Chembase list of 866358 unique molecular structures

2-{3-[(methylamino)methyl]piperidin-1-yl}ethan-1-ol

$$$$ Data

M. F.

C9H20N2O

Suppliers	Catalog Number
Sigma Aldrich	CBR00394
ChemBridge	4009637
Matrix Scientific	062376

Database	Data ID
PubChem	45791048

M. W.

172.2679

CAS

915919-93-6

Similarity

N/A

ID: 57202

2-hydrazinyl-4-methylpyridine

$$$$ Data More

M. F.

C6H9N3

Suppliers	Catalog Number
ChemBridge	4085298
Matrix Scientific	062377
Enamine	EN300-56339

Database	Data ID
PubChem	12266739

M. W.

123.15576

CAS

4931-00-4

Similarity

N/A

ID: 57203

2-hydrazinyl-3-methylpyridine

$$$$ Data

M. F.

C6H9N3

Suppliers	Catalog Number
ChemBridge	4034219
Matrix Scientific	062378

Database	Data ID
PubChem	250843

M. W.

123.15576

CAS

4930-99-8

Similarity

N/A

ID: 57204

N-methylpyrrolidine-3-carboxamide

$$$$ Data

M. F.

C6H12N2O

Suppliers	Catalog Number
Sigma Aldrich	CBR00171
ChemBridge	4029785
Matrix Scientific	062379

Database	Data ID
PubChem	23090433

M. W.

128.17228

CAS

1007870-02-1

Similarity

N/A

ID: 57205

[3-(1H-pyrazol-1-yl)phenyl]boronic acid

$$$$ Data More

M. F.

C9H9BN2O2

Suppliers	Catalog Number
ChemBridge	4009715
Matrix Scientific	062380
Bide Pharmatech	BD28820

Database	Data ID
PubChem	16640530

M. W.

187.99096

CAS

476620-22-1

Similarity

N/A

ID: 57206

[4-(3,5-dimethyl-1H-pyrazol-1-yl)phenyl]boronic acid

$$$$ Data

M. F.

C11H13BN2O2

Suppliers	Catalog Number
Matrix Scientific	062381
Enamine	EN300-92482
Bide Pharmatech	BD230780

Database	Data ID
PubChem	16640532

M. W.

216.04412

CAS

1025495-85-5

Similarity

N/A

ID: 57207

[4-(1H-pyrazol-1-yl)phenyl]boronic acid

$$$$ Data

M. F.

C9H9BN2O2

Suppliers	Catalog Number
ChemBridge	4011481
Matrix Scientific	062382
A&J Pharmtech	AJA-O30320

Database	Data ID
PubChem	16640552

M. W.

187.99096

CAS

891270-35-2

Similarity

N/A

ID: 57208

quinolin-3-ylmethanol

$$$$ Data

M. F.

C10H9NO

Suppliers	Catalog Number
Matrix Scientific	062383
Enamine	EN300-72080

Database	Data ID
PubChem	12662983

M. W.

159.18456

CAS

13669-51-7

Similarity

N/A

ID: 57209

methyl(quinolin-5-ylmethyl)amine

$$$$ Data

M. F.

C11H12N2

Suppliers	Catalog Number
ChemBridge	4102203
Matrix Scientific	062384
A&J Pharmtech	AJA-O25640

Database	Data ID
PubChem	4715206

M. W.

172.22638

CAS

120139-90-4

Similarity

N/A

ID: 57210

(quinolin-5-yl)methanamine

$$$$ Data

M. F.

C10H10N2

Suppliers	Catalog Number
Matrix Scientific	062385
A&J Pharmtech	AJA-O30265

Database	Data ID
PubChem	12018693

M. W.

158.1998

CAS

58123-57-2

Similarity

N/A

ID: 57211

(quinolin-6-yl)boronic acid

$$$$ Data More

M. F.

C9H8BNO2

Suppliers	Catalog Number
ChemBridge	4202093
Alfa Aesar	H52867
Matrix Scientific	062386

Database	Data ID
PubChem	4192671

M. W.

172.97632

CAS

376581-24-7

Similarity

N/A

ID: 57212

methyl[(quinolin-6-yl)methyl]amine

$$$$ Data More

M. F.

C11H12N2

Suppliers	Catalog Number
Sigma Aldrich	CBR00241
ChemBridge	4102204
Matrix Scientific	062387

Database	Data ID
PubChem	6483903

M. W.

172.22638

CAS

179873-36-0

Similarity

N/A

ID: 57213

quinolin-6-ylmethanamine

$$$$ Data

M. F.

C10H10N2

Suppliers	Catalog Number
ChemBridge	4004342
Matrix Scientific	062388
Enamine	EN300-42165

Database	Data ID
PubChem	1514384

M. W.

158.1998

CAS

99071-54-2

Similarity

N/A

ID: 57214

quinolin-6-ylmethanol

$$$$ Data More

M. F.

C10H9NO

Suppliers	Catalog Number
Matrix Scientific	062389
Maybridge	CC04509
Enamine	EN300-69002

Database	Data ID
PubChem	1514385

M. W.

159.18456

CAS

100516-88-9

Similarity

N/A

ID: 57215

methyl[(quinolin-8-yl)methyl]amine

$$$$ Data

M. F.

C11H12N2

Suppliers	Catalog Number
ChemBridge	4102205
Matrix Scientific	062390
A&J Pharmtech	AJA-O30205

Database	Data ID
PubChem	12293127

M. W.

172.22638

CAS

60843-63-2

Similarity

N/A

ID: 57216

quinolin-8-ylmethanamine

$$$$ Data

M. F.

C10H10N2

Suppliers	Catalog Number
Matrix Scientific	062391
TRC	Q700700
Enamine	EN300-59246

Database	Data ID
PubChem	15079229

M. W.

158.1998

CAS

15402-71-8

Similarity

N/A

ID: 57217

(isoquinolin-5-yl)boronic acid

$$$$ Data More

M. F.

C9H8BNO2

Suppliers	Catalog Number
Sigma Aldrich	686867
ChemBridge	4002849
Alfa Aesar	H53230

Database	Data ID
PubChem	599474

M. W.

172.97632

CAS

371766-08-4

Similarity

N/A

ID: 57218

isoquinoline-5-carbaldehyde

$$$$ Data More

M. F.

C10H7NO

Suppliers	Catalog Number
Sigma Aldrich	675180
ChemBridge	4301909
Alfa Aesar	L19636

Database	Data ID
PubChem	7016853

M. W.

157.16868

CAS

80278-67-7

Similarity

N/A

ID: 57219

[4-(1H-pyrazol-1-ylmethyl)phenyl]methanol

$$$$ Data

M. F.

C11H12N2O

Suppliers	Catalog Number
Matrix Scientific	062394
Maybridge	CC56009

Database	Data ID
PubChem	16640562

M. W.

188.22578

CAS

160388-55-6

Similarity

N/A

ID: 57220

methyl[1-(3-methylpyridin-2-yl)propan-2-yl]amine

$$$$ Data

M. F.

C10H16N2

Suppliers	Catalog Number
ChemBridge	4016109
Matrix Scientific	062395

Database	Data ID
PubChem	16640568

M. W.

164.24744

CAS

937638-36-3

Similarity

N/A

ID: 57221

1-(4-methylpyridin-2-yl)propan-2-one

$$$$ Data

M. F.

C9H11NO

Suppliers	Catalog Number
ChemBridge	4002456
Matrix Scientific	062396

Database	Data ID
PubChem	14472969

M. W.

149.18974

CAS

42508-80-5

Similarity

N/A

ID: 57222

1-(6-methylpyridin-2-yl)propan-2-ol

$$$$ Data

M. F.

C9H13NO

Suppliers	Catalog Number
Matrix Scientific	062397

Database	Data ID
PubChem	427149

M. W.

151.20562

CAS

Similarity

N/A

ID: 57223

methyl[1-(pyrazin-2-yl)propan-2-yl]amine

$$$$ Data

M. F.

C8H13N3

Suppliers	Catalog Number
ChemBridge	4016114
Matrix Scientific	062398

Database	Data ID
PubChem	16640583

M. W.

151.20892

CAS

937642-61-0

Similarity

N/A

ID: 57224

1-(pyrazin-2-yl)propan-2-ol

$$$$ Data

M. F.

C7H10N2O

Suppliers	Catalog Number
Matrix Scientific	062399

Database	Data ID
PubChem	16640585

M. W.

138.1671

CAS

Similarity

N/A

ID: 57225

[1-(propan-2-yl)piperidin-4-yl]methanamine

$$$$ Data

M. F.

C9H20N2

Suppliers	Catalog Number
ChemBridge	4003944
Matrix Scientific	062400
Life Chemicals	F2187-0087

Database	Data ID
PubChem	7258859

M. W.

156.2685

CAS

132740-52-4

Similarity

N/A

ID: 57226

methyl[3-(1H-pyrazol-4-yl)propyl]amine

$$$$ Data

M. F.

C7H13N3

Suppliers	Catalog Number
Matrix Scientific	062401

Database	Data ID
PubChem	16640597

M. W.

139.19822

CAS

Similarity

N/A

ID: 57227

(1-benzothiophen-7-yl)boronic acid

$$$$ Data

M. F.

C8H7BO2S

Suppliers	Catalog Number
ChemBridge	4202091
Matrix Scientific	062402
A&J Pharmtech	AJA-O30434

Database	Data ID
PubChem	16640528

M. W.

178.01598

CAS

628692-17-1

Similarity

N/A

ID: 57228

[3-(1H-pyrazol-5-yl)phenyl]boronic acid

$$$$ Data

M. F.

C9H9BN2O2

Suppliers	Catalog Number
ChemBridge	4012678
Matrix Scientific	062403

Database	Data ID
PubChem	25248075

M. W.

187.99096

CAS

1238377-35-9

Similarity

N/A

ID: 57229

[4-methyl-2-(1H-pyrazol-1-yl)phenyl]boronic acid

$$$$ Data

M. F.

C10H11BN2O2

Suppliers	Catalog Number
ChemBridge	4015826
Matrix Scientific	062404

Database	Data ID
PubChem	25248076

M. W.

202.01754

CAS

1287753-43-8

Similarity

N/A

ID: 57230

[2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-methylphenyl]boronic acid

$$$$ Data

M. F.

C12H15BN2O2

Suppliers	Catalog Number
ChemBridge	4015830
Matrix Scientific	062405

Database	Data ID
PubChem	25248077

M. W.

230.0707

CAS

1287753-41-6

Similarity

N/A

ID: 57231

[4-methoxy-2-(1H-pyrazol-1-yl)phenyl]boronic acid

$$$$ Data

M. F.

C10H11BN2O3

Suppliers	Catalog Number
ChemBridge	4015829
Matrix Scientific	062406

Database	Data ID
PubChem	45791109

M. W.

218.01694

CAS

1287753-34-7

Similarity

N/A

ID: 57232

1-(3-methyl-1H-pyrazol-5-yl)propan-2-amine

$$$$ Data

M. F.

C7H13N3

Suppliers	Catalog Number
ChemBridge	4003531
Matrix Scientific	062407
Enamine	EN300-111961

Database	Data ID
PubChem	5102523

M. W.

139.19822

CAS

1025087-55-1

Similarity

N/A

ID: 57233

1-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]piperazine

$$$$ Data

M. F.

C14H18N4

Suppliers	Catalog Number
Matrix Scientific	062408

Database	Data ID
PubChem	1480542

M. W.

242.31952

CAS

1025087-55-1

Similarity

N/A

ID: 57234

2,3-dihydro-1-benzofuran-7-carboxylic acid

$$$$ Data More

M. F.

C9H8O3

Suppliers	Catalog Number
Matrix Scientific	062409
Maybridge	CC00901
Apollo Scientific	OR101066

Database	Data ID
PubChem	2795014

M. W.

164.15802

CAS

35700-40-4

Similarity

N/A

ID: 57235

2-methyl-4-(1H-pyrazol-1-yl)benzaldehyde

$$$$ Data

M. F.

C11H10N2O

Suppliers	Catalog Number
Sigma Aldrich	CBR00476
ChemBridge	4013219
Matrix Scientific	062410

Database	Data ID
PubChem	28063894

M. W.

186.2099

CAS

1015845-89-2

Similarity

N/A

ID: 57236

[4-(butan-2-yl)phenyl]boronic acid

$$$$ Data More

M. F.

C10H15BO2

Suppliers	Catalog Number
ChemBridge	4030859
Alfa Aesar	H53358
Matrix Scientific	062411

Database	Data ID
PubChem	3690874

M. W.

178.0359

CAS

850568-56-8

Similarity

N/A

ID: 57237

(1-cyclopropylethyl)(methyl)amine

$$$$ Data

M. F.

C6H13N

Suppliers	Catalog Number
Matrix Scientific	062412
Enamine	EN300-37161

Database	Data ID
PubChem	16772299

M. W.

99.17412

CAS

Similarity

N/A

ID: 57238

(1-cyclopropylethyl)(ethyl)amine

$$$$ Data

M. F.

C7H15N

Suppliers	Catalog Number
Matrix Scientific	062413

Database	Data ID
PubChem	24257721

M. W.

113.2007

CAS

Similarity

N/A

ID: 57239

1-(1-isothiocyanatoethyl)adamantane

$$$$ Data

M. F.

C13H19NS

Suppliers	Catalog Number
Matrix Scientific	062414

Database	Data ID
PubChem	3370241

M. W.

221.36166

CAS

Similarity

N/A

ID: 57240

ethyl 2-isothiocyanato-2-phenylacetate

$$$$ Data

M. F.

C11H11NO2S

Suppliers	Catalog Number
Matrix Scientific	062415

Database	Data ID
PubChem	15811506

M. W.

221.27554

CAS

Similarity

N/A

ID: 57241

methyl 3-(isothiocyanatomethyl)benzoate

$$$$ Data

M. F.

C10H9NO2S

Suppliers	Catalog Number
Matrix Scientific	062416

Database	Data ID
PubChem	46779826

M. W.

207.24896

CAS

Similarity

N/A

ID: 57242

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

$$$$ Data

M. F.

C5H7NO2S2

Suppliers	Catalog Number
Matrix Scientific	062417
Life Chemicals	F1294-0053
InterBioScreen	BB_SC-1747

Database	Data ID
PubChem	2772221

M. W.

177.24458

CAS

85109-44-0

Similarity

N/A

ID: 57243

(E)-(ethyl N-(2-cyanocyclopent-1-en-1-yl)carboximidate)

$$$$ Data

M. F.

C9H12N2O

Suppliers	Catalog Number
Matrix Scientific	062418

Database	Data ID
PubChem	12194378

M. W.

164.20438

CAS

Similarity

N/A

ID: 57244

[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxylic acid

$$$$ Data More

M. F.

C6H4N4O2

Suppliers	Catalog Number
Sigma Aldrich	CBR00314
ChemBridge	4033641
Matrix Scientific	062419

Database	Data ID
PubChem	37134651

M. W.

164.12156

CAS

120613-46-9

Similarity

N/A

ID: 57245

[1,2,3,4]tetrazolo[1,5-a]pyridine-5-carboxylic acid

$$$$ Data

M. F.

C6H4N4O2

Suppliers	Catalog Number
ChemBridge	4039942
Matrix Scientific	062420
InterBioScreen	BB_SC-8146

Database	Data ID
PubChem	346462

M. W.

164.12156

CAS

7477-12-5

Similarity

N/A

ID: 57246

[1,2,3,4]tetrazolo[1,5-a]pyridin-8-amine

$$$$ Data

M. F.

C5H5N5

Suppliers	Catalog Number
ChemBridge	4034819
Matrix Scientific	062421
InterBioScreen	BB_SC-8908

Database	Data ID
PubChem	243016

M. W.

135.1267

CAS

73721-28-5

Similarity

N/A

ID: 57247

4-amino-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C7H8N4S2

Suppliers	Catalog Number
Matrix Scientific	062422

Database	Data ID
PubChem	24206143

M. W.

212.29522

CAS

Similarity

N/A

ID: 57248

4-amino-5-[(3,5-difluorophenyl)methyl]-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C9H8F2N4S

Suppliers	Catalog Number
Matrix Scientific	062423

Database	Data ID
PubChem	46779827

M. W.

242.2484264

CAS

Similarity

N/A

ID: 57249

4-amino-5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C6H6N6S

Suppliers	Catalog Number
Matrix Scientific	062424
InterBioScreen	BB_SC-7344

Database	Data ID
PubChem	3005932

M. W.

194.21704

CAS

124991-69-1

Similarity

N/A

ID: 57250

4-amino-5-(propan-2-yl)-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C5H10N4S

Suppliers	Catalog Number
Matrix Scientific	062425
InterBioScreen	BB_SC-6095
Enamine	EN300-04617

Database	Data ID
PubChem	2389277

M. W.

158.2247

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