Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C4H3ClO3

Suppliers	Catalog Number
Sigma Aldrich	364223 24700
InterBioScreen	BB_SC-2413

Database	Data ID
PubChem	4158575

M. W.

134.51782

CAS

4971-55-5

Similarity

N/A

ID: 121702

10-(hydroxymethyl)-1-azatricyclo[6.3.1.0⁴,¹²]do...

$$$$ Data

M. F.

C12H11NO2

Suppliers	Catalog Number
InterBioScreen	BB_SC-2424 STOCK1N-66764

Database	Data ID
PubChem	2772406

M. W.

201.22124

CAS

Similarity

N/A

ID: 121703

10-(chloromethyl)-1-azatricyclo[6.3.1.0⁴,¹²]dod...

$$$$ Data

M. F.

C12H10ClNO

Suppliers	Catalog Number
InterBioScreen	BB_SC-2426

Database	Data ID
PubChem	2772407

M. W.

219.6669

CAS

Similarity

N/A

ID: 121704

1-methyl-2-oxo-1,2-dihydroquinoline-3-carbaldehyde

$$$$ Data

M. F.

C11H9NO2

Suppliers	Catalog Number
ChemBridge	4035619
InterBioScreen	BB_SC-2429 STOCK1N-66523

Database	Data ID
PubChem	4914628

M. W.

187.19466

CAS

67735-60-8

Similarity

N/A

ID: 121705

1-(2-methylpropyl)-2-oxo-1,2-dihydroquinoline-3-carbaldehyde

$$$$ Data

M. F.

C14H15NO2

Suppliers	Catalog Number
InterBioScreen	BB_SC-2430 STOCK1N-67261

Database	Data ID
PubChem	4914629

M. W.

229.2744

CAS

Similarity

N/A

ID: 121706

6-methyl-1-(2-methylpropyl)-2-oxo-1,2-dihydroquinoline-3-carbaldehyde

$$$$ Data

M. F.

C15H17NO2

Suppliers	Catalog Number
InterBioScreen	BB_SC-2433 STOCK1N-67658

Database	Data ID
PubChem	4914632

M. W.

243.30098

CAS

Similarity

N/A

ID: 121707

6-methoxy-1-(2-methylpropyl)-2-oxo-1,2-dihydroquinoline-3-carbaldehyde

$$$$ Data

M. F.

C15H17NO3

Suppliers	Catalog Number
InterBioScreen	BB_SC-2434

Database	Data ID
PubChem	4914633

M. W.

259.30038

CAS

Similarity

N/A

ID: 121708

3-(chloromethyl)-6-methoxy-1-methyl-1,2-dihydroquinolin-2-one

$$$$ Data

M. F.

C12H12ClNO2

Suppliers	Catalog Number
InterBioScreen	BB_SC-2436

Database	Data ID
PubChem	4914635

M. W.

237.68218

CAS

Similarity

N/A

ID: 121709

3-(hydroxymethyl)-6-methoxy-1-methyl-1,2-dihydroquinolin-2-one

$$$$ Data

M. F.

C12H13NO3

Suppliers	Catalog Number
InterBioScreen	BB_SC-2444 STOCK1N-66825

Database	Data ID
PubChem	4914643

M. W.

219.23652

CAS

Similarity

N/A

ID: 121710

6-amino-1-(4-fluorophenyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

$$$$ Data

M. F.

C10H8FN3O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-2454

Database	Data ID
PubChem	1517127

M. W.

221.1878232

CAS

Similarity

N/A

ID: 121711

6-amino-1-(3-chlorophenyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

$$$$ Data

M. F.

C10H8ClN3O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-2455

Database	Data ID
PubChem	1526881

M. W.

237.64242

CAS

Similarity

N/A

ID: 121712

6-amino-1-(4-chlorophenyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

$$$$ Data

M. F.

C10H8ClN3O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-2456

Database	Data ID
PubChem	702879

M. W.

237.64242

CAS

Similarity

N/A

ID: 121713

6-amino-1-(4-methoxyphenyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

$$$$ Data

M. F.

C11H11N3O3

Suppliers	Catalog Number
InterBioScreen	BB_SC-2457

Database	Data ID
PubChem	738322

M. W.

233.22334

CAS

Similarity

N/A

ID: 121714

6-amino-1-[(4-chlorophenyl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

$$$$ Data

M. F.

C11H10ClN3O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-2459
Enamine	EN300-56951

Database	Data ID
PubChem	1526620

M. W.

251.669

CAS

Similarity

N/A

ID: 121715

6-amino-1-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

$$$$ Data

M. F.

C11H10ClN3O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-2460

Database	Data ID
PubChem	1526618

M. W.

251.669

CAS

Similarity

N/A

ID: 121716

6-amino-1-(2-phenylethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

$$$$ Data

M. F.

C12H13N3O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-2461

Database	Data ID
PubChem	1409300

M. W.

231.25052

CAS

Similarity

N/A

ID: 121717

6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

$$$$ Data

M. F.

C14H17N3O4

Suppliers	Catalog Number
InterBioScreen	BB_SC-2462

Database	Data ID
PubChem	686786

M. W.

291.30248

CAS

Similarity

N/A

ID: 121718

6-amino-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrim...

$$$$ Data

M. F.

C14H17N3O3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-2463

Database	Data ID
PubChem	1259573

M. W.

307.36808

CAS

Similarity

N/A

ID: 121719

2-(4-methanesulfonylpiperazin-1-yl)aniline

$$$$ Data

M. F.

C11H17N3O2S

Suppliers	Catalog Number
InterBioScreen	BB_SC-2481

Database	Data ID
PubChem	952030

M. W.

255.33658

CAS

Similarity

N/A

ID: 121720

2-[4-(4-chlorobenzoyl)piperazin-1-yl]aniline

$$$$ Data

M. F.

C17H18ClN3O

Suppliers	Catalog Number
InterBioScreen	BB_SC-2482

Database	Data ID
PubChem	976249

M. W.

315.79732

CAS

Similarity

N/A

ID: 121721

1-[4-(2-amino-4-chlorophenyl)piperazin-1-yl]propan-1-one

$$$$ Data

M. F.

C13H18ClN3O

Suppliers	Catalog Number
InterBioScreen	BB_SC-2485

Database	Data ID
PubChem	934880

M. W.

267.75452

CAS

Similarity

N/A

ID: 121722

methyl 3-amino-4-(4-benzylpiperazin-1-yl)benzoate

$$$$ Data

M. F.

C19H23N3O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-2488

Database	Data ID
PubChem	2996894

M. W.

325.40482

CAS

Similarity

N/A

ID: 121723

4-(morpholin-4-yl)benzene-1,3-diamine

$$$$ Data

M. F.

C10H15N3O

Suppliers	Catalog Number
InterBioScreen	BB_SC-2490

Database	Data ID
PubChem	808760

M. W.

193.2456

CAS

Similarity

N/A

ID: 121724

3-chloro-2-(4-ethylpiperazin-1-yl)aniline

$$$$ Data

M. F.

C12H18ClN3

Suppliers	Catalog Number
ChemBridge	4023324
InterBioScreen	BB_SC-2492

Database	Data ID
PubChem	952390

M. W.

239.74442

CAS

714282-41-4

Similarity

N/A

ID: 121725

1-(pyrimidin-2-yl)-1,4-diazepane

$$$$ Data

M. F.

C9H14N4

Suppliers	Catalog Number
ChemBridge	4004468
InterBioScreen	BB_SC-2493

Database	Data ID
PubChem	2772409

M. W.

178.23426

CAS

21279-57-2

Similarity

N/A

ID: 121726

1-benzyl-4-chlorophthalazine

$$$$ Data

M. F.

C15H11ClN2

Suppliers	Catalog Number
Alfa Aesar	H50494
InterBioScreen	BB_SC-2497
Enamine	EN300-110819

Database	Data ID
PubChem	6404566

M. W.

254.71424

CAS

40848-53-1

Similarity

N/A

ID: 121727

2-chloro-6-methoxy-3-methylquinoline

$$$$ Data

M. F.

C11H10ClNO

Suppliers	Catalog Number
InterBioScreen	BB_SC-2501
Enamine	EN300-126093
A&J Pharmtech	AJA-O33933

Database	Data ID
PubChem	4914664

M. W.

207.6562

CAS

123990-76-1

Similarity

N/A

ID: 121728

4-chloro-6-fluoro-2-methylquinoline

$$$$ Data More

M. F.

C10H7ClFN

Suppliers	Catalog Number
ChemBridge	4043187
Alfa Aesar	H50553
InterBioScreen	BB_SC-2511

Database	Data ID
PubChem	87694

M. W.

195.6206832

CAS

18529-01-6

Similarity

N/A

ID: 121729

1-[2-(4-chlorophenoxy)ethyl]piperazine

$$$$ Data

M. F.

C12H17ClN2O

Suppliers	Catalog Number
InterBioScreen	BB_SC-2517
Enamine	EN300-11813

Database	Data ID
PubChem	894310

M. W.

240.72918

CAS

Similarity

N/A

ID: 121730

4,5-dichloro-3-methyl-1-phenyl-1H-pyrazole

$$$$ Data

M. F.

C10H8Cl2N2

Suppliers	Catalog Number
InterBioScreen	BB_SC-2524
Enamine	EN300-110831

Database	Data ID
PubChem	4914665

M. W.

227.08992

CAS

Similarity

N/A

ID: 121731

5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carbonitrile

$$$$ Data

M. F.

C11H8ClN3

Suppliers	Catalog Number
Alfa Aesar	H50562
InterBioScreen	BB_SC-2528

Database	Data ID
PubChem	2748811

M. W.

217.65432

CAS

51626-33-6

Similarity

N/A

ID: 121732

ethyl 4-chloro-8-methoxyquinoline-3-carboxylate

$$$$ Data

M. F.

C13H12ClNO3

Suppliers	Catalog Number
Alfa Aesar	H50509
InterBioScreen	BB_SC-2530
Enamine	EN300-110489

Database	Data ID
PubChem	304557

M. W.

265.69228

CAS

27568-05-4

Similarity

N/A

ID: 121733

1,4-dimethyl 2-(morpholin-4-yl)butanedioate

$$$$ Data

M. F.

C10H17NO5

Suppliers	Catalog Number
InterBioScreen	BB_SC-2531

Database	Data ID
PubChem	4897155

M. W.

231.24568

CAS

Similarity

N/A

ID: 121734

1,4-dimethyl 2-(4-methylpiperazin-1-yl)butanedioate

$$$$ Data

M. F.

C11H20N2O4

Suppliers	Catalog Number
InterBioScreen	BB_SC-2532

Database	Data ID
PubChem	4896716

M. W.

244.2875

CAS

Similarity

N/A

ID: 121735

1,4-dimethyl 2-(pyrrolidin-1-yl)butanedioate

$$$$ Data

M. F.

C10H17NO4

Suppliers	Catalog Number
InterBioScreen	BB_SC-2533

Database	Data ID
PubChem	4892838

M. W.

215.24628

CAS

Similarity

N/A

ID: 121736

3-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0¹

$$$$ Data

M. F.

C16H22N2O4

Suppliers	Catalog Number
InterBioScreen	BB_SC-2536

Database	Data ID
PubChem	4914668

M. W.

306.35688

CAS

Similarity

N/A

ID: 121737

3-oxo-2-(pyridin-3-ylmethyl)-2,3-dihydro-1H-isoindole-4-carboxylic acid

$$$$ Data

M. F.

C15H12N2O3

Suppliers	Catalog Number
InterBioScreen	BB_SC-2539

Database	Data ID
PubChem	4914670

M. W.

268.26738

CAS

Similarity

N/A

ID: 121738

(2E,4E)-3-methyl-5-(naphthalen-2-yl)penta-2,4-dienoic acid

$$$$ Data

M. F.

C16H14O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-2540

Database	Data ID
PubChem	1897057

M. W.

238.28116

CAS

Similarity

N/A

ID: 121739

(2E,4E)-5-(4-fluorophenyl)-3-methylpenta-2,4-dienoic acid

$$$$ Data

M. F.

C12H11FO2

Suppliers	Catalog Number
InterBioScreen	BB_SC-2541

Database	Data ID
PubChem	1897463

M. W.

206.2129432

CAS

Similarity

N/A

ID: 121740

(carbamothioylamino)thiourea

$$$$ Data

M. F.

C2H6N4S2

Suppliers	Catalog Number
Sigma Aldrich	334685
Alfa Aesar	A16667
InterBioScreen	BB_SC-2542

Database	Data ID
PubChem	2724564

M. W.

150.22584

CAS

142-46-1

Similarity

N/A

ID: 121741

4-phenyl-1H-imidazole-1,2-diamine

$$$$ Data

M. F.

C9H10N4

Suppliers	Catalog Number
InterBioScreen	BB_SC-2545
Enamine	EN300-12941

Database	Data ID
PubChem	765290

M. W.

174.2025

CAS

15970-40-8

Similarity

N/A

ID: 121742

9-(2,2-diethoxyethyl)-9H-carbazole

$$$$ Data

M. F.

C18H21NO2

Suppliers	Catalog Number
InterBioScreen	BB_SC-2546

Database	Data ID
PubChem	1880148

M. W.

283.36484

CAS

Similarity

N/A

ID: 121743

2-[4-(dibutylamino)-2-hydroxybenzoyl]benzoic acid

$$$$ Data

M. F.

C22H27NO4

Suppliers	Catalog Number
Sigma Aldrich	402400
InterBioScreen	BB_SC-2547

Database	Data ID
PubChem	1910825

M. W.

369.45408

CAS

54574-82-2

Similarity

N/A

ID: 121744

3-(naphthalen-1-yl)prop-2-ynoic acid

$$$$ Data

M. F.

C13H8O2

Suppliers	Catalog Number
ChemBridge	5141405
InterBioScreen	BB_SC-2552

Database	Data ID
PubChem	761053

M. W.

196.20142

CAS

4843-42-9

Similarity

N/A

ID: 121745

2λ⁴,1,3-benzothiadiazol-4-ol

$$$$ Data

M. F.

C6H4N2OS

Suppliers	Catalog Number
InterBioScreen	BB_SC-2554

Database	Data ID
PubChem	4914673

M. W.

152.17376

CAS

Similarity

N/A

ID: 121746

ethyl 2-[(4-chloro-2λ⁴,1,3-benzothiadiazol-5-yl)oxy]acetate

$$$$ Data

M. F.

C10H9ClN2O3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-2555

Database	Data ID
PubChem	533807

M. W.

272.70806

CAS

Similarity

N/A

ID: 121747

ethyl 2-(2λ⁴,1,3-benzothiadiazol-5-yloxy)acetate

$$$$ Data

M. F.

C10H10N2O3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-2556

Database	Data ID
PubChem	617173

M. W.

238.263

CAS

Similarity

N/A

ID: 121748

4-nitroso-2λ⁴,1,3-benzothiadiazol-5-ol

$$$$ Data

M. F.

C6H3N3O2S

Suppliers	Catalog Number
InterBioScreen	BB_SC-2557

Database	Data ID
PubChem	3735416

M. W.

181.17192

CAS

Similarity

N/A

ID: 121749

2λ⁴,1,3-benzothiadiazol-5-amine

$$$$ Data

M. F.

C6H5N3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-2558

Database	Data ID
PubChem	314313

M. W.

151.189

CAS

Similarity

N/A

ID: 121750

2-[1-(carboxymethyl)hydrazin-1-yl]acetic acid

$$$$ Data

M. F.

C4H8N2O4

Suppliers	Catalog Number
InterBioScreen	BB_SC-2560

Database	Data ID
PubChem	87983

M. W.

148.11732

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