Chembase list of 866358 unique molecular structures

2-{2-methyl-1-azatricyclo[6.3.1.0⁴,¹²]dodeca-2,...

$$$$ Data

M. F.

C14H18N2

Suppliers	Catalog Number
ChemBridge	4100064
Matrix Scientific	027056
InterBioScreen	STOCK1N-21536

Database	Data ID
PubChem	603606

M. W.

214.30612

CAS

Similarity

N/A

ID: 24552

N-[(5-amino-1,3,4-oxadiazol-2-yl)methyl]-N-methylbenzamide

$$$$ Data

M. F.

C11H12N4O2

Suppliers	Catalog Number
Matrix Scientific	027057

Database	Data ID
PubChem	28307252

M. W.

232.23858

CAS

Similarity

N/A

ID: 24553

(3-methyl-1,2-oxazol-5-yl)methanamine

$$$$ Data More

M. F.

C5H8N2O

Suppliers	Catalog Number
Sigma Aldrich	CBR00041
ChemBridge	4100870
Matrix Scientific	027058

Database	Data ID
PubChem	16481072

M. W.

112.12982

CAS

154016-55-4

Similarity

N/A

ID: 24554

1-(5-bromothiophen-2-yl)ethan-1-amine

$$$$ Data

M. F.

C6H8BrNS

Suppliers	Catalog Number
Matrix Scientific	027059
Enamine	EN300-98941

Database	Data ID
PubChem	4359396

M. W.

206.10342

CAS

Similarity

N/A

ID: 24555

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

$$$$ Data More

M. F.

C4H8ClN3O

Suppliers	Catalog Number
Matrix Scientific	027060
Enamine	EN300-43090
Bide Pharmatech	BD223945

Database	Data ID
PubChem	20848010

M. W.

149.57882

CAS

1172088-56-0

Similarity

N/A

ID: 24556

1-(5-chlorothiophen-2-yl)ethan-1-amine

$$$$ Data

M. F.

C6H8ClNS

Suppliers	Catalog Number
Matrix Scientific	027061
Enamine	EN300-36076

Database	Data ID
PubChem	4376996

M. W.

161.65242

CAS

214759-44-1

Similarity

N/A

ID: 24557

(3-methyl-1H-1,2,4-triazol-5-yl)methanamine

$$$$ Data

M. F.

C4H8N4

Suppliers	Catalog Number
ChemBridge	4101160
Matrix Scientific	027062
A&J Pharmtech	AJA-O14249 AJA-O11967

Database	Data ID
PubChem	1382012

M. W.

112.13312

CAS

131052-49-8

Similarity

N/A

ID: 24558

2-(5-methyl-1H-1,2,4-triazol-3-yl)ethan-1-amine hydrochloride

$$$$ Data

M. F.

C5H11ClN4

Suppliers	Catalog Number
Matrix Scientific	027063
Enamine	EN300-71493

Database	Data ID
PubChem	50988180

M. W.

162.62064

CAS

Similarity

N/A

ID: 24559

3-amino-1$l^{6}-thiolane-1,1-dione hydrochloride

$$$$ Data More

M. F.

C4H10ClNO2S

Suppliers	Catalog Number
Matrix Scientific	027064
Maybridge	RJC02399
Apollo Scientific	OR28153

Database	Data ID
PubChem	2795201

M. W.

171.6457

CAS

51642-03-6

Similarity

N/A

ID: 24560

1-(adamantan-2-yl)piperazine

$$$$ Data

M. F.

C14H24N2

Suppliers	Catalog Number
Matrix Scientific	027065

Database	Data ID
PubChem	4599242

M. W.

220.35376

CAS

Similarity

N/A

ID: 24561

N-(adamantan-1-yl)-4-aminobenzene-1-sulfonamide

$$$$ Data

M. F.

C16H22N2O2S

Suppliers	Catalog Number
Matrix Scientific	027066

Database	Data ID
PubChem	593568

M. W.

306.42308

CAS

Similarity

N/A

ID: 24562

3-aminoadamantan-1-ol

$$$$ Data More

M. F.

C10H17NO

Suppliers	Catalog Number
ChemBridge	4003530
Matrix Scientific	027067
Bide Pharmatech	BD22283

Database	Data ID
PubChem	658645

M. W.

167.24808

CAS

702-82-9

Similarity

N/A

ID: 24563

4-(adamantan-1-yl)aniline

$$$$ Data

M. F.

C16H21N

Suppliers	Catalog Number
Matrix Scientific	027068
Life Chemicals	F1928-0015
A&J Pharmtech	AJA-O3727

Database	Data ID
PubChem	598544

M. W.

227.34464

CAS

1459-48-9

Similarity

N/A

ID: 24564

1,3,5-triazatricyclo[3.3.1.1³,⁷]decan-7-amine

$$$$ Data More

M. F.

C7H14N4

Suppliers	Catalog Number
ChemBridge	3020252
Matrix Scientific	027070
InterBioScreen	BB_SC-9784

Database	Data ID
PubChem	535684

M. W.

154.21286

CAS

14707-75-6

Similarity

N/A

ID: 24565

thiomorpholine-3-carboxamide

$$$$ Data

M. F.

C5H10N2OS

Suppliers	Catalog Number
Matrix Scientific	027072
Enamine	EN300-122866

Database	Data ID
PubChem	568316

M. W.

146.2107

CAS

Similarity

N/A

ID: 24566

2-aminoethane-1-sulfonamide hydrochloride

$$$$ Data

M. F.

C2H9ClN2O2S

Suppliers	Catalog Number
Matrix Scientific	027073
Enamine	EN300-36065

Database	Data ID
PubChem	3021549

M. W.

160.62306

CAS

4378-70-5

Similarity

N/A

ID: 24567

(1-methylpyrrolidin-2-yl)methanamine

$$$$ Data

M. F.

C6H14N2

Suppliers	Catalog Number
ChemBridge	4111535
Matrix Scientific	027074
Enamine	EN300-55709

Database	Data ID
PubChem	117300

M. W.

114.18876

CAS

26171-06-2

Similarity

N/A

ID: 24568

2-(1-methylpiperidin-2-yl)ethan-1-amine

$$$$ Data

M. F.

C8H18N2

Suppliers	Catalog Number
ChemBridge	4011191
Matrix Scientific	027075

Database	Data ID
PubChem	4712477

M. W.

142.24192

CAS

18128-28-4

Similarity

N/A

ID: 24569

1-(2H-1,3-benzodioxol-5-yl)ethan-1-amine

$$$$ Data More

M. F.

C9H11NO2

Suppliers	Catalog Number
ChemBridge	3002365
Matrix Scientific	027076
Apollo Scientific	OR6770

Database	Data ID
PubChem	129498

M. W.

165.18914

CAS

121734-64-3

Similarity

N/A

ID: 24570

2-(oxolan-2-yl)ethan-1-amine

$$$$ Data

M. F.

C6H13NO

Suppliers	Catalog Number
Matrix Scientific	027077
Enamine	EN300-27797

Database	Data ID
PubChem	4854736

M. W.

115.17352

CAS

98277-97-5

Similarity

N/A

ID: 24571

4-amino-N-methylbenzene-1-sulfonamide

$$$$ Data More

M. F.

C7H10N2O2S

Suppliers	Catalog Number
ChemBridge	3002099
Matrix Scientific	027078
Apollo Scientific	OR17868

Database	Data ID
PubChem	74368

M. W.

186.2315

CAS

1709-52-0

Similarity

N/A

ID: 24572

4-amino-N-ethylbenzene-1-sulfonamide

$$$$ Data More

M. F.

C8H12N2O2S

Suppliers	Catalog Number
ChemBridge	3000465
Matrix Scientific	027079
Life Chemicals	F1591-0471

Database	Data ID
PubChem	593572

M. W.

200.25808

CAS

1709-53-1

Similarity

N/A

ID: 24573

4-amino-N-(2-methylphenyl)benzene-1-sulfonamide

$$$$ Data

M. F.

C13H14N2O2S

Suppliers	Catalog Number
Matrix Scientific	027080

Database	Data ID
PubChem	593569

M. W.

262.32746

CAS

Similarity

N/A

ID: 24574

4-amino-N-(2-methoxyphenyl)benzene-1-sulfonamide

$$$$ Data

M. F.

C13H14N2O3S

Suppliers	Catalog Number
Matrix Scientific	027081
Enamine	EN300-02203

Database	Data ID
PubChem	579335

M. W.

278.32686

CAS

19837-84-4

Similarity

N/A

ID: 24575

4-amino-N-(3,4-dichlorophenyl)benzene-1-sulfonamide

$$$$ Data

M. F.

C12H10Cl2N2O2S

Suppliers	Catalog Number
Matrix Scientific	027082
Enamine	EN300-49627

Database	Data ID
PubChem	593571

M. W.

317.191

CAS

Similarity

N/A

ID: 24576

4-amino-N-(3,5-dichlorophenyl)benzene-1-sulfonamide

$$$$ Data

M. F.

C12H10Cl2N2O2S

Suppliers	Catalog Number
Matrix Scientific	027083

Database	Data ID
PubChem	221212

M. W.

317.191

CAS

Similarity

N/A

ID: 24577

3-(morpholine-4-sulfonyl)aniline

$$$$ Data More

M. F.

C10H14N2O3S

Suppliers	Catalog Number
Matrix Scientific	027084
Maybridge	MO07112
Apollo Scientific	OR14249

Database	Data ID
PubChem	559410

M. W.

242.29476

CAS

22184-97-0

Similarity

N/A

ID: 24578

N-(2-aminoethyl)-2,3,4,5,6-pentachloroaniline

$$$$ Data

M. F.

C8H7Cl5N2

Suppliers	Catalog Number
Matrix Scientific	027085

Database	Data ID
PubChem	230271

M. W.

308.41958

CAS

Similarity

N/A

ID: 24579

N-(3-aminopropyl)-2,3,4,5,6-pentachloroaniline

$$$$ Data

M. F.

C9H9Cl5N2

Suppliers	Catalog Number
Matrix Scientific	027086

Database	Data ID
PubChem	28307257

M. W.

322.44616

CAS

Similarity

N/A

ID: 24580

2,2-dimethyl-3-(morpholin-4-yl)propan-1-amine

$$$$ Data

M. F.

C9H20N2O

Suppliers	Catalog Number
ChemBridge	3002486
Matrix Scientific	027087

Database	Data ID
PubChem	25219383

M. W.

172.2679

CAS

90796-54-6

Similarity

N/A

ID: 24581

thiolan-3-amine

$$$$ Data

M. F.

C4H9NS

Suppliers	Catalog Number
ChemBridge	4014976
Matrix Scientific	027088

Database	Data ID
PubChem	522918

M. W.

103.18596

CAS

101993-01-5

Similarity

N/A

ID: 24582

2-(4-formylphenoxy)acetamide

$$$$ Data

M. F.

C9H9NO3

Suppliers	Catalog Number
ChemBridge	4132407
Matrix Scientific	027089
Enamine	EN300-15275

Database	Data ID
PubChem	601630

M. W.

179.17266

CAS

135857-20-4

Similarity

N/A

ID: 24583

1-(4-aminophenyl)pyrrolidin-2-one

$$$$ Data More

M. F.

C10H12N2O

Suppliers	Catalog Number
Sigma Aldrich	CBR00182
ChemBridge	4028296
Matrix Scientific	027090

Database	Data ID
PubChem	676146

M. W.

176.21508

CAS

13691-22-0

Similarity

N/A

ID: 24584

1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-amine

$$$$ Data

M. F.

C10H13NO2

Suppliers	Catalog Number
ChemBridge	4102862
Matrix Scientific	027091
Enamine	EN300-11740

Database	Data ID
PubChem	3146111

M. W.

179.21572

CAS

122416-41-5

Similarity

N/A

ID: 24585

1-[1-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazol-4-yl]ethan-1-one

$$$$ Data

M. F.

C6H6N6O2

Suppliers	Catalog Number
Matrix Scientific	027092

Database	Data ID
PubChem	536901

M. W.

194.15084

CAS

Similarity

N/A

ID: 24586

1-methylpyrrolidin-3-amine dihydrochloride

$$$$ Data

M. F.

C5H14Cl2N2

Suppliers	Catalog Number
Matrix Scientific	027093
Enamine	EN300-54011

Database	Data ID
PubChem	45792254

M. W.

173.08406

CAS

13220-27-4

Similarity

N/A

ID: 24587

1-methylpiperidin-3-amine

$$$$ Data

M. F.

C6H14N2

Suppliers	Catalog Number
ChemBridge	4004054
Matrix Scientific	027094
Enamine	EN300-52213

Database	Data ID
PubChem	3860971

M. W.

114.18876

CAS

42389-57-1

Similarity

N/A

ID: 24588

1-benzylpiperidin-4-amine

$$$$ Data More

M. F.

C12H18N2

Suppliers	Catalog Number
Sigma Aldrich	195812 07100
Alfa Aesar	A10149
Matrix Scientific	027095

Database	Data ID
PubChem	415852

M. W.

190.28472

CAS

1155-56-2

Similarity

N/A

ID: 24589

N-(2-aminoethyl)pyrimidin-2-amine

$$$$ Data

M. F.

C6H10N4

Suppliers	Catalog Number
Matrix Scientific	027096
InterBioScreen	BB_SC-10972

Database	Data ID
PubChem	15142699

M. W.

138.1704

CAS

Similarity

N/A

ID: 24590

[(2-aminoethyl)sulfanyl]benzene

$$$$ Data More

M. F.

C8H11NS

Suppliers	Catalog Number
ChemBridge	4002675
Matrix Scientific	027097
Key Organics	CE-0710

Database	Data ID
PubChem	37013

M. W.

153.24464

CAS

2014-75-7

Similarity

N/A

ID: 24591

1λ⁶,4-thiomorpholine-1,1-dione hydrochloride

$$$$ Data More

M. F.

C4H10ClNO2S

Suppliers	Catalog Number
Matrix Scientific	027098
Enamine	EN300-67050
Bide Pharmatech	BD2385

Database	Data ID
PubChem	12324096

M. W.

171.6457

CAS

39093-93-1

Similarity

N/A

ID: 24592

[5-(pyrrolidine-1-sulfonyl)furan-2-yl]methanamine hydrochloride

$$$$ Data

M. F.

C9H15ClN2O3S

Suppliers	Catalog Number
Matrix Scientific	027099

Database	Data ID
PubChem	56829414

M. W.

266.745

CAS

Similarity

N/A

ID: 24593

5-(aminomethyl)quinolin-8-ol

$$$$ Data

M. F.

C10H10N2O

Suppliers	Catalog Number
Matrix Scientific	027100

Database	Data ID
PubChem	23008755

M. W.

174.1992

CAS

Similarity

N/A

ID: 24594

1,2,4-thiadiazol-5-amine

$$$$ Data

M. F.

C2H3N3S

Suppliers	Catalog Number
Matrix Scientific	027101
A&J Pharmtech	AJA-O14536

Database	Data ID
PubChem	290274

M. W.

101.13032

CAS

7552-07-0

Similarity

N/A

ID: 24595

1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine

$$$$ Data

M. F.

C7H10N2

Suppliers	Catalog Number
ChemBridge	4028089
Matrix Scientific	027102

Database	Data ID
PubChem	1549128

M. W.

122.1677

CAS

71257-38-0

Similarity

N/A

ID: 24596

4,4-dimethylpiperidine hydrochloride

$$$$ Data

M. F.

C7H16ClN

Suppliers	Catalog Number
Matrix Scientific	027103
Enamine	EN300-65616
Bide Pharmatech	BD188167

Database	Data ID
PubChem	22252902

M. W.

149.66164

CAS

38646-68-3

Similarity

N/A

ID: 24597

2,3,4,5-tetrahydro-1,4-benzoxazepine hydrochloride

$$$$ Data

M. F.

C9H12ClNO

Suppliers	Catalog Number
Matrix Scientific	027104
Enamine	EN300-50573

Database	Data ID
PubChem	22237992

M. W.

185.65068

CAS

17775-01-8

Similarity

N/A

ID: 24598

4H,5H,6H,7H-thieno[3,2-c]pyridine hydrochloride

$$$$ Data More

M. F.

C7H10ClNS

Suppliers	Catalog Number
Alfa Aesar	H28243
Matrix Scientific	027105
Key Organics	MD-0219

Database	Data ID
PubChem	10176342

M. W.

175.679

CAS

28783-41-7

Similarity

N/A

ID: 24599

3-[(methylamino)methyl]-4,5-dihydro-1H-1,2,4-triazol-5-one

$$$$ Data

M. F.

C4H8N4O

Suppliers	Catalog Number
ChemBridge	2102304
Matrix Scientific	027106

Database	Data ID
PubChem	5200355

M. W.

128.13252

CAS

660412-53-3

Similarity

N/A

ID: 24600

methyl[1-(pyridin-2-yl)ethyl]amine

$$$$ Data

M. F.

C8H12N2

Suppliers	Catalog Number
ChemBridge	4102794
Matrix Scientific	027107
Enamine	EN300-58256

Database	Data ID
PubChem	16773381

M. W.

136.19428

CAS

114366-07-3

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