Chembase list of 866358 unique molecular structures

$$$$ Data More

M. F.

C6H13NO

Suppliers	Catalog Number
ChemBridge	4004281
Matrix Scientific	020643
Maybridge	CC29913

Database	Data ID
PubChem	2773210

M. W.

115.17352

CAS

130290-79-8

Similarity

N/A

ID: 18502

3-methylpyridine-4-carbaldehyde

$$$$ Data

M. F.

C7H7NO

Suppliers	Catalog Number
Matrix Scientific	020644
A&J Pharmtech	AJA-O33951

Database	Data ID
PubChem	1501880

M. W.

121.13658

CAS

74663-96-0

Similarity

N/A

ID: 18503

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

$$$$ Data

M. F.

C10H18N4

Suppliers	Catalog Number
Matrix Scientific	020645

Database	Data ID
PubChem	6483869

M. W.

194.27672

CAS

Similarity

N/A

ID: 18504

1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]piperazine

$$$$ Data

M. F.

C11H20N4

Suppliers	Catalog Number
Matrix Scientific	020646

Database	Data ID
PubChem	6483870

M. W.

208.3033

CAS

Similarity

N/A

ID: 18505

3-(oxolan-2-yl)propanoic acid

$$$$ Data

M. F.

C7H12O3

Suppliers	Catalog Number
ChemBridge	4027244
Matrix Scientific	020647
Enamine	EN300-35945

Database	Data ID
PubChem	263161

M. W.

144.16838

CAS

935-12-6

Similarity

N/A

ID: 18506

6-methylimidazo[1,2-a]pyridine-2-carboxylic acid

$$$$ Data More

M. F.

C9H8N2O2

Suppliers	Catalog Number
Sigma Aldrich	CBR00218
ChemBridge	4402936
Alfa Aesar	H35639

Database	Data ID
PubChem	2759863

M. W.

176.17202

CAS

80353-93-1

Similarity

N/A

ID: 18507

(1-methylpiperidin-2-yl)methanamine

$$$$ Data

M. F.

C7H16N2

Suppliers	Catalog Number
ChemBridge	4100051
Matrix Scientific	020649
Maybridge	MO01154

Database	Data ID
PubChem	2794677

M. W.

128.21534

CAS

5298-72-6

Similarity

N/A

ID: 18508

(1-methyl-1H-imidazol-2-yl)methanamine dihydrochloride

$$$$ Data

M. F.

C5H11Cl2N3

Suppliers	Catalog Number
Matrix Scientific	020650

Database	Data ID
PubChem	12147491

M. W.

184.06694

CAS

749875-32-9

Similarity

N/A

ID: 18509

1H,4H-chromeno[4,3-c]pyrazole-3-carboxylic acid

$$$$ Data More

M. F.

C11H8N2O3

Suppliers	Catalog Number
Matrix Scientific	020651
Life Chemicals	F2130-0029
InterBioScreen	BB_SC-5788

Database	Data ID
PubChem	776480

M. W.

216.19282

CAS

Similarity

N/A

ID: 18510

2-(3-phenylpyrrolidin-1-yl)ethan-1-amine

$$$$ Data

M. F.

C12H18N2

Suppliers	Catalog Number
ChemBridge	4002518
Matrix Scientific	020652
A&J Pharmtech	AJA-O30301

Database	Data ID
PubChem	6484111

M. W.

190.28472

CAS

33304-29-9

Similarity

N/A

ID: 18511

3-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propanoic acid

$$$$ Data More

M. F.

C8H11ClN2O2

Suppliers	Catalog Number
Matrix Scientific	020653
Life Chemicals	F1986-0003
InterBioScreen	BB_SC-10594

Database	Data ID
PubChem	3159600

M. W.

202.63814

CAS

890597-34-9

Similarity

N/A

ID: 18512

3-(oxolan-2-ylmethoxy)benzaldehyde

$$$$ Data

M. F.

C12H14O3

Suppliers	Catalog Number
Matrix Scientific	020654

Database	Data ID
PubChem	6484126

M. W.

206.23776

CAS

Similarity

N/A

ID: 18513

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

$$$$ Data More

M. F.

C9H14N2O2

Suppliers	Catalog Number
Sigma Aldrich	CBR00585
ChemBridge	4004175
Matrix Scientific	020655

Database	Data ID
PubChem	6484132

M. W.

182.21966

CAS

956397-13-0

Similarity

N/A

ID: 18514

[3-(4-chlorophenyl)-1H-pyrazol-4-yl]methanamine

$$$$ Data

M. F.

C10H10ClN3

Suppliers	Catalog Number
ChemBridge	4004566
Matrix Scientific	020656

Database	Data ID
PubChem	16767475

M. W.

207.6595

CAS

1020052-19-0

Similarity

N/A

ID: 18515

benzyl[(6-methylpyridin-2-yl)methyl]amine

$$$$ Data

M. F.

C14H16N2

Suppliers	Catalog Number
ChemBridge	4010340
Matrix Scientific	020658
Enamine	EN300-105931

Database	Data ID
PubChem	6484155

M. W.

212.29024

CAS

101938-10-7

Similarity

N/A

ID: 18516

[(3-methylpyridin-2-yl)methyl](pyridin-3-ylmethyl)amine

$$$$ Data

M. F.

C13H15N3

Suppliers	Catalog Number
Matrix Scientific	020659

Database	Data ID
PubChem	6484157

M. W.

213.2783

CAS

Similarity

N/A

ID: 18517

2-(4-hydroxyphenyl)-2-(1H-1,2,3,4-tetrazol-1-yl)acetic acid

$$$$ Data

M. F.

C9H8N4O3

Suppliers	Catalog Number
Matrix Scientific	020660

Database	Data ID
PubChem	6484164

M. W.

220.18482

CAS

Similarity

N/A

ID: 18518

1,2,5,7-tetramethyl-1H-indole-3-carbaldehyde

$$$$ Data

M. F.

C13H15NO

Suppliers	Catalog Number
Matrix Scientific	020661

Database	Data ID
PubChem	6484171

M. W.

201.2643

CAS

Similarity

N/A

ID: 18519

2,4,7-trimethyl-1H-indole-3-carbaldehyde

$$$$ Data

M. F.

C12H13NO

Suppliers	Catalog Number
Matrix Scientific	020662

Database	Data ID
PubChem	6484172

M. W.

187.23772

CAS

Similarity

N/A

ID: 18520

2,4,6-trimethyl-1H-indole-3-carbaldehyde

$$$$ Data

M. F.

C12H13NO

Suppliers	Catalog Number
Matrix Scientific	020663

Database	Data ID
PubChem	6484173

M. W.

187.23772

CAS

Similarity

N/A

ID: 18521

1-[2-(piperidin-2-yl)ethyl]azepane

$$$$ Data

M. F.

C13H26N2

Suppliers	Catalog Number
Matrix Scientific	020664
InterBioScreen	BB_SC-3345

Database	Data ID
PubChem	6484180

M. W.

210.35894

CAS

Similarity

N/A

ID: 18522

6-amino-3,4-dihydroquinazolin-4-one

$$$$ Data

M. F.

C8H7N3O

Suppliers	Catalog Number
Matrix Scientific	020665
Enamine	EN300-58987

Database	Data ID
PubChem	334012

M. W.

161.16068

CAS

17329-31-6

Similarity

N/A

ID: 18523

3-(piperidin-4-yl)propan-1-ol

$$$$ Data

M. F.

C8H17NO

Suppliers	Catalog Number
Matrix Scientific	020666
Bide Pharmatech	BD148236

Database	Data ID
PubChem	81497

M. W.

143.22668

CAS

7037-49-2

Similarity

N/A

ID: 18524

4-[2-(4-methoxyphenyl)ethyl]piperidine

$$$$ Data

M. F.

C14H21NO

Suppliers	Catalog Number
ChemBridge	3001741
Matrix Scientific	020667

Database	Data ID
PubChem	4341901

M. W.

219.32264

CAS

654662-60-9

Similarity

N/A

ID: 18525

5-(4-fluorophenyl)-1-methyl-1H-pyrazole-3-carboxylic acid

$$$$ Data

M. F.

C11H9FN2O2

Suppliers	Catalog Number
Matrix Scientific	020668

Database	Data ID
PubChem	6484191

M. W.

220.1997632

CAS

Similarity

N/A

ID: 18526

2,6-dimethoxyquinoline-3-carbaldehyde

$$$$ Data

M. F.

C12H11NO3

Suppliers	Catalog Number
Matrix Scientific	020669

Database	Data ID
PubChem	6484203

M. W.

217.22064

CAS

Similarity

N/A

ID: 18527

(1-ethylpiperidin-2-yl)methanamine

$$$$ Data

M. F.

C8H18N2

Suppliers	Catalog Number
ChemBridge	4014964
Matrix Scientific	020670
Enamine	EN300-74195

Database	Data ID
PubChem	3015941

M. W.

142.24192

CAS

37782-46-0

Similarity

N/A

ID: 18528

8-methylimidazo[1,2-a]pyridine-2-carboxylic acid

$$$$ Data

M. F.

C9H8N2O2

Suppliers	Catalog Number
ChemBridge	4402937
Matrix Scientific	020671
Bide Pharmatech	BD29826

Database	Data ID
PubChem	2759860

M. W.

176.17202

CAS

88751-05-7

Similarity

N/A

ID: 18529

5-methylimidazo[1,2-a]pyridine-2-carboxylic acid

$$$$ Data

M. F.

C9H8N2O2

Suppliers	Catalog Number
ChemBridge	4402939
Matrix Scientific	020672
Bide Pharmatech	BD29827

Database	Data ID
PubChem	2062169

M. W.

176.17202

CAS

88751-06-8

Similarity

N/A

ID: 18530

6-bromopyrazolo[1,5-a]pyrimidine-2-carboxylic acid

$$$$ Data

M. F.

C7H4BrN3O2

Suppliers	Catalog Number
ChemBridge	5340843
Matrix Scientific	020673
Enamine	EN300-92590

Database	Data ID
PubChem	771938

M. W.

242.02956

CAS

300717-72-0

Similarity

N/A

ID: 18531

5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid

$$$$ Data

M. F.

C12H17NO3

Suppliers	Catalog Number
ChemBridge	7999750
Matrix Scientific	020675

Database	Data ID
PubChem	6490300

M. W.

223.26828

CAS

883543-32-6

Similarity

N/A

ID: 18532

5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxylic acid

$$$$ Data

M. F.

C11H16N2O3

Suppliers	Catalog Number
ChemBridge	7993944
Matrix Scientific	020676

Database	Data ID
PubChem	5108469

M. W.

224.25634

CAS

865470-86-6

Similarity

N/A

ID: 18533

ethyl 2-aminothiophene-3-carboxylate

$$$$ Data More

M. F.

C7H9NO2S

Suppliers	Catalog Number
ChemBridge	3005228
Matrix Scientific	020677
Apollo Scientific	OR5684

Database	Data ID
PubChem	1988156

M. W.

171.21686

CAS

31891-06-2

Similarity

N/A

ID: 18534

3-(4-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine

$$$$ Data

M. F.

C16H18FNO

Suppliers	Catalog Number
Matrix Scientific	020678

Database	Data ID
PubChem	4661255

M. W.

259.3186232

CAS

Similarity

N/A

ID: 18535

[4-(piperidin-1-ylmethyl)phenyl]methanamine

$$$$ Data

M. F.

C13H20N2

Suppliers	Catalog Number
Matrix Scientific	020679
Apollo Scientific	OR3841
Enamine	EN300-14700

Database	Data ID
PubChem	5200292

M. W.

204.3113

CAS

91271-81-7

Similarity

N/A

ID: 18536

4-(morpholin-4-ylmethyl)-1,3-thiazol-2-amine

$$$$ Data

M. F.

C8H13N3OS

Suppliers	Catalog Number
Matrix Scientific	020680
Life Chemicals	F2158-0442
Enamine	EN300-10114

Database	Data ID
PubChem	2125344

M. W.

199.27332

CAS

3008-61-5

Similarity

N/A

ID: 18537

6-cyclopropyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

$$$$ Data

M. F.

C13H15N3O2

Suppliers	Catalog Number
Matrix Scientific	020681
InterBioScreen	BB_SC-2151
Enamine	EN300-11844

Database	Data ID
PubChem	2525992

M. W.

245.2771

CAS

Similarity

N/A

ID: 18538

[5-(2-amino-4-methylphenyl)furan-2-yl]methanol

$$$$ Data

M. F.

C12H13NO2

Suppliers	Catalog Number
Matrix Scientific	020682

Database	Data ID
PubChem	6493172

M. W.

203.23712

CAS

Similarity

N/A

ID: 18539

4H,5H,6H,7H,8H-cyclohepta[d][1,3]thiazol-2-amine

$$$$ Data More

M. F.

C8H12N2S

Suppliers	Catalog Number
Sigma Aldrich	CBR00338
ChemBridge	4027554
Matrix Scientific	020683

Database	Data ID
PubChem	4362935

M. W.

168.25928

CAS

14292-44-5

Similarity

N/A

ID: 18540

2-(1,2-dimethyl-1H-indol-3-yl)ethan-1-amine hydrochloride

$$$$ Data

M. F.

C12H17ClN2

Suppliers	Catalog Number
Matrix Scientific	020684

Database	Data ID
PubChem	6917140

M. W.

224.72978

CAS

Similarity

N/A

ID: 18541

3-[(dimethylamino)methyl]-4-ethoxybenzaldehyde

$$$$ Data

M. F.

C12H17NO2

Suppliers	Catalog Number
ChemBridge	4002335
Matrix Scientific	020685

Database	Data ID
PubChem	6484651

M. W.

207.26888

CAS

883549-69-7

Similarity

N/A

ID: 18542

2-(4-methoxy-3-methylphenyl)ethan-1-amine

$$$$ Data

M. F.

C10H15NO

Suppliers	Catalog Number
Matrix Scientific	020686

Database	Data ID
PubChem	6484660

M. W.

165.2322

CAS

18149-08-1

Similarity

N/A

ID: 18543

3-methylquinoxaline-2-carboxylic acid

$$$$ Data More

M. F.

C10H8N2O2

Suppliers	Catalog Number
Sigma Aldrich	32862
Matrix Scientific	020687
Key Organics	AG-0701

Database	Data ID
PubChem	6484678

M. W.

188.18272

CAS

74003-63-7

Similarity

N/A

ID: 18544

1,2,3-trimethyl-1H-indol-5-amine

$$$$ Data

M. F.

C11H14N2

Suppliers	Catalog Number
Matrix Scientific	020688

Database	Data ID
PubChem	6495993

M. W.

174.24226

CAS

143797-94-8

Similarity

N/A

ID: 18545

4-amino-1-methyl-1H-pyrazole-5-carboxamide

$$$$ Data

M. F.

C5H8N4O

Suppliers	Catalog Number
ChemBridge	4034516
Matrix Scientific	020689

Database	Data ID
PubChem	6485342

M. W.

140.14322

CAS

92534-73-1

Similarity

N/A

ID: 18546

5-(propan-2-yl)thiophene-3-carboxylic acid

$$$$ Data

M. F.

C8H10O2S

Suppliers	Catalog Number
ChemBridge	3007509
Matrix Scientific	020691

Database	Data ID
PubChem	3525080

M. W.

170.2288

CAS

123418-51-9

Similarity

N/A

ID: 18547

5-methyl-4-phenylthiophene-3-carboxylic acid

$$$$ Data

M. F.

C12H10O2S

Suppliers	Catalog Number
ChemBridge	3007539
Matrix Scientific	020692

Database	Data ID
PubChem	3735415

M. W.

218.2716

CAS

557792-56-0

Similarity

N/A

ID: 18548

2-(2,3-dimethylphenoxy)-2-methylpropanoic acid

$$$$ Data

M. F.

C12H16O3

Suppliers	Catalog Number
ChemBridge	3013925
Matrix Scientific	020693

Database	Data ID
PubChem	1532013

M. W.

208.25364

CAS

667440-80-4

Similarity

N/A

ID: 18549

1-[(trimethyl-1H-pyrazol-4-yl)methyl]piperazine dihydrochloride

$$$$ Data

M. F.

C11H22Cl2N4

Suppliers	Catalog Number
Matrix Scientific	020695

Database	Data ID
PubChem	45158229

M. W.

281.22518

CAS

Similarity

N/A

ID: 18550

2-chloro-N-(1,3-dimethyl-1H-pyrazol-4-yl)acetamide

$$$$ Data

M. F.

C7H10ClN3O

Suppliers	Catalog Number
ChemBridge	4029832
Matrix Scientific	020696

Database	Data ID
PubChem	6485357

M. W.

187.6268

CAS

957510-90-6

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