Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C13H19BrO

Suppliers	Catalog Number
Matrix Scientific	020416

Database	Data ID
PubChem	2185341

M. W.

271.19336

CAS

Similarity

N/A

ID: 18302

(4-phenyloxan-4-yl)methanamine

$$$$ Data More

M. F.

C12H17NO

Suppliers	Catalog Number
ChemBridge	4103047
Matrix Scientific	020417
Maybridge	CC69113

Database	Data ID
PubChem	6483779

M. W.

191.26948

CAS

14006-32-7

Similarity

N/A

ID: 18303

2-chloro-N-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)acetamide

$$$$ Data

M. F.

C7H8ClN3O2

Suppliers	Catalog Number
Matrix Scientific	020418

Database	Data ID
PubChem	580357

M. W.

201.61032

CAS

Similarity

N/A

ID: 18304

dichloro-[1,2,5]oxadiazolo[3,4-b]pyrazine

$$$$ Data

M. F.

C4Cl2N4O

Suppliers	Catalog Number
Matrix Scientific	020419

Database	Data ID
PubChem	605330

M. W.

190.975

CAS

Similarity

N/A

ID: 18305

dimethyl[2-(piperidin-4-yl)ethyl]amine

$$$$ Data

M. F.

C9H20N2

Suppliers	Catalog Number
ChemBridge	4087989 4111084
Matrix Scientific	020420
Enamine	EN300-51992

Database	Data ID
PubChem	1415681

M. W.

156.2685

CAS

102308-48-5

Similarity

N/A

ID: 18306

3-(pyridin-2-ylmethoxy)benzaldehyde

$$$$ Data More

M. F.

C13H11NO2

Suppliers	Catalog Number
ChemBridge	4003170
Matrix Scientific	020421
InterBioScreen	BB_SC-4818

Database	Data ID
PubChem	6483805

M. W.

213.23194

CAS

158257-82-0

Similarity

N/A

ID: 18307

7-methylimidazo[1,2-a]pyridine-2-carboxylic acid

$$$$ Data More

M. F.

C9H8N2O2

Suppliers	Catalog Number
ChemBridge	4402938
Matrix Scientific	020424
Key Organics	7W-0867

Database	Data ID
PubChem	1072555

M. W.

176.17202

CAS

80353-94-2

Similarity

N/A

ID: 18308

N-(5-amino-1,2,4-thiadiazol-3-yl)acetamide

$$$$ Data

M. F.

C4H6N4OS

Suppliers	Catalog Number
Matrix Scientific	020425

Database	Data ID
PubChem	6483821

M. W.

158.18164

CAS

Similarity

N/A

ID: 18309

2-(3,5-dimethyl-1H-pyrazol-1-yl)-3-methylbutanoic acid

$$$$ Data

M. F.

C10H16N2O2

Suppliers	Catalog Number
Matrix Scientific	020426
Enamine	EN300-92562

Database	Data ID
PubChem	6483822

M. W.

196.24624

CAS

Similarity

N/A

ID: 18310

methyl 4-(chlorosulfonyl)benzoate

$$$$ Data More

M. F.

C8H7ClO4S

Suppliers	Catalog Number
ChemBridge	4040555
Matrix Scientific	020427
Life Chemicals	F2158-1064

Database	Data ID
PubChem	4738388

M. W.

234.65678

CAS

69812-51-7

Similarity

N/A

ID: 18311

methyl 3-(chlorosulfonyl)benzoate

$$$$ Data More

M. F.

C8H7ClO4S

Suppliers	Catalog Number
Matrix Scientific	020428
Apollo Scientific	OR3564
Enamine	EN300-27164

Database	Data ID
PubChem	113339

M. W.

234.65678

CAS

63555-50-0

Similarity

N/A

ID: 18312

1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethan-1-amine

$$$$ Data

M. F.

C11H15NO2

Suppliers	Catalog Number
ChemBridge	4013148
Matrix Scientific	020429

Database	Data ID
PubChem	6483838

M. W.

193.2423

CAS

876709-21-6

Similarity

N/A

ID: 18313

2-(4-methyl-1,2,5-oxadiazol-3-yl)acetic acid

$$$$ Data

M. F.

C5H6N2O3

Suppliers	Catalog Number
ChemBridge	4010224
Matrix Scientific	020430
InterBioScreen	BB_SC-4456

Database	Data ID
PubChem	1084925

M. W.

142.11274

CAS

15323-69-0

Similarity

N/A

ID: 18314

methyl 2-(2-amino-1,3-thiazol-5-yl)acetate

$$$$ Data

M. F.

C6H8N2O2S

Suppliers	Catalog Number
Matrix Scientific	020432

Database	Data ID
PubChem	963498

M. W.

172.20492

CAS

110295-93-7

Similarity

N/A

ID: 18315

methyl 2-[2-(2-chloroacetamido)-1,3-thiazol-5-yl]acetate

$$$$ Data

M. F.

C8H9ClN2O3S

Suppliers	Catalog Number
ChemBridge	9071203
Matrix Scientific	020433

Database	Data ID
PubChem	963499

M. W.

248.68666

CAS

869951-10-0

Similarity

N/A

ID: 18316

N-[4-(chloromethyl)-1,3-thiazol-2-yl]acetamide

$$$$ Data More

M. F.

C6H7ClN2OS

Suppliers	Catalog Number
Matrix Scientific	020434
Apollo Scientific	OR15549
Life Chemicals	F2158-0358

Database	Data ID
PubChem	81963

M. W.

190.65058

CAS

7460-59-5

Similarity

N/A

ID: 18317

5-amino-2,2-dimethylpentan-1-ol

$$$$ Data More

M. F.

C7H17NO

Suppliers	Catalog Number
Sigma Aldrich	636266
MP Biomedicals	05224438
Matrix Scientific	020435

Database	Data ID
PubChem	139489

M. W.

131.21598

CAS

13532-77-9

Similarity

N/A

ID: 18318

1-(2,3-dihydro-1H-indol-5-yl)ethan-1-one

$$$$ Data

M. F.

C10H11NO

Suppliers	Catalog Number
ChemBridge	4028286
Matrix Scientific	020436
InterBioScreen	BB_SC-5893

Database	Data ID
PubChem	253117

M. W.

161.20044

CAS

16078-34-5

Similarity

N/A

ID: 18319

2-(propan-2-yloxy)ethan-1-amine

$$$$ Data

M. F.

C5H13NO

Suppliers	Catalog Number
Matrix Scientific	020438

Database	Data ID
PubChem	533866

M. W.

103.16282

CAS

81731-43-3

Similarity

N/A

ID: 18320

2-chloro-1-(4-hydroxy-3,5-dimethylphenyl)ethan-1-one

$$$$ Data

M. F.

C10H11ClO2

Suppliers	Catalog Number
Matrix Scientific	020439
Key Organics	7J-328S

Database	Data ID
PubChem	2764246

M. W.

198.64614

CAS

40943-25-7

Similarity

N/A

ID: 18321

6-chloro-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid

$$$$ Data

M. F.

C9H7ClN2O2

Suppliers	Catalog Number
ChemBridge	4032314
Matrix Scientific	020440
Apollo Scientific	OR4874

Database	Data ID
PubChem	6483864

M. W.

210.61708

CAS

138642-96-3

Similarity

N/A

ID: 18322

4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-amine

$$$$ Data

M. F.

C12H14N2OS

Suppliers	Catalog Number
Matrix Scientific	020441

Database	Data ID
PubChem	4556456

M. W.

234.31736

CAS

Similarity

N/A

ID: 18323

7-amino-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid

$$$$ Data

M. F.

C8H8N4O2

Suppliers	Catalog Number
ChemBridge	4043558
Matrix Scientific	020442
Key Organics	1T-0007

Database	Data ID
PubChem	1491577

M. W.

192.17472

CAS

2627-59-0

Similarity

N/A

ID: 18324

4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-amine

$$$$ Data

M. F.

C9H10N2S2

Suppliers	Catalog Number
Matrix Scientific	020443
Enamine	EN300-13281

Database	Data ID
PubChem	2758663

M. W.

210.3191

CAS

436152-83-9

Similarity

N/A

ID: 18325

4-(pyrimidin-2-yloxy)benzoic acid

$$$$ Data

M. F.

C11H8N2O3

Suppliers	Catalog Number
Matrix Scientific	020444
Key Organics	1W-0313

Database	Data ID
PubChem	2763568

M. W.

216.19282

CAS

855423-33-5

Similarity

N/A

ID: 18326

4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]benzoic acid hydrochloride

$$$$ Data

M. F.

C13H15ClN2O2

Suppliers	Catalog Number
Matrix Scientific	020445

Database	Data ID
PubChem	46735534

M. W.

266.7234

CAS

Similarity

N/A

ID: 18327

1-[2-(piperidin-2-yl)ethyl]pyrrolidin-2-one

$$$$ Data

M. F.

C11H20N2O

Suppliers	Catalog Number
ChemBridge	4011140
Matrix Scientific	020447

Database	Data ID
PubChem	4712021

M. W.

196.2893

CAS

876710-79-1

Similarity

N/A

ID: 18328

pyrrolidine-1-sulfonyl chloride

$$$$ Data More

M. F.

C4H8ClNO2S

Suppliers	Catalog Number
ChemBridge	4014372
Matrix Scientific	020448
InterBioScreen	BB_SC-9961

Database	Data ID
PubChem	6483902

M. W.

169.62982

CAS

1689-02-7

Similarity

N/A

ID: 18329

3-(4-ethoxyphenyl)-1H-pyrazole-4-carbaldehyde

$$$$ Data

M. F.

C12H12N2O2

Suppliers	Catalog Number
Matrix Scientific	020449

Database	Data ID
PubChem	6484102

M. W.

216.23588

CAS

Similarity

N/A

ID: 18330

3-aminopiperidin-2-one hydrochloride

$$$$ Data

M. F.

C5H11ClN2O

Suppliers	Catalog Number
Matrix Scientific	020450
Enamine	EN300-61136

Database	Data ID
PubChem	19795138

M. W.

150.60664

CAS

1892-22-4

Similarity

N/A

ID: 18331

(3-benzyl-1,2,4-oxadiazol-5-yl)methanamine

$$$$ Data More

M. F.

C10H11N3O

Suppliers	Catalog Number
ChemBridge	4002480
Matrix Scientific	020451
InterBioScreen	BB_SC-7495

Database	Data ID
PubChem	6484110

M. W.

189.21384

CAS

876715-43-4

Similarity

N/A

ID: 18332

1-(pyridin-3-ylmethyl)-1H-pyrrole-2-carbaldehyde

$$$$ Data

M. F.

C11H10N2O

Suppliers	Catalog Number
ChemBridge	4003262
Matrix Scientific	020452
InterBioScreen	BB_SC-5716

Database	Data ID
PubChem	2772327

M. W.

186.2099

CAS

186801-36-5

Similarity

N/A

ID: 18333

4-methyl-3-(1H-pyrazol-1-yl)benzoic acid

$$$$ Data

M. F.

C11H10N2O2

Suppliers	Catalog Number
Matrix Scientific	020453

Database	Data ID
PubChem	6484128

M. W.

202.2093

CAS

Similarity

N/A

ID: 18334

2-(oxolan-2-yl)acetic acid

$$$$ Data

M. F.

C6H10O3

Suppliers	Catalog Number
Matrix Scientific	020454
Enamine	EN300-40446

Database	Data ID
PubChem	228726

M. W.

130.1418

CAS

2434-00-6

Similarity

N/A

ID: 18335

diethyl[2-(piperidin-2-yl)ethyl]amine

$$$$ Data

M. F.

C11H24N2

Suppliers	Catalog Number
Matrix Scientific	020455

Database	Data ID
PubChem	6484179

M. W.

184.32166

CAS

Similarity

N/A

ID: 18336

1-(propan-2-yl)piperidine-4-carboxylic acid

$$$$ Data More

M. F.

C9H17NO2

Suppliers	Catalog Number
ChemBridge	4011295
Matrix Scientific	020456
Enamine	EN300-35471

Database	Data ID
PubChem	6484187

M. W.

171.23678

CAS

280771-97-3

Similarity

N/A

ID: 18337

2-[2-(propan-2-yl)-1H-imidazol-1-yl]acetic acid

$$$$ Data

M. F.

C8H12N2O2

Suppliers	Catalog Number
Matrix Scientific	020457

Database	Data ID
PubChem	6484200

M. W.

168.19308

CAS

Similarity

N/A

ID: 18338

N-ethyl-1-methylpiperidin-4-amine

$$$$ Data

M. F.

C8H18N2

Suppliers	Catalog Number
Matrix Scientific	020458

Database	Data ID
PubChem	6484216

M. W.

142.24192

CAS

Similarity

N/A

ID: 18339

1-(4-fluorophenyl)cyclopropane-1-carboxylic acid

$$$$ Data More

M. F.

C10H9FO2

Suppliers	Catalog Number
ChemBridge	4014601
Matrix Scientific	020459
Enamine	EN300-30404

Database	Data ID
PubChem	6484220

M. W.

180.1756632

CAS

773100-29-1

Similarity

N/A

ID: 18340

1-(3-fluorophenyl)cyclopropane-1-carboxylic acid

$$$$ Data

M. F.

C10H9FO2

Suppliers	Catalog Number
Matrix Scientific	020460
Enamine	EN300-78358
A&J Pharmtech	AJA-O13265

Database	Data ID
PubChem	6484221

M. W.

180.1756632

CAS

248588-33-2

Similarity

N/A

ID: 18341

1-(morpholin-4-ylmethyl)cyclohexan-1-amine

$$$$ Data

M. F.

C11H22N2O

Suppliers	Catalog Number
ChemBridge	4014894
Matrix Scientific	020461

Database	Data ID
PubChem	6484225

M. W.

198.30518

CAS

883545-37-7

Similarity

N/A

ID: 18342

[(2-chloro-6-fluorophenyl)methyl]hydrazine

$$$$ Data

M. F.

C7H8ClFN2

Suppliers	Catalog Number
ChemBridge	4015029
Matrix Scientific	020462

Database	Data ID
PubChem	6484230

M. W.

174.6032232

CAS

883546-66-5

Similarity

N/A

ID: 18343

N-[(trimethyl-1H-pyrazol-4-yl)methyl]cyclopropanamine

$$$$ Data

M. F.

C10H17N3

Suppliers	Catalog Number
ChemBridge	4102533
Matrix Scientific	020464

Database	Data ID
PubChem	6484256

M. W.

179.26208

CAS

880361-70-6

Similarity

N/A

ID: 18344

3-{10,13-dioxa-4,6-diazatricyclo[7.4.0.0^{3,7}]trideca-1(9),2,4,7-tetraen-5-yl}p...

$$$$ Data

M. F.

C12H12N2O4

Suppliers	Catalog Number
Matrix Scientific	020465

Database	Data ID
PubChem	6484257

M. W.

248.23468

CAS

Similarity

N/A

ID: 18345

5-ethoxy-1,2-dimethyl-1H-indole-3-carboxylic acid

$$$$ Data

M. F.

C13H15NO3

Suppliers	Catalog Number
Matrix Scientific	020467

Database	Data ID
PubChem	685696

M. W.

233.2631

CAS

Similarity

N/A

ID: 18346

3-acetamidoadamantane-1-carboxylic acid

$$$$ Data

M. F.

C13H19NO3

Suppliers	Catalog Number
Matrix Scientific	020468
Life Chemicals	F0035-0012
Enamine	EN300-06585

Database	Data ID
PubChem	2769714

M. W.

237.29486

CAS

6240-00-2

Similarity

N/A

ID: 18347

2-chloro-1-(2,4-dihydroxyphenyl)ethan-1-one

$$$$ Data More

M. F.

C8H7ClO3

Suppliers	Catalog Number
Matrix Scientific	020470
Apollo Scientific	OR30700
InterBioScreen	BB_SC-5956

Database	Data ID
PubChem	2384686

M. W.

186.59238

CAS

25015-92-3

Similarity

N/A

ID: 18348

ethyl 3-oxo-3-(pyridin-3-yl)propanoate

$$$$ Data

M. F.

C10H11NO3

Suppliers	Catalog Number
ChemBridge	3020350
Matrix Scientific	020471
A&J Pharmtech	AJA-O3130

Database	Data ID
PubChem	222197

M. W.

193.19924

CAS

6283-81-4

Similarity

N/A

ID: 18349

3-ethylpiperazin-2-one

$$$$ Data More

M. F.

C6H12N2O

Suppliers	Catalog Number
ChemBridge	4004453
Matrix Scientific	020472
Enamine	EN300-67439

Database	Data ID
PubChem	4712457

M. W.

128.17228

CAS

90485-52-2

Similarity

N/A

ID: 18350

4-(cyclopentyloxy)aniline

$$$$ Data

M. F.

C11H15NO

Suppliers	Catalog Number
ChemBridge	4010414
Matrix Scientific	020473
Enamine	EN300-41635

Database	Data ID
PubChem	6484448

M. W.

177.2429

CAS

26455-36-7

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