catalog Number
Matrix Scientific	032818

Database	Data ID
PubChem	864797

M. W.

278.34832

CAS

Similarity

N/A

ID: 30187

3-(4-fluorophenyl)propan-1-amine

$$$$ Data

M. F.

C9H12FN

Suppliers	Catalog Number
ChemBridge	4016879
Matrix Scientific	032819
A&J Pharmtech	AJA-O26925

Database	Data ID
PubChem	6483796

M. W.

153.1966832

CAS

101488-65-7

Similarity

N/A

ID: 30188

1-(2,3-dihydro-1H-indene-5-sulfonyl)pyrrolidine-2-carboxylic acid

$$$$ Data

M. F.

C14H17NO4S

Suppliers	Catalog Number
Matrix Scientific	032820

Database	Data ID
PubChem	647028

M. W.

295.35408

CAS

Similarity

N/A

ID: 30189

5-amino-2-(1,3-benzothiazol-2-yl)phenol

$$$$ Data

M. F.

C13H10N2OS

Suppliers	Catalog Number
Matrix Scientific	032821
Life Chemicals	F2146-0026
InterBioScreen	BB_SC-0450

Database	Data ID
PubChem	5397265

M. W.

242.2963

CAS

Similarity

N/A

ID: 30190

2-(2-methylphenyl)-1,3-benzoxazol-5-amine

$$$$ Data

M. F.

C14H12N2O

Suppliers	Catalog Number
Matrix Scientific	032822

Database	Data ID
PubChem	644436

M. W.

224.25788

CAS

Similarity

N/A

ID: 30191

3-[(benzylamino)methyl]-6-ethoxy-1,2-dihydroquinolin-2-one

$$$$ Data

M. F.

C19H20N2O2

Suppliers	Catalog Number
Matrix Scientific	032823

Database	Data ID
PubChem	864633

M. W.

308.3743

CAS

Similarity

N/A

ID: 30192

3-{[(furan-2-ylmethyl)amino]methyl}-6-methoxy-1,2-dihydroquinolin-2-one

$$$$ Data

M. F.

C16H16N2O3

Suppliers	Catalog Number
Matrix Scientific	032824

Database	Data ID
PubChem	864638

M. W.

284.30984

CAS

Similarity

N/A

ID: 30193

3-{[(2-chlorophenyl)amino]methyl}-7-methoxy-1,2-dihydroquinolin-2-one

$$$$ Data

M. F.

C17H15ClN2O2

Suppliers	Catalog Number
Matrix Scientific	032825

Database	Data ID
PubChem	864649

M. W.

314.7662

CAS

Similarity

N/A

ID: 30194

3-{[(furan-2-ylmethyl)amino]methyl}-7-methoxy-1,2-dihydroquinolin-2-one

$$$$ Data

M. F.

C16H16N2O3

Suppliers	Catalog Number
Matrix Scientific	032826

Database	Data ID
PubChem	864651

M. W.

284.30984

CAS

Similarity

N/A

ID: 30195

3-methylpiperidin-4-ol hydrochloride

$$$$ Data

M. F.

C6H14ClNO

Suppliers	Catalog Number
Matrix Scientific	032827
Bide Pharmatech	BD222242

Database	Data ID
PubChem	46736376

M. W.

151.63446

CAS

33557-57-2

Similarity

N/A

ID: 30196

3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)propanoic acid hydrochloride

$$$$ Data

M. F.

C14H20ClNO4

Suppliers	Catalog Number
Matrix Scientific	032828
InterBioScreen	BB_NC-2612 STOCK1N-09118

Database	Data ID
PubChem	11681011

M. W.

301.7659

CAS

Similarity

N/A

ID: 30197

5-(morpholin-4-ylmethyl)furan-2-carboxylic acid hydrochloride

$$$$ Data

M. F.

C10H14ClNO4

Suppliers	Catalog Number
Matrix Scientific	032829

Database	Data ID
PubChem	5331361

M. W.

247.67546

CAS

Similarity

N/A

ID: 30198

8-methyl-3-({[2-(morpholin-4-yl)ethyl]amino}methyl)-1,2-dihydroquinolin-2-one

$$$$ Data

M. F.

C17H23N3O2

Suppliers	Catalog Number
Matrix Scientific	032830

Database	Data ID
PubChem	3168192

M. W.

301.38342

CAS

Similarity

N/A

ID: 30199

2-amino-N-ethyl-3-(1H-indol-3-yl)propanamide

$$$$ Data

M. F.

C13H17N3O

Suppliers	Catalog Number
Matrix Scientific	032831

Database	Data ID
PubChem	3143284

M. W.

231.29358

CAS

Similarity

N/A

ID: 30200

1-[4-(propan-2-yloxy)phenyl]ethan-1-amine

$$$$ Data

M. F.

C11H17NO

Suppliers	Catalog Number
Matrix Scientific	032832
Enamine	EN300-33183

Database	Data ID
PubChem	59803

M. W.

179.25878

CAS

103990-05-2

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