Chembase list of 866358 unique molecular structures

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

$$$$ Data

M. F.

C6H10N2S

Suppliers	Catalog Number
ChemBridge	4102697
Matrix Scientific	069076
A&J Pharmtech	AJA-O14177

Database	Data ID
PubChem	205404

M. W.

142.222

CAS

58981-35-4

Similarity

N/A

ID: 63752

$l^{1}-copper(1+) ion 2-hydroxy-3-methylbenzoate

$$$$ Data

M. F.

C8H7CuO3

Suppliers	Catalog Number
Sigma Aldrich	715174
Matrix Scientific	069077

Database	Data ID
PubChem	54685145

M. W.

214.68538

CAS

326477-70-7

Similarity

N/A

ID: 63753

2-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

$$$$ Data

M. F.

C12H18BNO2

Suppliers	Catalog Number
Matrix Scientific	069078
Apollo Scientific	OR61383

Database	Data ID
PubChem	16414272

M. W.

219.08782

CAS

610768-32-6

Similarity

N/A

ID: 63754

3-iodo-1H-pyrrolo[2,3-c]pyridine

$$$$ Data

M. F.

C7H5IN2

Suppliers	Catalog Number
Matrix Scientific	069079
Bide Pharmatech	BD215841

Database	Data ID
PubChem	37818505

M. W.

244.03247

CAS

956003-24-0

Similarity

N/A

ID: 63755

ethyl 5-(propan-2-yl)-1H-pyrazole-3-carboxylate

$$$$ Data More

M. F.

C9H14N2O2

Suppliers	Catalog Number
Alfa Aesar	B25734
Matrix Scientific	069080
InterBioScreen	BB_SC-10409

Database	Data ID
PubChem	6422484

M. W.

182.21966

CAS

78208-72-7

Similarity

N/A

ID: 63756

1-(1-methyl-1H-pyrazol-4-yl)ethan-1-ol

$$$$ Data

M. F.

C6H10N2O

Suppliers	Catalog Number
Matrix Scientific	069081
Enamine	EN300-77611

Database	Data ID
PubChem	21825961

M. W.

126.1564

CAS

40534-33-6

Similarity

N/A

ID: 63757

ethyl 5-hydroxy-1-methyl-1H-pyrazole-3-carboxylate

$$$$ Data

M. F.

C7H10N2O3

Suppliers	Catalog Number
Matrix Scientific	069082
Bide Pharmatech	BD41754
A&J Pharmtech	AJA-O20813

Database	Data ID
PubChem	12492952

M. W.

170.1659

CAS

51986-17-5

Similarity

N/A

ID: 63758

[6-(trifluoromethyl)pyridin-3-yl]boronic acid

$$$$ Data

M. F.

C6H5BF3NO2

Suppliers	Catalog Number
Matrix Scientific	069083
Apollo Scientific	PC3307
Bide Pharmatech	BD24950

Database	Data ID
PubChem	25134278

M. W.

190.9156096

CAS

868662-36-6

Similarity

N/A

ID: 63759

(3-methanesulfonamidophenyl)boronic acid

$$$$ Data More

M. F.

C7H10BNO4S

Suppliers	Catalog Number
Alfa Aesar	H52895
Matrix Scientific	069084
Apollo Scientific	OR10561

Database	Data ID
PubChem	2773535

M. W.

215.0346

CAS

148355-75-3

Similarity

N/A

ID: 63760

2-bromo-3-methoxypyridine

$$$$ Data More

M. F.

C6H6BrNO

Suppliers	Catalog Number
Sigma Aldrich	649716
Matrix Scientific	069085
Apollo Scientific	OR7550

Database	Data ID
PubChem	90364

M. W.

188.02194

CAS

24100-18-3

Similarity

N/A

ID: 63761

2-chloro-6-methyl-3-nitropyridine

$$$$ Data More

M. F.

C6H5ClN2O2

Suppliers	Catalog Number
Matrix Scientific	069086
Apollo Scientific	OR2994
Chemik	CHH00259

Database	Data ID
PubChem	1268230

M. W.

172.5691

CAS

56057-19-3

Similarity

N/A

ID: 63762

(2-methanesulfonylphenyl)boronic acid

$$$$ Data More

M. F.

C7H9BO4S

Suppliers	Catalog Number
Alfa Aesar	H52445
Matrix Scientific	069087
Apollo Scientific	OR10564

Database	Data ID
PubChem	2773539

M. W.

200.01996

CAS

330804-03-0

Similarity

N/A

ID: 63763

5-chloro-2-iodopyridine

$$$$ Data More

M. F.

C5H3ClIN

Suppliers	Catalog Number
Matrix Scientific	069088
Apollo Scientific	OR59920
Chemik	CHH04115

Database	Data ID
PubChem	11118148

M. W.

239.44149

CAS

244221-57-6

Similarity

N/A

ID: 63764

2-bromo-5-chloropyridin-3-amine

$$$$ Data

M. F.

C5H4BrClN2

Suppliers	Catalog Number
Matrix Scientific	069089
Apollo Scientific	OR3720
Bide Pharmatech	BD23084

Database	Data ID
PubChem	2769640

M. W.

207.45566

CAS

90902-83-3

Similarity

N/A

ID: 63765

3-bromo-4,5-dihydro-1,2-oxazole-5-carboxamide

$$$$ Data

M. F.

C4H5BrN2O2

Suppliers	Catalog Number
Matrix Scientific	069090

Database	Data ID
PubChem	44118308

M. W.

192.9987

CAS

1030613-69-4

Similarity

N/A

ID: 63766

5-bromo-2-(methylsulfanyl)pyrimidin-4-ol

$$$$ Data

M. F.

C5H5BrN2OS

Suppliers	Catalog Number
Matrix Scientific	069091

Database	Data ID
PubChem	240565

M. W.

221.075

CAS

81560-03-4

Similarity

N/A

ID: 63767

2-(methylsulfanyl)pyrimidin-4-ol

$$$$ Data

M. F.

C5H6N2OS

Suppliers	Catalog Number
Matrix Scientific	069092

Database	Data ID
PubChem	79823

M. W.

142.17894

CAS

5751-20-2

Similarity

N/A

ID: 63768

1-methyl-4,5,6,7-tetrahydro-1H-indazol-4-one

$$$$ Data

M. F.

C8H10N2O

Suppliers	Catalog Number
Matrix Scientific	069093
Enamine	EN300-35487

Database	Data ID
PubChem	2765796

M. W.

150.1778

CAS

85302-16-5

Similarity

N/A

ID: 63769

1,3-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-one

$$$$ Data

M. F.

C9H12N2O

Suppliers	Catalog Number
Matrix Scientific	069094

Database	Data ID
PubChem	14126679

M. W.

164.20438

CAS

36767-45-0

Similarity

N/A

ID: 63770

imidazo[1,2-b]pyridazin-6-ol

$$$$ Data

M. F.

C6H5N3O

Suppliers	Catalog Number
Matrix Scientific	069095
Bide Pharmatech	BD159637

Database	Data ID
PubChem	15144435

M. W.

135.1234

CAS

57470-54-9

Similarity

N/A

ID: 63771

pyrazolo[1,5-a]pyridin-3-ylmethanol

$$$$ Data

M. F.

C8H8N2O

Suppliers	Catalog Number
Matrix Scientific	069096
Life Chemicals	F2199-0022

Database	Data ID
PubChem	14134319

M. W.

148.16192

CAS

117782-76-0

Similarity

N/A

ID: 63772

2-bromo-5-methoxypyridine

$$$$ Data More

M. F.

C6H6BrNO

Suppliers	Catalog Number
Matrix Scientific	069097
Apollo Scientific	OR3574
Chemik	CHHZ01200

Database	Data ID
PubChem	11148151

M. W.

188.02194

CAS

105170-27-2

Similarity

N/A

ID: 63773

7-chlorofuro[2,3-c]pyridine

$$$$ Data

M. F.

C7H4ClNO

Suppliers	Catalog Number
Matrix Scientific	069098

Database	Data ID
PubChem	12826107

M. W.

153.56576

CAS

84400-99-7

Similarity

N/A

ID: 63774

(3-propoxyphenyl)boronic acid

$$$$ Data More

M. F.

C9H13BO3

Suppliers	Catalog Number
Sigma Aldrich	557714
Alfa Aesar	H52592
Matrix Scientific	069099

Database	Data ID
PubChem	3691230

M. W.

180.00872

CAS

736989-98-3

Similarity

N/A

ID: 63775

ethyl 5-(tributylstannyl)-1H-pyrazole-3-carboxylate

$$$$ Data

M. F.

C18H34N2O2Sn

Suppliers	Catalog Number
Matrix Scientific	069100

Database	Data ID
PubChem	14972068

M. W.

429.17576

CAS

141998-85-8

Similarity

N/A

ID: 63776

11-phenylundecanoic acid

$$$$ Data

M. F.

C17H26O2

Suppliers	Catalog Number
Matrix Scientific	069101
InterBioScreen	BB_NC-2026 STOCK1N-73934

Database	Data ID
PubChem	76863

M. W.

262.38714

CAS

3343-24-6

Similarity

N/A

ID: 63777

12-phenyldodecanoic acid

$$$$ Data

M. F.

C18H28O2

Suppliers	Catalog Number
Matrix Scientific	069102
Apollo Scientific	OR4172
InterBioScreen	STOCK1N-66550

Database	Data ID
PubChem	151922

M. W.

276.41372

CAS

14507-27-8

Similarity

N/A

ID: 63778

methyl undec-10-enoate

$$$$ Data More

M. F.

C12H22O2

Suppliers	Catalog Number
Sigma Aldrich	U8502 W425301 115126
MP Biomedicals	02158241
Matrix Scientific	069103

Database	Data ID
PubChem	8138

M. W.

198.30188

CAS

111-81-9

Similarity

N/A

ID: 63779

1,12-dimethyl dodecanedioate

$$$$ Data

M. F.

C14H26O4

Suppliers	Catalog Number
Alfa Aesar	L08757
Matrix Scientific	069104

Database	Data ID
PubChem	74415

M. W.

258.35384

CAS

1731-79-9

Similarity

N/A

ID: 63780

1-{1-[(9H-fluoren-9-ylmethoxy)carbonyl]pyrrolidin-3-yl}piperidine-3-carboxylic a...

$$$$ Data

M. F.

C25H28N2O4

Suppliers	Catalog Number
Matrix Scientific	069105

Database	Data ID
PubChem	66521707

M. W.

420.50082

CAS

1313738-82-7

Similarity

N/A

ID: 63781

1-[(tert-butoxy)carbonyl]-1H-indole-4-carboxylic acid

$$$$ Data

M. F.

C14H15NO4

Suppliers	Catalog Number
Matrix Scientific	069106

Database	Data ID
PubChem	49758850

M. W.

261.2732

CAS

848444-79-1

Similarity

N/A

ID: 63782

methyl 12-oxo-12-phenyldodecanoate

$$$$ Data

M. F.

C19H28O3

Suppliers	Catalog Number
Matrix Scientific	069107

Database	Data ID
PubChem	280550

M. W.

304.42382

CAS

104828-35-5

Similarity

N/A

ID: 63783

tert-butyl 1-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate

$$$$ Data

M. F.

C13H22N2O3

Suppliers	Catalog Number
Matrix Scientific	069108
Bide Pharmatech	BD162611

Database	Data ID
PubChem	46835440

M. W.

254.32538

CAS

923009-50-1

Similarity

N/A

ID: 63784

tert-butyl 7-oxo-2,8-diazaspiro[5.5]undecane-2-carboxylate

$$$$ Data

M. F.

C14H24N2O3

Suppliers	Catalog Number
Matrix Scientific	069109

Database	Data ID
PubChem	45074355

M. W.

268.35196

CAS

923009-54-5

Similarity

N/A

ID: 63785

tert-butyl 4-(5-chloro-2-fluorobenzoyl)piperidine-1-carboxylate

$$$$ Data

M. F.

C17H21ClFNO3

Suppliers	Catalog Number
Matrix Scientific	069110

Database	Data ID
PubChem	49761188

M. W.

341.8049432

CAS

1228631-50-2

Similarity

N/A

ID: 63786

tert-butyl 4-(1-amino-2,2,2-trifluoroethyl)piperidine-1-carboxylate

$$$$ Data

M. F.

C12H21F3N2O2

Suppliers	Catalog Number
Matrix Scientific	069111

Database	Data ID
PubChem	49759504

M. W.

282.3025496

CAS

1159982-64-5

Similarity

N/A

ID: 63787

tert-butyl 4-(5-bromo-1H-indazol-3-yl)piperidine-1-carboxylate

$$$$ Data

M. F.

C17H22BrN3O2

Suppliers	Catalog Number
Matrix Scientific	069112

Database	Data ID
PubChem	49760098

M. W.

380.27948

CAS

1198284-77-3

Similarity

N/A

ID: 63788

1-benzyl 3,5-dimethyl piperidine-1,3,5-tricarboxylate

$$$$ Data

M. F.

C17H21NO6

Suppliers	Catalog Number
Matrix Scientific	069113

Database	Data ID
PubChem	49761013

M. W.

335.35174

CAS

1221818-73-0

Similarity

N/A

ID: 63789

tert-butyl 6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate

$$$$ Data

M. F.

C12H20N2O3

Suppliers	Catalog Number
Matrix Scientific	069114

Database	Data ID
PubChem	49760540

M. W.

240.2988

CAS

1221818-45-6

Similarity

N/A

ID: 63790

tert-butyl 4-(5-chloro-1H-indazol-3-yl)piperidine-1-carboxylate

$$$$ Data

M. F.

C17H22ClN3O2

Suppliers	Catalog Number
Matrix Scientific	069115

Database	Data ID
PubChem	49760097

M. W.

335.82848

CAS

1198284-74-0

Similarity

N/A

ID: 63791

4-(pyridine-2-carbonyl)-1H-pyrazol-5-amine

$$$$ Data

M. F.

C9H8N4O

Suppliers	Catalog Number
Matrix Scientific	069116

Database	Data ID
PubChem	14674005

M. W.

188.18602

CAS

931114-35-1

Similarity

N/A

ID: 63792

4-(4-methoxyquinolin-2-yl)benzene-1,2-diol

$$$$ Data

M. F.

C16H13NO3

Suppliers	Catalog Number
Matrix Scientific	069117

Database	Data ID
PubChem	66521723

M. W.

267.27932

CAS

1313738-83-8

Similarity

N/A

ID: 63793

tert-butyl 3-hydroxy-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylate

$$$$ Data

M. F.

C11H17N3O3

Suppliers	Catalog Number
Matrix Scientific	069118

Database	Data ID
PubChem	384447

M. W.

239.27098

CAS

152559-30-3

Similarity

N/A

ID: 63794

tert-butyl 4-{1H-pyrrolo[2,3-b]pyridin-1-yl}piperidine-1-carboxylate

$$$$ Data

M. F.

C17H23N3O2

Suppliers	Catalog Number
Matrix Scientific	069119

Database	Data ID
PubChem	49759111

M. W.

301.38342

CAS

1093759-55-7

Similarity

N/A

ID: 63795

1-tert-butyl 2-methyl (2S)-4-oxopiperidine-1,2-dicarboxylate

$$$$ Data

M. F.

C12H19NO5

Suppliers	Catalog Number
Matrix Scientific	069120

Database	Data ID
PubChem	45790825

M. W.

257.28296

CAS

756486-14-3

Similarity

N/A

ID: 63796

tert-butyl 4-(cyclopropylmethyl)piperidine-1-carboxylate

$$$$ Data

M. F.

C14H25NO2

Suppliers	Catalog Number
Matrix Scientific	069121

Database	Data ID
PubChem	49761294

M. W.

239.3538

CAS

1241725-67-6

Similarity

N/A

ID: 63797

tert-butyl 4-(cyclopropylmethylidene)piperidine-1-carboxylate

$$$$ Data

M. F.

C14H23NO2

Suppliers	Catalog Number
Matrix Scientific	069122

Database	Data ID
PubChem	49761295

M. W.

237.33792

CAS

1241725-69-8

Similarity

N/A

ID: 63798

tert-butyl 4-amino-4-(4-bromophenyl)piperidine-1-carboxylate

$$$$ Data

M. F.

C16H23BrN2O2

Suppliers	Catalog Number
Matrix Scientific	069123

Database	Data ID
PubChem	49760828

M. W.

355.27002

CAS

917925-62-3

Similarity

N/A

ID: 63799

4-(4-bromophenyl)piperidine-4-carboxylic acid hydrochloride

$$$$ Data

M. F.

C12H15BrClNO2

Suppliers	Catalog Number
Matrix Scientific	069124

Database	Data ID
PubChem	49761296

M. W.

320.61

CAS

1241725-63-2

Similarity

N/A

ID: 63800

tert-butyl 7-oxo-1,8-diazaspiro[5.5]undecane-1-carboxylate

$$$$ Data

M. F.

C14H24N2O3

Suppliers	Catalog Number
Matrix Scientific	069125

Database	Data ID
PubChem	49761036

M. W.

268.35196

CAS

1221818-91-2

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