Chembase list of 866358 unique molecular structures

3-ethyl-1,2,4-oxadiazole-5-carboxylic acid

$$$$ Data

M. F.

C5H6N2O3

Suppliers	Catalog Number
Matrix Scientific	036347
A&J Pharmtech	AJA-O21542

Database	Data ID
PubChem	25219300

M. W.

142.11274

CAS

944906-35-8

Similarity

N/A

ID: 33602

2-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}acetic acid hydrochloride

$$$$ Data

M. F.

C8H16ClNO2S

Suppliers	Catalog Number
Matrix Scientific	036348

Database	Data ID
PubChem	46736928

M. W.

225.73614

CAS

Similarity

N/A

ID: 33603

2-(1H-imidazol-2-yl)benzoic acid

$$$$ Data

M. F.

C10H8N2O2

Suppliers	Catalog Number
ChemBridge	4002463
Matrix Scientific	036349

Database	Data ID
PubChem	16767379

M. W.

188.18272

CAS

67792-82-9

Similarity

N/A

ID: 33604

2-(1-methyl-1H-imidazol-2-yl)benzoic acid

$$$$ Data

M. F.

C11H10N2O2

Suppliers	Catalog Number
ChemBridge	4013165
Matrix Scientific	036350

Database	Data ID
PubChem	18399961

M. W.

202.2093

CAS

915922-05-3

Similarity

N/A

ID: 33605

3-methyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid

$$$$ Data

M. F.

C8H7N3O2

Suppliers	Catalog Number
Matrix Scientific	036351

Database	Data ID
PubChem	16767501

M. W.

177.16008

CAS

Similarity

N/A

ID: 33606

3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

$$$$ Data

M. F.

C14H11N3O3

Suppliers	Catalog Number
Matrix Scientific	036352

Database	Data ID
PubChem	25219302

M. W.

269.25544

CAS

Similarity

N/A

ID: 33607

3-(phenoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

$$$$ Data

M. F.

C14H11N3O3

Suppliers	Catalog Number
Matrix Scientific	036353

Database	Data ID
PubChem	25219303

M. W.

269.25544

CAS

Similarity

N/A

ID: 33608

3-(2,2-dimethylpropanamido)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid

$$$$ Data

M. F.

C12H14N4O3

Suppliers	Catalog Number
Matrix Scientific	036354

Database	Data ID
PubChem	25219304

M. W.

262.26456

CAS

Similarity

N/A

ID: 33609

(1S,2R,4S)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid

$$$$ Data

M. F.

C9H10O4

Suppliers	Catalog Number
ChemBridge	3005178
Matrix Scientific	036355

Database	Data ID
PubChem	25219305

M. W.

182.1733

CAS

3853-88-1

Similarity

N/A

ID: 33610

(1S,7R,9S)-5-oxo-4-azatricyclo[4.2.1.0^{3,7}]non-2-ene-9-carboxylic acid

$$$$ Data

M. F.

C9H9NO3

Suppliers	Catalog Number
Matrix Scientific	036356

Database	Data ID
PubChem	25219307

M. W.

179.17266

CAS

Similarity

N/A

ID: 33611

ethyl 2-(2-ethyl-1,3-thiazol-4-yl)acetate

$$$$ Data

M. F.

C9H13NO2S

Suppliers	Catalog Number
Matrix Scientific	036357

Database	Data ID
PubChem	23033529

M. W.

199.27002

CAS

Similarity

N/A

ID: 33612

ethyl 2-(3-nitro-1H-1,2,4-triazol-1-yl)acetate

$$$$ Data

M. F.

C6H8N4O4

Suppliers	Catalog Number
Matrix Scientific	036358

Database	Data ID
PubChem	1276711

M. W.

200.15212

CAS

Similarity

N/A

ID: 33613

3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazole-5-carboxyl...

$$$$ Data

M. F.

C7H6N4O3S2

Suppliers	Catalog Number
Matrix Scientific	036359

Database	Data ID
PubChem	25219308

M. W.

258.27754

CAS

Similarity

N/A

ID: 33614

methyl bicyclo[4.1.0]heptane-7-carboxylate

$$$$ Data

M. F.

C9H14O2

Suppliers	Catalog Number
Matrix Scientific	036360
Enamine	EN300-95079

Database	Data ID
PubChem	534051

M. W.

154.20626

CAS

36744-59-9

Similarity

N/A

ID: 33615

2-({[5-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-3-yl]methyl}sulfanyl)acetic acid

$$$$ Data

M. F.

C9H11N3O4S

Suppliers	Catalog Number
Matrix Scientific	036361

Database	Data ID
PubChem	25219309

M. W.

257.26634

CAS

Similarity

N/A

ID: 33616

2-({[5-(dimethylcarbamoyl)-1,2,4-oxadiazol-3-yl]methyl}sulfanyl)acetic acid

$$$$ Data

M. F.

C8H11N3O4S

Suppliers	Catalog Number
Matrix Scientific	036362

Database	Data ID
PubChem	25219310

M. W.

245.25564

CAS

Similarity

N/A

ID: 33617

2-({[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]methyl}sulfanyl)acetic acid

$$$$ Data

M. F.

C12H17N3O4S

Suppliers	Catalog Number
Matrix Scientific	036363

Database	Data ID
PubChem	25219311

M. W.

299.34608

CAS

Similarity

N/A

ID: 33618

2-{[(5-{[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]carbamoyl}-1,2,4-oxadiazol-3-yl)me...

$$$$ Data

M. F.

C12H15N5O4S

Suppliers	Catalog Number
Matrix Scientific	036364

Database	Data ID
PubChem	25219312

M. W.

325.3436

CAS

Similarity

N/A

ID: 33619

2-[({5-[(3-methylbutyl)carbamoyl]-1,2,4-oxadiazol-3-yl}methyl)sulfanyl]acetic ac...

$$$$ Data

M. F.

C11H17N3O4S

Suppliers	Catalog Number
Matrix Scientific	036365

Database	Data ID
PubChem	25219313

M. W.

287.33538

CAS

Similarity

N/A

ID: 33620

3-({[5-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-3-yl]methyl}sulfanyl)propanoic aci...

$$$$ Data

M. F.

C10H13N3O4S

Suppliers	Catalog Number
Matrix Scientific	036366

Database	Data ID
PubChem	25219314

M. W.

271.29292

CAS

Similarity

N/A

ID: 33621

3-({[5-(methylcarbamoyl)-1,2,4-oxadiazol-3-yl]methyl}sulfanyl)propanoic acid

$$$$ Data

M. F.

C8H11N3O4S

Suppliers	Catalog Number
Matrix Scientific	036367

Database	Data ID
PubChem	25219315

M. W.

245.25564

CAS

Similarity

N/A

ID: 33622

3-({[5-(azepane-1-carbonyl)-1,2,4-oxadiazol-3-yl]methyl}sulfanyl)propanoic acid

$$$$ Data

M. F.

C13H19N3O4S

Suppliers	Catalog Number
Matrix Scientific	036368

Database	Data ID
PubChem	25219316

M. W.

313.37266

CAS

Similarity

N/A

ID: 33623

3-[({5-[(3-methylbutyl)carbamoyl]-1,2,4-oxadiazol-3-yl}methyl)sulfanyl]propanoic...

$$$$ Data

M. F.

C12H19N3O4S

Suppliers	Catalog Number
Matrix Scientific	036369

Database	Data ID
PubChem	25219317

M. W.

301.36196

CAS

Similarity

N/A

ID: 33624

1-(dimethylamino)cyclohexane-1-carbonitrile

$$$$ Data

M. F.

C9H16N2

Suppliers	Catalog Number
ChemBridge	3002091
Matrix Scientific	036370

Database	Data ID
PubChem	101188

M. W.

152.23674

CAS

16499-30-2

Similarity

N/A

ID: 33625

1-(diethylamino)cyclohexane-1-carboxamide

$$$$ Data

M. F.

C11H22N2O

Suppliers	Catalog Number
Matrix Scientific	036372

Database	Data ID
PubChem	16762798

M. W.

198.30518

CAS

Similarity

N/A

ID: 33626

tert-butyl 4-cyano-4-(pyrrolidin-1-yl)piperidine-1-carboxylate

$$$$ Data

M. F.

C15H25N3O2

Suppliers	Catalog Number
ChemBridge	3002719
Matrix Scientific	036373

Database	Data ID
PubChem	25219318

M. W.

279.3779

CAS

1119452-74-2

Similarity

N/A

ID: 33627

1-acetyl-4-(pyrrolidin-1-yl)piperidine-4-carbonitrile

$$$$ Data

M. F.

C12H19N3O

Suppliers	Catalog Number
ChemBridge	3002298
Matrix Scientific	036374

Database	Data ID
PubChem	24276799

M. W.

221.29876

CAS

1017468-05-1

Similarity

N/A

ID: 33628

1-benzyl-4-(pyrrolidin-1-yl)piperidine-4-carbonitrile

$$$$ Data

M. F.

C17H23N3

Suppliers	Catalog Number
Matrix Scientific	036375

Database	Data ID
PubChem	25219319

M. W.

269.38462

CAS

Similarity

N/A

ID: 33629

1-(piperidin-1-yl)cyclopentane-1-carbonitrile

$$$$ Data

M. F.

C11H18N2

Suppliers	Catalog Number
ChemBridge	3001828
Matrix Scientific	036376

Database	Data ID
PubChem	21678970

M. W.

178.27402

CAS

22912-32-9

Similarity

N/A

ID: 33630

1-(morpholin-4-yl)cyclopentane-1-carbonitrile

$$$$ Data

M. F.

C10H16N2O

Suppliers	Catalog Number
Matrix Scientific	036377
Life Chemicals	F2189-0001

Database	Data ID
PubChem	16644595

M. W.

180.24684

CAS

62317-19-5

Similarity

N/A

ID: 33631

2-(azepan-1-yl)-2-cyclopentylacetonitrile

$$$$ Data

M. F.

C13H22N2

Suppliers	Catalog Number
ChemBridge	3002533
Matrix Scientific	036378

Database	Data ID
PubChem	25219320

M. W.

206.32718

CAS

1119449-72-7

Similarity

N/A

ID: 33632

2-(azepan-1-yl)-2-phenylacetonitrile

$$$$ Data

M. F.

C14H18N2

Suppliers	Catalog Number
ChemBridge	3005267
Matrix Scientific	036379

Database	Data ID
PubChem	25219321

M. W.

214.30612

CAS

17766-41-5

Similarity

N/A

ID: 33633

2-(4-fluorophenyl)-2-(piperidin-1-yl)acetamide

$$$$ Data

M. F.

C13H17FN2O

Suppliers	Catalog Number
Matrix Scientific	036380

Database	Data ID
PubChem	25219322

M. W.

236.2852832

CAS

Similarity

N/A

ID: 33634

2-(morpholin-4-yl)-2-(pyridin-2-yl)acetamide

$$$$ Data

M. F.

C11H15N3O2

Suppliers	Catalog Number
Matrix Scientific	036381

Database	Data ID
PubChem	5108072

M. W.

221.2557

CAS

Similarity

N/A

ID: 33635

2-(morpholin-4-yl)-2-(pyridin-4-yl)acetamide

$$$$ Data

M. F.

C11H15N3O2

Suppliers	Catalog Number
Matrix Scientific	036382

Database	Data ID
PubChem	25219323

M. W.

221.2557

CAS

Similarity

N/A

ID: 33636

2-(piperidin-1-yl)-2-(pyridin-2-yl)acetonitrile

$$$$ Data

M. F.

C12H15N3

Suppliers	Catalog Number
Matrix Scientific	036383

Database	Data ID
PubChem	21540387

M. W.

201.2676

CAS

Similarity

N/A

ID: 33637

2-(morpholin-4-yl)-2-(pyridin-3-yl)acetonitrile

$$$$ Data

M. F.

C11H13N3O

Suppliers	Catalog Number
Matrix Scientific	036384
Enamine	EN300-111046

Database	Data ID
PubChem	303572

M. W.

203.24042

CAS

36740-09-7

Similarity

N/A

ID: 33638

2-(morpholin-4-yl)-2-phenylacetonitrile

$$$$ Data More

M. F.

C12H14N2O

Suppliers	Catalog Number
Alfa Aesar	L12370
Matrix Scientific	036385
Maybridge	XBX00113

Database	Data ID
PubChem	85812

M. W.

202.25236

CAS

15190-10-0

Similarity

N/A

ID: 33639

2-(3-nitrophenyl)-2-(pyrrolidin-1-yl)acetonitrile

$$$$ Data

M. F.

C12H13N3O2

Suppliers	Catalog Number
Matrix Scientific	036386

Database	Data ID
PubChem	13352464

M. W.

231.25052

CAS

Similarity

N/A

ID: 33640

methyl 3-[(Z)-N'-hydroxycarbamimidoyl]-4-methoxybenzoate

$$$$ Data

M. F.

C10H12N2O4

Suppliers	Catalog Number
Matrix Scientific	036387

Database	Data ID
PubChem	25219324

M. W.

224.21328

CAS

Similarity

N/A

ID: 33641

3-(4-nitro-1H-pyrazol-1-yl)propanoic acid

$$$$ Data

M. F.

C6H7N3O4

Suppliers	Catalog Number
Matrix Scientific	036388
Enamine	EN300-52701

Database	Data ID
PubChem	1229867

M. W.

185.13748

CAS

Similarity

N/A

ID: 33642

3-(4-chloro-1H-pyrazol-1-yl)propanoic acid

$$$$ Data More

M. F.

C6H7ClN2O2

Suppliers	Catalog Number
ChemBridge	4033530
Matrix Scientific	036389
Life Chemicals	F2169-0808

Database	Data ID
PubChem	7018451

M. W.

174.58498

CAS

913839-78-8

Similarity

N/A

ID: 33643

3-(3-nitro-1H-pyrazol-1-yl)propanoic acid

$$$$ Data

M. F.

C6H7N3O4

Suppliers	Catalog Number
Matrix Scientific	036390
Enamine	EN300-83581

Database	Data ID
PubChem	7018453

M. W.

185.13748

CAS

Similarity

N/A

ID: 33644

methyl 5-(bromomethyl)thiophene-2-carboxylate

$$$$ Data

M. F.

C7H7BrO2S

Suppliers	Catalog Number
Matrix Scientific	036391
Enamine	EN300-70594

Database	Data ID
PubChem	11424851

M. W.

235.09828

CAS

108499-32-7

Similarity

N/A

ID: 33645

methyl 4-(chloromethyl)thiophene-2-carboxylate

$$$$ Data

M. F.

C7H7ClO2S

Suppliers	Catalog Number
Matrix Scientific	036392
InterBioScreen	BB_SC-3951
Bide Pharmatech	BD181361

Database	Data ID
PubChem	7174225

M. W.

190.64728

CAS

34767-85-6

Similarity

N/A

ID: 33646

1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid

$$$$ Data More

M. F.

C10H11NO4

Suppliers	Catalog Number
ChemBridge	3002808
Matrix Scientific	036393
Apollo Scientific	OR24058

Database	Data ID
PubChem	2777280

M. W.

209.19864

CAS

175136-93-3

Similarity

N/A

ID: 33647

4-(4-methoxyphenoxymethyl)-5-methyl-1,2-oxazole-3-carboxylic acid

$$$$ Data

M. F.

C13H13NO5

Suppliers	Catalog Number
Matrix Scientific	036394

Database	Data ID
PubChem	19623166

M. W.

263.24602

CAS

Similarity

N/A

ID: 33648

4-(3-methoxyphenoxymethyl)-5-methyl-1,2-oxazole-3-carboxylic acid

$$$$ Data

M. F.

C13H13NO5

Suppliers	Catalog Number
Matrix Scientific	036395

Database	Data ID
PubChem	8027589

M. W.

263.24602

CAS

Similarity

N/A

ID: 33649

4-(2-methoxyphenoxymethyl)-5-methyl-1,2-oxazole-3-carboxylic acid

$$$$ Data

M. F.

C13H13NO5

Suppliers	Catalog Number
Matrix Scientific	036396

Database	Data ID
PubChem	24225682

M. W.

263.24602

CAS

Similarity

N/A

ID: 33650

2-(dimethyl-1,2-oxazol-4-yl)acetamide

$$$$ Data

M. F.

C7H10N2O2

Suppliers	Catalog Number
Matrix Scientific	036397

Database	Data ID
PubChem	23006366

M. W.

154.1665

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