Chembase list of 866358 unique molecular structures

2-[(4-cyanophenyl)amino]pyrimidine-4-carboxylic acid

$$$$ Data

M. F.

C12H8N4O2

Suppliers	Catalog Number
Matrix Scientific	077015
Key Organics	FG-0723

Database	Data ID
PubChem	71299225

M. W.

240.21752

CAS

Similarity

N/A

ID: 71402

N-cyclopropyl-2-nitroaniline

$$$$ Data

M. F.

C9H10N2O2

Suppliers	Catalog Number
Matrix Scientific	077016
Key Organics	FG-0053
Enamine	EN300-59460

Database	Data ID
PubChem	10487549

M. W.

178.1879

CAS

55432-23-0

Similarity

N/A

ID: 71403

2,6-diamino-5-bromopyrimidin-4-ol

$$$$ Data

M. F.

C4H5BrN4O

Suppliers	Catalog Number
MP Biomedicals	05205362
Matrix Scientific	077017
Key Organics	GG-0242

Database	Data ID
PubChem	80577

M. W.

205.0127

CAS

6312-72-7

Similarity

N/A

ID: 71404

2,6-diamino-5-chloropyrimidin-4-ol

$$$$ Data

M. F.

C4H5ClN4O

Suppliers	Catalog Number
Matrix Scientific	077018
Key Organics	HG-0204

Database	Data ID
PubChem	345632

M. W.

160.5617

CAS

71552-22-2

Similarity

N/A

ID: 71405

6,8-dichloro-4-oxo-4H-chromene-3-carbaldehyde

$$$$ Data

M. F.

C10H4Cl2O3

Suppliers	Catalog Number
Matrix Scientific	077019
Key Organics	9C-091
Apollo Scientific	OR1139

Database	Data ID
PubChem	522129

M. W.

243.04296

CAS

64481-10-8

Similarity

N/A

ID: 71406

1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-amine hydrochloride

$$$$ Data

M. F.

C13H20ClN

Suppliers	Catalog Number
Matrix Scientific	077020
Key Organics	SS-4347

Database	Data ID
PubChem	71299226

M. W.

225.7576

CAS

Similarity

N/A

ID: 71407

iminodimethyl-λ⁶-sulfanone

$$$$ Data

M. F.

C2H7NOS

Suppliers	Catalog Number
Matrix Scientific	077021
Key Organics	SS-4392

Database	Data ID
PubChem	123119

M. W.

93.14808

CAS

1520-31-6

Similarity

N/A

ID: 71408

2,2-dimethylaziridine

$$$$ Data

M. F.

C4H9N

Suppliers	Catalog Number
Matrix Scientific	077022
Key Organics	SS-4396

Database	Data ID
PubChem	227244

M. W.

71.12096

CAS

2658-24-4

Similarity

N/A

ID: 71409

5,7-dimethyl-4-oxo-4H-chromene-3-carbaldehyde

$$$$ Data

M. F.

C12H10O3

Suppliers	Catalog Number
Matrix Scientific	077023
Key Organics	8C-118
Apollo Scientific	OR27027

Database	Data ID
PubChem	522058

M. W.

202.206

CAS

Similarity

N/A

ID: 71410

N,N-dimethyl-2-(2-oxocyclopentyl)acetamide

$$$$ Data

M. F.

C9H15NO2

Suppliers	Catalog Number
Matrix Scientific	077024
Key Organics	SS-4395

Database	Data ID
PubChem	71299227

M. W.

169.2209

CAS

Similarity

N/A

ID: 71411

1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid

$$$$ Data

M. F.

C12H12N2O3

Suppliers	Catalog Number
Matrix Scientific	077025
Key Organics	SS-3597

Database	Data ID
PubChem	246564

M. W.

232.23528

CAS

83-10-3

Similarity

N/A

ID: 71412

ethyl 1-acetylcyclobutane-1-carboxylate

$$$$ Data

M. F.

C9H14O3

Suppliers	Catalog Number
Matrix Scientific	077026
Key Organics	GG-0714

Database	Data ID
PubChem	12116588

M. W.

170.20566

CAS

126290-87-7

Similarity

N/A

ID: 71413

ethyl 1-acetylcyclopentane-1-carboxylate

$$$$ Data

M. F.

C10H16O3

Suppliers	Catalog Number
Matrix Scientific	077027
Key Organics	GG-0704

Database	Data ID
PubChem	13050135

M. W.

184.23224

CAS

28247-15-6

Similarity

N/A

ID: 71414

ethyl 1-acetylcyclopropane-1-carboxylate

$$$$ Data

M. F.

C8H12O3

Suppliers	Catalog Number
Matrix Scientific	077028
Key Organics	GG-0703

Database	Data ID
PubChem	234183

M. W.

156.17908

CAS

32933-03-2

Similarity

N/A

ID: 71415

ethyl N-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]carbamothioyl}carbamate

$$$$ Data

M. F.

C10H9ClF3N3O2S

Suppliers	Catalog Number
Matrix Scientific	077029
Key Organics	AG-0018

Database	Data ID
PubChem	71299228

M. W.

327.7105696

CAS

Similarity

N/A

ID: 71416

ethyl 2-[(4-cyanophenyl)amino]pyrimidine-4-carboxylate

$$$$ Data

M. F.

C14H12N4O2

Suppliers	Catalog Number
Matrix Scientific	077030
Key Organics	FG-0719

Database	Data ID
PubChem	71299229

M. W.

268.27068

CAS

Similarity

N/A

ID: 71417

ethyl 2-(4,6-dihydroxypyrimidin-5-yl)acetate

$$$$ Data

M. F.

C8H10N2O4

Suppliers	Catalog Number
Matrix Scientific	077031
Key Organics	SS-4344

Database	Data ID
PubChem	57538087

M. W.

198.176

CAS

1095822-20-0

Similarity

N/A

ID: 71418

ethyl 7-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate

$$$$ Data

M. F.

C10H11N3O2

Suppliers	Catalog Number
Matrix Scientific	077032
Key Organics	EG-0727

Database	Data ID
PubChem	71299230

M. W.

205.21324

CAS

Similarity

N/A

ID: 71419

4-{[4-(hydroxymethyl)pyrimidin-2-yl]amino}benzonitrile

$$$$ Data

M. F.

C12H10N4O

Suppliers	Catalog Number
Matrix Scientific	077033
Key Organics	GG-0701

Database	Data ID
PubChem	71299231

M. W.

226.234

CAS

Similarity

N/A

ID: 71420

1,3-diethyl 2-{[(6-methoxypyridin-3-yl)amino]methylidene}propanedioate

$$$$ Data

M. F.

C14H18N2O5

Suppliers	Catalog Number
Matrix Scientific	077034
Key Organics	SS-4359

Database	Data ID
PubChem	619151

M. W.

294.30312

CAS

53241-90-0

Similarity

N/A

ID: 71421

4-iodo-1,2-dihydropyridin-2-one

$$$$ Data More

M. F.

C5H4INO

Suppliers	Catalog Number
Matrix Scientific	077035
Key Organics	SS-4341
Maybridge	MO07919

Database	Data ID
PubChem	20582535

M. W.

220.99583

CAS

858839-90-4

Similarity

N/A

ID: 71422

4-iodo-1-methyl-1H-pyrrole-2-carboxylic acid

$$$$ Data

M. F.

C6H6INO2

Suppliers	Catalog Number
Matrix Scientific	077036
Key Organics	FG-0709

Database	Data ID
PubChem	22361440

M. W.

251.02181

CAS

Similarity

N/A

ID: 71423

3-iodo-8-nitroquinoline

$$$$ Data

M. F.

C9H5IN2O2

Suppliers	Catalog Number
Matrix Scientific	077037
Key Organics	GG-0202
Enamine	EN300-78154

Database	Data ID
PubChem	12032367

M. W.

300.05267

CAS

497084-46-5

Similarity

N/A

ID: 71424

N-(3-iodoquinolin-8-yl)acetamide

$$$$ Data

M. F.

C11H9IN2O

Suppliers	Catalog Number
Matrix Scientific	077038
Key Organics	HG-0213

Database	Data ID
PubChem	71299232

M. W.

312.10643

CAS

Similarity

N/A

ID: 71425

(2E)-2-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methylidene}-3-methylbutanoic acid

$$$$ Data

M. F.

C17H24O5

Suppliers	Catalog Number
Matrix Scientific	077039
Key Organics	SS-4390

Database	Data ID
PubChem	16724467

M. W.

308.36946

CAS

387868-07-7

Similarity

N/A

ID: 71426

methyl 5-acetyl-4-bromo-1H-pyrrole-2-carboxylate

$$$$ Data

M. F.

C8H8BrNO3

Suppliers	Catalog Number
Matrix Scientific	077040
Key Organics	FG-0717

Database	Data ID
PubChem	10890186

M. W.

246.05802

CAS

157425-54-2

Similarity

N/A

ID: 71427

methyl 6-{bis[(tert-butoxy)carbonyl]amino}-5-bromopyridine-3-carboxylate

$$$$ Data

M. F.

C17H23BrN2O6

Suppliers	Catalog Number
Matrix Scientific	077041
Key Organics	FG-0702

Database	Data ID
PubChem	71299233

M. W.

431.27832

CAS

Similarity

N/A

ID: 71428

methyl 2-(4-formylphenoxy)propanoate

$$$$ Data

M. F.

C11H12O4

Suppliers	Catalog Number
Matrix Scientific	077042
Key Organics	8P-065
Enamine	EN300-106555

Database	Data ID
PubChem	18981016

M. W.

208.21058

CAS

70129-95-2

Similarity

N/A

ID: 71429

methyl 2-(3-formylphenoxy)acetate

$$$$ Data

M. F.

C10H10O4

Suppliers	Catalog Number
Matrix Scientific	077043
Key Organics	9P-009

Database	Data ID
PubChem	1494380

M. W.

194.184

CAS

37748-10-0

Similarity

N/A

ID: 71430

methyl 4-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-6-carboxylate

$$$$ Data

M. F.

C12H14O4

Suppliers	Catalog Number
Matrix Scientific	077044
Key Organics	SS-4388

Database	Data ID
PubChem	25067323

M. W.

222.23716

CAS

955884-97-6

Similarity

N/A

ID: 71431

methyl 4-hydroxypiperidine-1-carboxylate

$$$$ Data

M. F.

C7H13NO3

Suppliers	Catalog Number
Matrix Scientific	077045
Key Organics	EG-0095
Enamine	EN300-106554

Database	Data ID
PubChem	12654990

M. W.

159.18302

CAS

75250-52-1

Similarity

N/A

ID: 71432

4-(5-methyl-1H-imidazol-4-yl)piperidine dihydrochloride

$$$$ Data

M. F.

C9H17Cl2N3

Suppliers	Catalog Number
Matrix Scientific	077046
Key Organics	SS-4342

Database	Data ID
PubChem	23084308

M. W.

238.15738

CAS

Similarity

N/A

ID: 71433

methyl 4-iodo-1-methyl-1H-pyrrole-2-carboxylate

$$$$ Data

M. F.

C7H8INO2

Suppliers	Catalog Number
Matrix Scientific	077047
Key Organics	EG-0735

Database	Data ID
PubChem	21826247

M. W.

265.04839

CAS

40740-42-9

Similarity

N/A

ID: 71434

methyl (1S,3R)-3-{[(tert-butoxy)carbonyl]amino}cyclopentane-1-carboxylate

$$$$ Data

M. F.

C12H21NO4

Suppliers	Catalog Number
Matrix Scientific	077048

Database	Data ID
PubChem	18453419

M. W.

243.29944

CAS

554451-12-6

Similarity

N/A

ID: 71435

tert-butyl 2,6-diazaspiro[4.5]decane-2-carboxylate

$$$$ Data

M. F.

C13H24N2O2

Suppliers	Catalog Number
Matrix Scientific	077049
Key Organics	GG-0718

Database	Data ID
PubChem	56962155

M. W.

240.34186

CAS

1086394-55-9

Similarity

N/A

ID: 71436

6-[(tert-butyldimethylsilyl)oxy]-1H-indole

$$$$ Data

M. F.

C14H21NOSi

Suppliers	Catalog Number
Matrix Scientific	077050
Key Organics	SS-4348

Database	Data ID
PubChem	22250816

M. W.

247.40814

CAS

106792-41-0

Similarity

N/A

ID: 71437

tert-butyl 4-formyl-2,6-dimethoxyphenyl carbonate

$$$$ Data

M. F.

C14H18O6

Suppliers	Catalog Number
Matrix Scientific	077051
Key Organics	DG-0008

Database	Data ID
PubChem	71299234

M. W.

282.28912

CAS

Similarity

N/A

ID: 71438

tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate

$$$$ Data

M. F.

C10H19NO4

Suppliers	Catalog Number
Matrix Scientific	077052
Bide Pharmatech	BD48707

Database	Data ID
PubChem	1512577

M. W.

217.26216

CAS

135065-76-8

Similarity

N/A

ID: 71439

tert-butyl 3-[methoxy(methyl)carbamoyl]cyclohexane-1-carboxylate

$$$$ Data

M. F.

C14H25NO4

Suppliers	Catalog Number
Matrix Scientific	077053
Key Organics	SS-4345

Database	Data ID
PubChem	71299235

M. W.

271.3526

CAS

Similarity

N/A

ID: 71440

tert-butyl N-(2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)carbamate

$$$$ Data

M. F.

C15H20N2O3

Suppliers	Catalog Number
Matrix Scientific	077054
Key Organics	SS-3682

Database	Data ID
PubChem	13243501

M. W.

276.3309

CAS

86499-69-6

Similarity

N/A

ID: 71441

tert-butyl 2H,4H,5H,6H,7H-pyrazolo[4,3-b]pyridine-4-carboxylate

$$$$ Data

M. F.

C11H17N3O2

Suppliers	Catalog Number
Matrix Scientific	077055
Key Organics	LF-0076

Database	Data ID
PubChem	71299236

M. W.

223.27158

CAS

Similarity

N/A

ID: 71442

5,6-dichloropyridine-2-carboxylic acid

$$$$ Data

M. F.

C6H3Cl2NO2

Suppliers	Catalog Number
Matrix Scientific	077056
Bide Pharmatech	BD215239

Database	Data ID
PubChem	13278016

M. W.

191.99952

CAS

88912-24-7

Similarity

N/A

ID: 71443

[3-bromo-4-(trifluoromethyl)phenyl]methanol

$$$$ Data

M. F.

C8H6BrF3O

Suppliers	Catalog Number
Matrix Scientific	077059

Database	Data ID
PubChem	11391180

M. W.

255.0318496

CAS

372120-54-2

Similarity

N/A

ID: 71444

4-fluoro-1H-pyrazole

$$$$ Data More

M. F.

C3H3FN2

Suppliers	Catalog Number
Matrix Scientific	077061
Chemik	CHH11104
Bide Pharmatech	BD33364

Database	Data ID
PubChem	141992

M. W.

86.0677232

CAS

35277-02-2

Similarity

N/A

ID: 71445

3-(bromomethyl)-1,1-difluorocyclobutane

$$$$ Data

M. F.

C5H7BrF2

Suppliers	Catalog Number
Matrix Scientific	077063

Database	Data ID
PubChem	53416026

M. W.

185.0098864

CAS

1252934-30-7

Similarity

N/A

ID: 71446

2-ethenyl-1,1-difluorocyclopropane

$$$$ Data

M. F.

C5H6F2

Suppliers	Catalog Number
Matrix Scientific	077064
Apollo Scientific	PC1782

Database	Data ID
PubChem	136503

M. W.

104.0979464

CAS

694-34-8

Similarity

N/A

ID: 71447

2,4-dichloropyrimidine-5-carboxamide

$$$$ Data

M. F.

C5H3Cl2N3O

Suppliers	Catalog Number
Matrix Scientific	077065
Bide Pharmatech	BD215188
A&J Pharmtech	AJA-O524

Database	Data ID
PubChem	21223080

M. W.

192.00282

CAS

1240390-28-6

Similarity

N/A

ID: 71448

2,4-dichloro-5-iodopyridine

$$$$ Data

M. F.

C5H2Cl2IN

Suppliers	Catalog Number
Matrix Scientific	077066

Database	Data ID
PubChem	10540233

M. W.

273.88655

CAS

343781-49-7

Similarity

N/A

ID: 71449

1-(2-bromophenyl)-2,2,2-trifluoroethan-1-one

$$$$ Data

M. F.

C8H4BrF3O

Suppliers	Catalog Number
Matrix Scientific	077067
Apollo Scientific	PC49176

Database	Data ID
PubChem	358616

M. W.

253.0159696

CAS

244229-34-3

Similarity

N/A

ID: 71450

3,6-dichloro-4-(trifluoromethyl)pyridazine

$$$$ Data

M. F.

C5HCl2F3N2

Suppliers	Catalog Number
Matrix Scientific	077068

Database	Data ID
PubChem	46847207

M. W.

216.9760496

CAS

1057672-68-0

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