Chembase list of 866358 unique molecular structures

1-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]piperazine

$$$$ Data

M. F.

C11H17N3S

Suppliers	Catalog Number
Life Chemicals	F2158-0457

Database	Data ID
PubChem	33679614

M. W.

223.33778

CAS

Similarity

N/A

ID: 117452

tert-butyl 4-(2-cyanoethyl)piperazine-1-carboxylate

$$$$ Data

M. F.

C12H21N3O2

Suppliers	Catalog Number
Life Chemicals	F2158-0458

Database	Data ID
PubChem	33679615

M. W.

239.31404

CAS

Similarity

N/A

ID: 117453

tert-butyl 4-{2-[(Z)-N'-hydroxycarbamimidoyl]ethyl}piperazine-1-carboxylate

$$$$ Data

M. F.

C12H24N4O3

Suppliers	Catalog Number
Life Chemicals	F2158-0459

Database	Data ID
PubChem	44116818

M. W.

272.34396

CAS

Similarity

N/A

ID: 117454

tert-butyl 4-{[(Z)-N'-hydroxycarbamimidoyl]methyl}piperazine-1-carboxylate

$$$$ Data

M. F.

C11H22N4O3

Suppliers	Catalog Number
Life Chemicals	F2158-0460

Database	Data ID
PubChem	44116819

M. W.

258.31738

CAS

Similarity

N/A

ID: 117455

(Z)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxyethenimidamide

$$$$ Data

M. F.

C12H17FN4O

Suppliers	Catalog Number
Life Chemicals	F2158-0461

Database	Data ID
PubChem	24698074

M. W.

252.2879832

CAS

Similarity

N/A

ID: 117456

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

$$$$ Data

M. F.

C13H13N3O3S

Suppliers	Catalog Number
Life Chemicals	F2158-0473

Database	Data ID
PubChem	33679636

M. W.

291.32562

CAS

Similarity

N/A

ID: 117457

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

$$$$ Data

M. F.

C13H12ClN3O3S

Suppliers	Catalog Number
Life Chemicals	F2158-0474

Database	Data ID
PubChem	33679640

M. W.

325.77068

CAS

Similarity

N/A

ID: 117458

3-(2-{[(4-methoxyphenyl)carbamoyl]amino}-1,3-thiazol-4-yl)propanoic acid

$$$$ Data

M. F.

C14H15N3O4S

Suppliers	Catalog Number
Life Chemicals	F2158-0475

Database	Data ID
PubChem	33679645

M. W.

321.3516

CAS

Similarity

N/A

ID: 117459

3-[2-(4-chlorobenzamido)-1,3-thiazol-4-yl]propanoic acid

$$$$ Data

M. F.

C13H11ClN2O3S

Suppliers	Catalog Number
Life Chemicals	F2158-0476

Database	Data ID
PubChem	33679648

M. W.

310.75604

CAS

Similarity

N/A

ID: 117460

3-[2-(4-methylbenzenesulfonamido)-1,3-thiazol-4-yl]propanoic acid

$$$$ Data

M. F.

C13H14N2O4S2

Suppliers	Catalog Number
Life Chemicals	F2158-0477

Database	Data ID
PubChem	33679653

M. W.

326.39126

CAS

Similarity

N/A

ID: 117461

3-[2-(4-fluorobenzenesulfonamido)-1,3-thiazol-4-yl]propanoic acid

$$$$ Data

M. F.

C12H11FN2O4S2

Suppliers	Catalog Number
Life Chemicals	F2158-0478

Database	Data ID
PubChem	33679657

M. W.

330.3551432

CAS

Similarity

N/A

ID: 117462

3-[2-(4-methoxybenzenesulfonamido)-1,3-thiazol-4-yl]propanoic acid

$$$$ Data

M. F.

C13H14N2O5S2

Suppliers	Catalog Number
Life Chemicals	F2158-0479

Database	Data ID
PubChem	33679661

M. W.

342.39066

CAS

Similarity

N/A

ID: 117463

3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propanoic acid

$$$$ Data

M. F.

C14H11ClN2O2S

Suppliers	Catalog Number
Life Chemicals	F2158-0480

Database	Data ID
PubChem	33679665

M. W.

306.76734

CAS

Similarity

N/A

ID: 117464

2-{2-[(2-oxo-2-phenylethyl)sulfanyl]-1,3-thiazol-4-yl}acetic acid

$$$$ Data

M. F.

C13H11NO3S2

Suppliers	Catalog Number
Life Chemicals	F2158-0481

Database	Data ID
PubChem	33679669

M. W.

293.36134

CAS

Similarity

N/A

ID: 117465

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

$$$$ Data

M. F.

C13H10FNO3S2

Suppliers	Catalog Number
Life Chemicals	F2158-0482

Database	Data ID
PubChem	33679674

M. W.

311.3518032

CAS

Similarity

N/A

ID: 117466

5-methoxy-5-oxo-2-[(4-phenylphenyl)formamido]pentanoic acid

$$$$ Data

M. F.

C19H19NO5

Suppliers	Catalog Number
Life Chemicals	F2158-0484

Database	Data ID
PubChem	45496562

M. W.

341.35786

CAS

Similarity

N/A

ID: 117467

methyl 3-[2-(thiophene-2-amido)-1,3-thiazol-4-yl]propanoate

$$$$ Data

M. F.

C12H12N2O3S2

Suppliers	Catalog Number
Life Chemicals	F2158-0489

Database	Data ID
PubChem	33679691

M. W.

296.36528

CAS

Similarity

N/A

ID: 117468

3-(2-amino-1,3-thiazol-4-yl)-N-methylpropanamide

$$$$ Data

M. F.

C7H11N3OS

Suppliers	Catalog Number
Life Chemicals	F2158-0491

Database	Data ID
PubChem	33679694

M. W.

185.24674

CAS

Similarity

N/A

ID: 117469

3-(2-amino-1,3-thiazol-4-yl)-N-ethylpropanamide

$$$$ Data

M. F.

C8H13N3OS

Suppliers	Catalog Number
Life Chemicals	F2158-0492

Database	Data ID
PubChem	33679697

M. W.

199.27332

CAS

Similarity

N/A

ID: 117470

1,3-benzothiazole-2-carboxylate

$$$$ Data

M. F.

C8H4NO2S-

Suppliers	Catalog Number
Life Chemicals	F2158-0561

Database	Data ID
PubChem	5009986

M. W.

178.18786

CAS

Similarity

N/A

ID: 117471

3-(propan-2-ylsulfanyl)-1,2,4-thiadiazol-5-amine

$$$$ Data

M. F.

C5H9N3S2

Suppliers	Catalog Number
Life Chemicals	F2158-0563

Database	Data ID
PubChem	16637271

M. W.

175.27506

CAS

Similarity

N/A

ID: 117472

3-[(4-methylphenyl)methanesulfonyl]-1,2,4-thiadiazol-5-amine

$$$$ Data

M. F.

C10H11N3O2S2

Suppliers	Catalog Number
Life Chemicals	F2158-0564

Database	Data ID
PubChem	16637461

M. W.

269.34324

CAS

Similarity

N/A

ID: 117473

3-phenylmethanesulfonyl-1,2,4-thiadiazol-5-amine

$$$$ Data

M. F.

C9H9N3O2S2

Suppliers	Catalog Number
Life Chemicals	F2158-0567

Database	Data ID
PubChem	11988251

M. W.

255.31666

CAS

Similarity

N/A

ID: 117474

3-[5-amino-3-(4-methoxyphenyl)-1H-pyrazol-1-yl]-1λ⁶-thiolane-1,1-dio...

$$$$ Data

M. F.

C14H17N3O3S

Suppliers	Catalog Number
Life Chemicals	F2158-0568
InterBioScreen	BB_SC-5209

Database	Data ID
PubChem	42648450

M. W.

307.36808

CAS

Similarity

N/A

ID: 117475

3-[5-amino-3-(furan-2-yl)-1H-pyrazol-1-yl]-1λ⁶-thiolane-1,1-dione

$$$$ Data

M. F.

C11H13N3O3S

Suppliers	Catalog Number
Life Chemicals	F2158-0569
Enamine	EN300-86615

Database	Data ID
PubChem	16228126

M. W.

267.30422

CAS

Similarity

N/A

ID: 117476

3-[5-amino-3-(thiophen-2-yl)-1H-pyrazol-1-yl]-1λ⁶-thiolane-1,1-dione

$$$$ Data

M. F.

C11H13N3O2S2

Suppliers	Catalog Number
Life Chemicals	F2158-0570

Database	Data ID
PubChem	43090486

M. W.

283.36982

CAS

Similarity

N/A

ID: 117477

3-[5-amino-3-(4-chlorophenyl)-1H-pyrazol-1-yl]-1λ⁶-thiolane-1,1-dion...

$$$$ Data

M. F.

C13H14ClN3O2S

Suppliers	Catalog Number
Life Chemicals	F2158-0571

Database	Data ID
PubChem	43336877

M. W.

311.78716

CAS

Similarity

N/A

ID: 117478

3-[5-amino-3-(4-methylphenyl)-1H-pyrazol-1-yl]-1λ⁶-thiolane-1,1-dion...

$$$$ Data

M. F.

C14H17N3O2S

Suppliers	Catalog Number
Life Chemicals	F2158-0572

Database	Data ID
PubChem	43336853

M. W.

291.36868

CAS

Similarity

N/A

ID: 117479

6-(2-amino-1,3-thiazol-4-yl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

$$$$ Data

M. F.

C11H9N3O2S

Suppliers	Catalog Number
Life Chemicals	F2158-0573
InterBioScreen	BB_SC-5762
Enamine	EN300-13268

Database	Data ID
PubChem	2061961

M. W.

247.27306

CAS

Similarity

N/A

ID: 117480

2,6-dioxo-5-(pyrrolidin-1-ylmethyl)-1,2,3,6-tetrahydropyrimidine-4-carboxylic ac...

$$$$ Data

M. F.

C10H13N3O4

Suppliers	Catalog Number
Life Chemicals	F2158-0576
InterBioScreen	BB_SC-5160

Database	Data ID
PubChem	17595304

M. W.

239.22792

CAS

Similarity

N/A

ID: 117481

3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)propanoic acid

$$$$ Data

M. F.

C8H10N2O4

Suppliers	Catalog Number
Life Chemicals	F2158-0577
InterBioScreen	BB_NC-2534
Enamine	EN300-25735

Database	Data ID
PubChem	14245505

M. W.

198.176

CAS

28181-39-7

Similarity

N/A

ID: 117482

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

$$$$ Data

M. F.

C10H5F2NO3

Suppliers	Catalog Number
Life Chemicals	F2158-0578

Database	Data ID
PubChem	33679719

M. W.

225.1484064

CAS

1017513-51-7

Similarity

N/A

ID: 117483

3-chloro-6-(piperazin-1-yl)pyridazine

$$$$ Data

M. F.

C8H11ClN4

Suppliers	Catalog Number
Life Chemicals	F2158-0579

Database	Data ID
PubChem	5294926

M. W.

198.65274

CAS

56392-83-7

Similarity

N/A

ID: 117484

3-(2-aminocyclohexyl)-1,3-thiazolidine-2,4-dione

$$$$ Data

M. F.

C9H14N2O2S

Suppliers	Catalog Number
Life Chemicals	F2158-0587

Database	Data ID
PubChem	17591359

M. W.

214.28466

CAS

Similarity

N/A

ID: 117485

methyl 3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)propanoate

$$$$ Data

M. F.

C9H12N2O4

Suppliers	Catalog Number
Life Chemicals	F2158-0588

Database	Data ID
PubChem	33679720

M. W.

212.20258

CAS

Similarity

N/A

ID: 117486

4-(quinolin-2-ylmethoxy)benzoic acid

$$$$ Data

M. F.

C17H13NO3

Suppliers	Catalog Number
Life Chemicals	F2158-0589

Database	Data ID
PubChem	9838552

M. W.

279.29002

CAS

123724-16-3

Similarity

N/A

ID: 117487

4-(pyridin-2-ylmethoxy)benzoic acid

$$$$ Data

M. F.

C13H11NO3

Suppliers	Catalog Number
Life Chemicals	F2158-0590
Enamine	EN300-86654

Database	Data ID
PubChem	16228188

M. W.

229.23134

CAS

Similarity

N/A

ID: 117488

4-(pyridin-3-ylmethoxy)benzoic acid

$$$$ Data

M. F.

C13H11NO3

Suppliers	Catalog Number
Life Chemicals	F2158-0591
Enamine	EN300-31577
Bide Pharmatech	BD230163

Database	Data ID
PubChem	16228537

M. W.

229.23134

CAS

898138-45-9

Similarity

N/A

ID: 117489

4-(pyridin-4-ylmethoxy)benzoic acid

$$$$ Data

M. F.

C13H11NO3

Suppliers	Catalog Number
Life Chemicals	F2158-0592
Enamine	EN300-29713

Database	Data ID
PubChem	16228253

M. W.

229.23134

CAS

Similarity

N/A

ID: 117490

1-(quinolin-2-ylmethyl)piperidine-4-carboxylic acid

$$$$ Data

M. F.

C16H18N2O2

Suppliers	Catalog Number
Life Chemicals	F2158-0593

Database	Data ID
PubChem	3942043

M. W.

270.32632

CAS

Similarity

N/A

ID: 117491

4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid

$$$$ Data

M. F.

C12H11NO3S

Suppliers	Catalog Number
Life Chemicals	F2158-0602
Enamine	EN300-14122

Database	Data ID
PubChem	4962840

M. W.

249.28564

CAS

Similarity

N/A

ID: 117492

5-(benzyloxy)-4-hydroxypyridine-2-carbaldehyde

$$$$ Data

M. F.

C13H11NO3

Suppliers	Catalog Number
Life Chemicals	F2158-0612

Database	Data ID
PubChem	5140306

M. W.

229.23134

CAS

Similarity

N/A

ID: 117493

2-amino-5-bromo-6-phenyl-3,4-dihydropyrimidin-4-one

$$$$ Data

M. F.

C10H8BrN3O

Suppliers	Catalog Number
Life Chemicals	F2158-0617

Database	Data ID
PubChem	65457

M. W.

266.09402

CAS

Similarity

N/A

ID: 117494

5,6-dihydro-1,4-dioxine-2-carbonyl chloride

$$$$ Data

M. F.

C5H5ClO3

Suppliers	Catalog Number
Life Chemicals	F2158-0619

Database	Data ID
PubChem	12308569

M. W.

148.5444

CAS

61564-99-6

Similarity

N/A

ID: 117495

1-({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)piperazine

$$$$ Data

M. F.

C11H16N4S

Suppliers	Catalog Number
Life Chemicals	F2158-0623

Database	Data ID
PubChem	38996171

M. W.

236.33654

CAS

Similarity

N/A

ID: 117496

{6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methanol

$$$$ Data

M. F.

C7H8N2OS

Suppliers	Catalog Number
Life Chemicals	F2158-0624
Enamine	EN300-64731

Database	Data ID
PubChem	332985

M. W.

168.21622

CAS

76919-40-9

Similarity

N/A

ID: 117497

2-amino-5-chloro-1,3-thiazole-4-carboxylic acid

$$$$ Data

M. F.

C4H3ClN2O2S

Suppliers	Catalog Number
Life Chemicals	F2158-0626

Database	Data ID
PubChem	24049379

M. W.

178.59682

CAS

Similarity

N/A

ID: 117498

5-(chloromethyl)-6-methylimidazo[2,1-b][1,3]thiazole

$$$$ Data

M. F.

C7H7ClN2S

Suppliers	Catalog Number
Life Chemicals	F2158-0627

Database	Data ID
PubChem	10750069

M. W.

186.66188

CAS

Similarity

N/A

ID: 117499

methyl 6-hydroxy-1H-indole-2-carboxylate

$$$$ Data

M. F.

C10H9NO3

Suppliers	Catalog Number
Life Chemicals	F2158-0630

Database	Data ID
PubChem	10535709

M. W.

191.18336

CAS

116350-38-0

Similarity

N/A

ID: 117500

6-hydroxy-1H-indole-2-carboxylic acid

$$$$ Data

M. F.

C9H7NO3

Suppliers	Catalog Number
Life Chemicals	F2158-0631
Bide Pharmatech	BD33564
A&J Pharmtech	AJA-O17267

Database	Data ID
PubChem	22350191

M. W.

177.15678

CAS

40047-23-2

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