Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C8H10BNO4

Suppliers	Catalog Number
Apollo Scientific	OR9490

Database	Data ID
PubChem	44119798

M. W.

194.9803

CAS

Similarity

N/A

ID: 92752

1-(4-methoxyphenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile

$$$$ Data

M. F.

C13H10N2O2

Suppliers	Catalog Number
Apollo Scientific	OR9491

Database	Data ID
PubChem	26967743

M. W.

226.2307

CAS

929000-87-3

Similarity

N/A

ID: 92753

1-[(2R,4S,5R)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-hydroxyoxolan-2-...

$$$$ Data

M. F.

C31H32N2O7

Suppliers	Catalog Number
Sigma Aldrich	D8781 D7537 360139 (more...)
Alfa Aesar	44815
Apollo Scientific	OR9495

Database	Data ID
PubChem	162419

M. W.

544.59498

CAS

40615-39-2

Similarity

N/A

ID: 92754

1-(4-methoxyphenyl)-1H-pyrazole

$$$$ Data

M. F.

C10H10N2O

Suppliers	Catalog Number
Apollo Scientific	OR9496
Enamine	EN300-81895
A&J Pharmtech	AJA-O3410

Database	Data ID
PubChem	12238131

M. W.

174.1992

CAS

35715-67-4

Similarity

N/A

ID: 92755

[(2R,3R,4S,5S,6R)-3,4,6-tris(acetyloxy)-5-(benzyloxy)oxan-2-yl]methyl acetate

$$$$ Data

M. F.

C21H26O10

Suppliers	Catalog Number
Apollo Scientific	OR9500T
TRC	B295000

Database	Data ID
PubChem	12775635

M. W.

438.42514

CAS

80779-87-9

Similarity

N/A

ID: 92756

(2-bromo-3-chloropyridin-4-yl)boronic acid

$$$$ Data

M. F.

C5H4BBrClNO2

Suppliers	Catalog Number
Apollo Scientific	OR9502

Database	Data ID
PubChem	17750218

M. W.

236.25876

CAS

Similarity

N/A

ID: 92757

2-(4-chlorobenzenesulfonyl)-2-(pyridin-3-yl)ethan-1-amine

$$$$ Data

M. F.

C13H13ClN2O2S

Suppliers	Catalog Number
Apollo Scientific	OR9503

Database	Data ID
PubChem	16642166

M. W.

296.77252

CAS

Similarity

N/A

ID: 92758

(2R)-2-amino-3-(4-nitrophenyl)propanoic acid

$$$$ Data

M. F.

C9H10N2O4

Suppliers	Catalog Number
Alfa Aesar	H26959
Apollo Scientific	OR9505
TRC	N502720

Database	Data ID
PubChem	679497

M. W.

210.1867

CAS

56613-61-7

Similarity

N/A

ID: 92759

(2S)-3-(4-iodophenyl)-2-formamidopropanoic acid

$$$$ Data

M. F.

C10H10INO3

Suppliers	Catalog Number
Apollo Scientific	OR9507

Database	Data ID
PubChem	26967740

M. W.

319.09577

CAS

Similarity

N/A

ID: 92760

2-(benzyloxy)-1-methoxy-4-[(E)-2-nitroethenyl]benzene

$$$$ Data

M. F.

C16H15NO4

Suppliers	Catalog Number
Sigma Aldrich	392812
Apollo Scientific	OR9508
TRC	B286450

Database	Data ID
PubChem	688198

M. W.

285.2946

CAS

63909-29-5

Similarity

N/A

ID: 92761

(1s,3s,5R,7S)-3-aminoadamantan-1-ol

$$$$ Data

M. F.

C10H17NO

Suppliers	Catalog Number
Apollo Scientific	OR9509

Database	Data ID
PubChem	796820

M. W.

167.24808

CAS

702-82-9

Similarity

N/A

ID: 92762

1,3-dimethanesulfonylbenzene

$$$$ Data

M. F.

C8H10O4S2

Suppliers	Catalog Number
Apollo Scientific	OR9510

Database	Data ID
PubChem	12719221

M. W.

234.2926

CAS

Similarity

N/A

ID: 92763

3-phenylprop-2-enal

$$$$ Data More

M. F.

C9H8O

Suppliers	Catalog Number
Sigma Aldrich	C80687 239968 W228605 (more...)
BioBioPha	BBP01535
MP Biomedicals	02150690

Database	Data ID
Wikipedia	Cinnamaldehyde
PubChem	637511

M. W.

132.15922

CAS

104-55-2

Similarity

N/A

ID: 92764

N'-(3-nitropyridin-4-yl)acetohydrazide

$$$$ Data

M. F.

C7H8N4O3

Suppliers	Catalog Number
Apollo Scientific	OR9519

Database	Data ID
PubChem	3851780

M. W.

196.16342

CAS

Similarity

N/A

ID: 92765

2-methoxy-5-methyl-1,3-dinitrobenzene

$$$$ Data

M. F.

C8H8N2O5

Suppliers	Catalog Number
Apollo Scientific	OR9520

Database	Data ID
PubChem	259649

M. W.

212.15952

CAS

29455-11-6

Similarity

N/A

ID: 92766

2-methylimidazo[1,2-a]pyridine-3-carbohydrazide

$$$$ Data

M. F.

C9H10N4O

Suppliers	Catalog Number
ChemBridge	4035854
Apollo Scientific	OR9522
Enamine	EN300-03645

Database	Data ID
PubChem	700959

M. W.

190.2019

CAS

144835-67-6

Similarity

N/A

ID: 92767

3,5-dinitropyridine-2,6-diamine

$$$$ Data

M. F.

C5H5N5O4

Suppliers	Catalog Number
Apollo Scientific	OR9523
Bide Pharmatech	BD230871

Database	Data ID
PubChem	542959

M. W.

199.1243

CAS

34981-11-8

Similarity

N/A

ID: 92768

1-chloro-2,5-dimethyl-4-nitrobenzene

$$$$ Data

M. F.

C8H8ClNO2

Suppliers	Catalog Number
Apollo Scientific	OR9524

Database	Data ID
PubChem	252793

M. W.

185.60762

CAS

34633-69-7

Similarity

N/A

ID: 92769

(1-chloroethyl)benzene

$$$$ Data More

M. F.

C8H9Cl

Suppliers	Catalog Number
MP Biomedicals	05214272
Apollo Scientific	OR9525
Enamine	EN300-22516

Database	Data ID
PubChem	12648

M. W.

140.61006

CAS

672-65-1

Similarity

N/A

ID: 92770

2-(2-formyl-4-nitrophenoxy)acetic acid

$$$$ Data

M. F.

C9H7NO6

Suppliers	Catalog Number
Apollo Scientific	OR9527

Database	Data ID
PubChem	247896

M. W.

225.15498

CAS

Similarity

N/A

ID: 92771

N-(2-ethoxy-4-nitrophenyl)acetamide

$$$$ Data

M. F.

C10H12N2O4

Suppliers	Catalog Number
Apollo Scientific	OR9529
A&J Pharmtech	AJA-O40287

Database	Data ID
PubChem	2877953

M. W.

224.21328

CAS

116496-76-5

Similarity

N/A

ID: 92772

4-ethoxy-3-nitropyridine

$$$$ Data

M. F.

C7H8N2O3

Suppliers	Catalog Number
ChemBridge	4036817
Apollo Scientific	OR9530
Bide Pharmatech	BD10565

Database	Data ID
PubChem	356305

M. W.

168.15002

CAS

1796-84-5

Similarity

N/A

ID: 92773

2-(methylsulfanyl)-6-phenylpyrimidin-4-ol

$$$$ Data

M. F.

C11H10N2OS

Suppliers	Catalog Number
Apollo Scientific	OR9532

Database	Data ID
PubChem	241164

M. W.

218.2749

CAS

Similarity

N/A

ID: 92774

4-chloro-2-nitro-N-(propan-2-yl)aniline

$$$$ Data

M. F.

C9H11ClN2O2

Suppliers	Catalog Number
Maybridge	SPB02520
Apollo Scientific	OR9533

Database	Data ID
PubChem	2736692

M. W.

214.64884

CAS

89659-66-5

Similarity

N/A

ID: 92775

methyl 3-(benzyloxy)-4-bromobenzoate

$$$$ Data

M. F.

C15H13BrO3

Suppliers	Catalog Number
Apollo Scientific	OR9535

Database	Data ID
PubChem	25306955

M. W.

321.16592

CAS

17054-26-1

Similarity

N/A

ID: 92776

2-chloroprop-2-en-1-ol

$$$$ Data

M. F.

C3H5ClO

Suppliers	Catalog Number
Sigma Aldrich	363901
Apollo Scientific	OR9536

Database	Data ID
PubChem	80076

M. W.

92.5242

CAS

5976-47-6

Similarity

N/A

ID: 92777

3-bromo-5-chloro-1,2,4-thiadiazole

$$$$ Data

M. F.

C2BrClN2S

Suppliers	Catalog Number
Apollo Scientific	OR9538

Database	Data ID
PubChem	2725053

M. W.

199.4568

CAS

37159-60-7

Similarity

N/A

ID: 92778

{3-[(3-chloropropyl)carbamoyl]phenyl}boronic acid

$$$$ Data

M. F.

C10H13BClNO3

Suppliers	Catalog Number
Alfa Aesar	H52461
Apollo Scientific	OR9539

Database	Data ID
PubChem	44119850

M. W.

241.47912

CAS

874288-10-5

Similarity

N/A

ID: 92779

methyl 4-bromo-3-methoxybenzoate

$$$$ Data

M. F.

C9H9BrO3

Suppliers	Catalog Number
Apollo Scientific	OR9540
Bide Pharmatech	BD138929

Database	Data ID
PubChem	14570117

M. W.

245.06996

CAS

17100-63-9

Similarity

N/A

ID: 92780

3-(benzyloxy)-4-bromobenzoic acid

$$$$ Data

M. F.

C14H11BrO3

Suppliers	Catalog Number
Apollo Scientific	OR9541

Database	Data ID
PubChem	22675048

M. W.

307.13934

CAS

17054-27-2

Similarity

N/A

ID: 92781

4-methoxypyridine-2-carbonitrile

$$$$ Data

M. F.

C7H6N2O

Suppliers	Catalog Number
Apollo Scientific	OR9544
Bide Pharmatech	BD98625

Database	Data ID
PubChem	13415156

M. W.

134.13534

CAS

36057-44-0

Similarity

N/A

ID: 92782

{3-[(2-chloroethyl)carbamoyl]phenyl}boronic acid

$$$$ Data

M. F.

C9H11BClNO3

Suppliers	Catalog Number
Alfa Aesar	H53342
Apollo Scientific	OR9545

Database	Data ID
PubChem	44119851

M. W.

227.45254

CAS

874288-12-7

Similarity

N/A

ID: 92783

(3-cyano-5-nitrophenyl)boronic acid

$$$$ Data More

M. F.

C7H5BN2O4

Suppliers	Catalog Number
Alfa Aesar	H53244
Apollo Scientific	OR9547
Bide Pharmatech	BD37585

Database	Data ID
PubChem	44119768

M. W.

191.9366

CAS

913835-33-3

Similarity

N/A

ID: 92784

5-bromopyridine-3-sulfonic acid

$$$$ Data

M. F.

C5H4BrNO3S

Suppliers	Catalog Number
Apollo Scientific	OR9549
Bide Pharmatech	BD225433

Database	Data ID
PubChem	12684261

M. W.

238.05916

CAS

62009-34-1

Similarity

N/A

ID: 92785

(3-bromo-5-methylphenyl)boronic acid

$$$$ Data More

M. F.

C7H8BBrO2

Suppliers	Catalog Number
Sigma Aldrich	645311
Alfa Aesar	H53070
Apollo Scientific	OR9550

Database	Data ID
PubChem	16217686

M. W.

214.85222

CAS

849062-36-8

Similarity

N/A

ID: 92786

{4-[(2-chloroethyl)carbamoyl]phenyl}boronic acid

$$$$ Data

M. F.

C9H11BClNO3

Suppliers	Catalog Number
Alfa Aesar	H52452
Apollo Scientific	OR9551
Bide Pharmatech	BD231333

Database	Data ID
PubChem	44119852

M. W.

227.45254

CAS

874460-05-6

Similarity

N/A

ID: 92787

3-(4-methoxyphenyl)-1H-pyrazole

$$$$ Data

M. F.

C10H10N2O

Suppliers	Catalog Number
Alfa Aesar	H33479
Apollo Scientific	OR9552
InterBioScreen	BB_SC-5939

Database	Data ID
PubChem	599984

M. W.

174.1992

CAS

27069-17-6

Similarity

N/A

ID: 92788

[1-(tert-butyldimethylsilyl)-1H-indol-4-yl]boronic acid

$$$$ Data

M. F.

C14H22BNO2Si

Suppliers	Catalog Number
Alfa Aesar	H53035
Apollo Scientific	OR9553

Database	Data ID
PubChem	22352397

M. W.

275.22648

CAS

351457-64-2

Similarity

N/A

ID: 92789

6-phenyl-2-(pyrazin-2-yl)pyrimidin-4-ol

$$$$ Data

M. F.

C14H10N4O

Suppliers	Catalog Number
Apollo Scientific	OR9554

Database	Data ID
PubChem	2736602

M. W.

250.2554

CAS

Similarity

N/A

ID: 92790

6-phenyl-3-sulfanyl-2,5-dihydro-1,2,4-triazin-5-one

$$$$ Data

M. F.

C9H7N3OS

Suppliers	Catalog Number
Apollo Scientific	OR9555

Database	Data ID
PubChem	732514

M. W.

205.23638

CAS

Similarity

N/A

ID: 92791

[4-(ethanesulfonyl)phenyl]boronic acid

$$$$ Data

M. F.

C8H10BNO5S

Suppliers	Catalog Number
Alfa Aesar	H53151
Apollo Scientific	OR9556
Bide Pharmatech	BD230203

Database	Data ID
PubChem	44119853

M. W.

243.0447

CAS

913835-52-6

Similarity

N/A

ID: 92792

methyl 6-hydroxypyridine-3-carboxylate

$$$$ Data

M. F.

C7H7NO3

Suppliers	Catalog Number
Apollo Scientific	OR9557
Bide Pharmatech	BD34547
A&J Pharmtech	AJA-O17262

Database	Data ID
PubChem	416343

M. W.

153.13538

CAS

66171-50-4

Similarity

N/A

ID: 92793

(3-amino-5-nitrophenyl)boronic acid

$$$$ Data

M. F.

C6H7BN2O4

Suppliers	Catalog Number
Alfa Aesar	H52651
Apollo Scientific	OR9558
A&J Pharmtech	AJA-O24341

Database	Data ID
PubChem	2737806

M. W.

181.94178

CAS

89466-05-7

Similarity

N/A

ID: 92794

[4-({2-[(tert-butyldimethylsilyl)oxy]ethyl}sulfamoyl)phenyl]boronic acid

$$$$ Data

M. F.

C14H26BNO5SSi

Suppliers	Catalog Number
Alfa Aesar	H53156
Apollo Scientific	OR9559

Database	Data ID
PubChem	44119854

M. W.

359.32144

CAS

913835-53-7

Similarity

N/A

ID: 92795

3-bromo-6-acetamidopyridine-2-carboxylic acid

$$$$ Data

M. F.

C8H7BrN2O3

Suppliers	Catalog Number
Apollo Scientific	OR9562
Enamine	EN300-101567

Database	Data ID
PubChem	25306988

M. W.

259.05678

CAS

882430-69-5

Similarity

N/A

ID: 92796

methyl 4-iodopyridine-2-carboxylate

$$$$ Data

M. F.

C7H6INO2

Suppliers	Catalog Number
Apollo Scientific	OR9563

Database	Data ID
PubChem	22742038

M. W.

263.03251

CAS

380381-28-2

Similarity

N/A

ID: 92797

5-(pyrrolidin-1-yl)-1H-1,2,3,4-tetrazole

$$$$ Data

M. F.

C5H9N5

Suppliers	Catalog Number
Apollo Scientific	OR9566

Database	Data ID
PubChem	223444

M. W.

139.15846

CAS

Similarity

N/A

ID: 92798

4-chloro-2-(dihydroxyboranyl)benzoic acid

$$$$ Data

M. F.

C7H6BClO4

Suppliers	Catalog Number
Alfa Aesar	H52698
Apollo Scientific	OR9568
Bide Pharmatech	BD231240

Database	Data ID
PubChem	44119856

M. W.

200.38414

CAS

874290-67-2

Similarity

N/A

ID: 92799

5-bromo-N-cyclopropyl-2-methoxybenzene-1-sulfonamide

$$$$ Data

M. F.

C10H12BrNO3S

Suppliers	Catalog Number
Apollo Scientific	OR9570

Database	Data ID
PubChem	8469277

M. W.

306.17618

CAS

914302-35-5

Similarity

N/A

ID: 92800

{3-[(dimethylsulfamoyl)amino]phenyl}boronic acid

$$$$ Data

M. F.

C8H13BN2O4S

Suppliers	Catalog Number
Apollo Scientific	OR9571

Database	Data ID
PubChem	44119857

M. W.

244.07582

CAS

277295-50-8

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