Chembase list of 866358 unique molecular structures

3-[(2-tert-butylphenyl)carbamoyl]propanoic acid

$$$$ Data

M. F.

C14H19NO3

Suppliers	Catalog Number
ChemBridge	9050501
Matrix Scientific	062526

Database	Data ID
PubChem	6468356

M. W.

249.30556

CAS

904807-77-8

Similarity

N/A

ID: 57352

methyl 3-(4-bromo-1H-pyrazol-1-yl)propanoate

$$$$ Data

M. F.

C7H9BrN2O2

Suppliers	Catalog Number
ChemBridge	3003068
Matrix Scientific	062527
Enamine	EN300-72656

Database	Data ID
PubChem	23006107

M. W.

233.06256

CAS

1007517-46-5

Similarity

N/A

ID: 57353

ethyl 4-(3,4-dichlorophenyl)-2,4-dioxobutanoate

$$$$ Data

M. F.

C12H10Cl2O4

Suppliers	Catalog Number
Matrix Scientific	062528

Database	Data ID
PubChem	10017017

M. W.

289.1114

CAS

93618-67-8

Similarity

N/A

ID: 57354

3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxylic acid

$$$$ Data More

M. F.

C10H6Cl2N2O2

Suppliers	Catalog Number
Matrix Scientific	062529
Life Chemicals	F2130-0022
InterBioScreen	BB_SC-1260

Database	Data ID
PubChem	945124

M. W.

257.07284

CAS

78874-27-8

Similarity

N/A

ID: 57355

methyl 3,6-dichloro-1-benzothiophene-2-carboxylate

$$$$ Data

M. F.

C10H6Cl2O2S

Suppliers	Catalog Number
Sigma Aldrich	646792
Matrix Scientific	062530

Database	Data ID
PubChem	693018

M. W.

261.12444

CAS

21211-18-7

Similarity

N/A

ID: 57356

methyl 3,4-dichloro-1-benzothiophene-2-carboxylate

$$$$ Data

M. F.

C10H6Cl2O2S

Suppliers	Catalog Number
Matrix Scientific	062531

Database	Data ID
PubChem	2181054

M. W.

261.12444

CAS

Similarity

N/A

ID: 57357

methyl 3-chloro-6-fluoro-1-benzothiophene-2-carboxylate

$$$$ Data

M. F.

C10H6ClFO2S

Suppliers	Catalog Number
Sigma Aldrich	646776
Matrix Scientific	062532
Apollo Scientific	PC4256

Database	Data ID
PubChem	762658

M. W.

244.6698432

CAS

21211-20-1

Similarity

N/A

ID: 57358

methyl 3-chloro-6-methyl-1-benzothiophene-2-carboxylate

$$$$ Data

M. F.

C11H9ClO2S

Suppliers	Catalog Number
Sigma Aldrich	646784
Matrix Scientific	062533

Database	Data ID
PubChem	4154210

M. W.

240.70596

CAS

59812-34-9

Similarity

N/A

ID: 57359

3-[(4-chloro-2-fluorophenyl)carbamoyl]propanoic acid

$$$$ Data

M. F.

C10H9ClFNO3

Suppliers	Catalog Number
ChemBridge	9051795
Matrix Scientific	062534

Database	Data ID
PubChem	6469015

M. W.

245.6347632

CAS

904810-52-2

Similarity

N/A

ID: 57360

ethyl 4-(4-chlorophenyl)-2,4-dioxobutanoate

$$$$ Data

M. F.

C12H11ClO4

Suppliers	Catalog Number
Matrix Scientific	062535
Apollo Scientific	OR42147
Enamine	EN300-14533

Database	Data ID
PubChem	602482

M. W.

254.66634

CAS

5814-38-0

Similarity

N/A

ID: 57361

ethyl 4-(2,4-dichlorophenyl)-2,4-dioxobutanoate

$$$$ Data

M. F.

C12H10Cl2O4

Suppliers	Catalog Number
Matrix Scientific	062536
Enamine	EN300-56556

Database	Data ID
PubChem	22997478

M. W.

289.1114

CAS

478868-68-7

Similarity

N/A

ID: 57362

5-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid

$$$$ Data More

M. F.

C10H6Cl2N2O2

Suppliers	Catalog Number
Matrix Scientific	062537
InterBioScreen	BB_SC-6230
Enamine	EN300-83707

Database	Data ID
PubChem	4595385

M. W.

257.07284

CAS

276684-04-9

Similarity

N/A

ID: 57363

4-methyl-6-phenylpyrimidine-2-thiol

$$$$ Data

M. F.

C11H10N2S

Suppliers	Catalog Number
Matrix Scientific	062538
Enamine	EN300-13996

Database	Data ID
PubChem	735996

M. W.

202.2755

CAS

27955-44-8

Similarity

N/A

ID: 57364

6-methylpyridazin-3-ol

$$$$ Data

M. F.

C5H6N2O

Suppliers	Catalog Number
Matrix Scientific	062539
Apollo Scientific	OR5828

Database	Data ID
PubChem	83346

M. W.

110.11394

CAS

13327-27-0

Similarity

N/A

ID: 57365

3-chloro-6-methylpyridazine

$$$$ Data More

M. F.

C5H5ClN2

Suppliers	Catalog Number
Sigma Aldrich	637637
Alfa Aesar	A13480
Matrix Scientific	062540

Database	Data ID
PubChem	227254

M. W.

128.5596

CAS

1121-79-5

Similarity

N/A

ID: 57366

(2-aminoethyl)[(2-chlorophenyl)methyl]amine

$$$$ Data

M. F.

C9H13ClN2

Suppliers	Catalog Number
Matrix Scientific	062541

Database	Data ID
PubChem	22612

M. W.

184.66592

CAS

6241-46-9

Similarity

N/A

ID: 57367

(2-aminoethyl)[(4-fluorophenyl)methyl]amine

$$$$ Data

M. F.

C9H13FN2

Suppliers	Catalog Number
Matrix Scientific	062542

Database	Data ID
PubChem	28301706

M. W.

168.2113232

CAS

2070-85-1

Similarity

N/A

ID: 57368

benzyl 6-methyl-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxyla...

$$$$ Data

M. F.

C17H16N2O3S

Suppliers	Catalog Number
Matrix Scientific	062543

Database	Data ID
PubChem	3467695

M. W.

328.38554

CAS

312623-13-5

Similarity

N/A

ID: 57369

3-acetyl-4-hydroxy-2H-chromen-2-one

$$$$ Data

M. F.

C11H8O4

Suppliers	Catalog Number
Matrix Scientific	062544

Database	Data ID
PubChem	54677403

M. W.

204.17882

CAS

2555-37-5

Similarity

N/A

ID: 57370

4-hydroxy-3-propanoyl-2H-chromen-2-one

$$$$ Data

M. F.

C12H10O4

Suppliers	Catalog Number
Matrix Scientific	062545

Database	Data ID
PubChem	54677438

M. W.

218.2054

CAS

4139-73-5

Similarity

N/A

ID: 57371

methyl 3-{5-[(E)-2-[2-oxo-6-(trifluoromethyl)-2,3-dihydropyrimidin-4-yl]ethenyl]...

$$$$ Data

M. F.

C19H13F3N2O4

Suppliers	Catalog Number
Matrix Scientific	062546

Database	Data ID
PubChem	5872045

M. W.

390.3127296

CAS

385376-07-8

Similarity

N/A

ID: 57372

3-acetyl-2-ethyl-4-hydroxy-2H-1$l^{6},2-benzothiazine-1,1-dione

$$$$ Data

M. F.

C12H13NO4S

Suppliers	Catalog Number
Matrix Scientific	062547

Database	Data ID
PubChem	17587907

M. W.

267.30092

CAS

919751-89-6

Similarity

N/A

ID: 57373

3-methoxy-9H-carbazole

$$$$ Data

M. F.

C13H11NO

Suppliers	Catalog Number
Matrix Scientific	062548

Database	Data ID
PubChem	519621

M. W.

197.23254

CAS

18992-85-3

Similarity

N/A

ID: 57374

6-acetyl-7-hydroxy-4-methyl-2H-chromen-2-one

$$$$ Data

M. F.

C12H10O4

Suppliers	Catalog Number
Matrix Scientific	062549

Database	Data ID
PubChem	5977496

M. W.

218.2054

CAS

16555-98-9

Similarity

N/A

ID: 57375

(2-aminoethyl)[(3-methylphenyl)methyl]amine

$$$$ Data

M. F.

C10H16N2

Suppliers	Catalog Number
Matrix Scientific	062550

Database	Data ID
PubChem	20551196

M. W.

164.24744

CAS

953072-18-9

Similarity

N/A

ID: 57376

7-(acetyloxy)-4-methyl-2-oxo-2H-chromen-6-yl acetate

$$$$ Data

M. F.

C14H12O6

Suppliers	Catalog Number
Sigma Aldrich	31495 317446
Matrix Scientific	062551

Database	Data ID
PubChem	148769

M. W.

276.24148

CAS

55939-28-1

Similarity

N/A

ID: 57377

(3-aminopropyl)[(4-chlorophenyl)methyl]amine

$$$$ Data

M. F.

C10H15ClN2

Suppliers	Catalog Number
Matrix Scientific	062552

Database	Data ID
PubChem	2755454

M. W.

198.6925

CAS

61798-10-5

Similarity

N/A

ID: 57378

(3-aminopropyl)[(4-methylphenyl)methyl]amine

$$$$ Data

M. F.

C11H18N2

Suppliers	Catalog Number
Matrix Scientific	062553

Database	Data ID
PubChem	13880848

M. W.

178.27402

CAS

106353-10-0

Similarity

N/A

ID: 57379

1-ethyl-2,3-dihydro-1H-indole-2,3-dione

$$$$ Data

M. F.

C10H9NO2

Suppliers	Catalog Number
Matrix Scientific	062554
Life Chemicals	F0347-1871
Enamine	EN300-01053

Database	Data ID
PubChem	316076

M. W.

175.18396

CAS

4290-94-2

Similarity

N/A

ID: 57380

4-methyl-2-oxo-2H-chromen-7-yl 2-chloroacetate

$$$$ Data

M. F.

C12H9ClO4

Suppliers	Catalog Number
Matrix Scientific	062555
Life Chemicals	F0855-0004
InterBioScreen	BB_NC-1074

Database	Data ID
PubChem	723851

M. W.

252.65046

CAS

105738-24-7

Similarity

N/A

ID: 57381

3-(2-bromoacetyl)-2H-chromen-2-one

$$$$ Data

M. F.

C11H7BrO3

Suppliers	Catalog Number
Sigma Aldrich	579920
Matrix Scientific	062556
InterBioScreen	BB_SC-9985

Database	Data ID
PubChem	2063461

M. W.

267.07548

CAS

29310-88-1

Similarity

N/A

ID: 57382

ethyl 2-chloro-2,2-diphenylacetate

$$$$ Data

M. F.

C16H15ClO2

Suppliers	Catalog Number
Matrix Scientific	062557

Database	Data ID
PubChem	240547

M. W.

274.7421

CAS

52460-86-3

Similarity

N/A

ID: 57383

(2-aminoethyl)[(2-fluorophenyl)methyl]amine

$$$$ Data

M. F.

C9H13FN2

Suppliers	Catalog Number
Matrix Scientific	062558

Database	Data ID
PubChem	28301704

M. W.

168.2113232

CAS

953072-16-7

Similarity

N/A

ID: 57384

(2-aminoethyl)[(3-methoxyphenyl)methyl]amine

$$$$ Data

M. F.

C10H16N2O

Suppliers	Catalog Number
Matrix Scientific	062559

Database	Data ID
PubChem	44122732

M. W.

180.24684

CAS

1048675-29-1

Similarity

N/A

ID: 57385

(2-aminoethyl)[(3-chlorophenyl)methyl]amine

$$$$ Data

M. F.

C9H13ClN2

Suppliers	Catalog Number
Matrix Scientific	062560

Database	Data ID
PubChem	20551245

M. W.

184.66592

CAS

102450-75-9

Similarity

N/A

ID: 57386

(2-aminoethyl)[(3-fluorophenyl)methyl]amine

$$$$ Data

M. F.

C9H13FN2

Suppliers	Catalog Number
Matrix Scientific	062561

Database	Data ID
PubChem	14653370

M. W.

168.2113232

CAS

123566-39-2

Similarity

N/A

ID: 57387

[2-(dimethylamino)ethyl][1-(pyridin-4-yl)ethyl]amine

$$$$ Data

M. F.

C11H19N3

Suppliers	Catalog Number
Matrix Scientific	062562

Database	Data ID
PubChem	15725252

M. W.

193.28866

CAS

136469-85-7

Similarity

N/A

ID: 57388

2-(methylamino)ethan-1-ol

$$$$ Data More

M. F.

C3H9NO

Suppliers	Catalog Number
Sigma Aldrich	239666 471445 65630 (more...)
MP Biomedicals	05214431
Alfa Aesar	B23180

Database	Data ID
Wikipedia	N-Methylethanolamine
PubChem	8016

M. W.

75.10966

CAS

109-83-1

Similarity

N/A

ID: 57389

N-ethyl-3,4-dimethylaniline

$$$$ Data

M. F.

C10H15N

Suppliers	Catalog Number
Matrix Scientific	062564

Database	Data ID
PubChem	21480163

M. W.

149.2328

CAS

27285-20-7

Similarity

N/A

ID: 57390

(3-methoxypropyl)[1-(pyridin-4-yl)ethyl]amine

$$$$ Data

M. F.

C11H18N2O

Suppliers	Catalog Number
Matrix Scientific	062565

Database	Data ID
PubChem	43205056

M. W.

194.27342

CAS

1042589-25-2

Similarity

N/A

ID: 57391

N-ethyl-4-fluoroaniline

$$$$ Data

M. F.

C8H10FN

Suppliers	Catalog Number
Matrix Scientific	062566
Enamine	EN300-13033

Database	Data ID
PubChem	4962184

M. W.

139.1701032

CAS

405-67-4

Similarity

N/A

ID: 57392

3-chloro-N-ethylaniline

$$$$ Data More

M. F.

C8H10ClN

Suppliers	Catalog Number
Matrix Scientific	062567
Chemik	CHB86291
Enamine	EN300-32891

Database	Data ID
PubChem	12268242

M. W.

155.6247

CAS

15258-44-3

Similarity

N/A

ID: 57393

(furan-2-ylmethyl)(3-methoxypropyl)amine

$$$$ Data

M. F.

C9H15NO2

Suppliers	Catalog Number
Matrix Scientific	062568

Database	Data ID
PubChem	16495006

M. W.

169.2209

CAS

932267-74-8

Similarity

N/A

ID: 57394

N-methyl-3-(trifluoromethyl)aniline

$$$$ Data More

M. F.

C8H8F3N

Suppliers	Catalog Number
Matrix Scientific	062569
Apollo Scientific	PC10433
Chemik	CHH20587

Database	Data ID
PubChem	2783214

M. W.

175.1510296

CAS

2026-70-2

Similarity

N/A

ID: 57395

1-[(2-chlorophenyl)methyl]-1,3-diazinane

$$$$ Data

M. F.

C11H15ClN2

Suppliers	Catalog Number
Matrix Scientific	062570

Database	Data ID
PubChem	46779834

M. W.

210.7032

CAS

898808-61-2

Similarity

N/A

ID: 57396

7-hydroxy-3-(4-methoxyphenoxy)-2-(trifluoromethyl)-4H-chromen-4-one

$$$$ Data

M. F.

C17H11F3O5

Suppliers	Catalog Number
Matrix Scientific	062571

Database	Data ID
PubChem	5322368

M. W.

352.2614496

CAS

302952-79-0

Similarity

N/A

ID: 57397

4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide

$$$$ Data

M. F.

C8H12N4O

Suppliers	Catalog Number
Matrix Scientific	062572
Key Organics	EG-0025
Enamine	EN300-08081

Database	Data ID
PubChem	2202791

M. W.

180.20708

CAS

90434-92-7

Similarity

N/A

ID: 57398

methyl 3-(5-formylfuran-2-yl)benzoate

$$$$ Data

M. F.

C13H10O4

Suppliers	Catalog Number
Matrix Scientific	062573

Database	Data ID
PubChem	3452619

M. W.

230.2161

CAS

591723-69-2

Similarity

N/A

ID: 57399

3-hydrazinylquinoxalin-2-ol

$$$$ Data

M. F.

C8H8N4O

Suppliers	Catalog Number
ChemBridge	4012382
Matrix Scientific	062574
InterBioScreen	BB_SC-1281

Database	Data ID
PubChem	693318

M. W.

176.17532

CAS

31595-63-8

Similarity

N/A

ID: 57400

3,4-diethyl 1-[2-(1H-indol-3-yl)ethyl]-2,5-dimethyl-1H-pyrrole-3,4-dicarboxylate

$$$$ Data

M. F.

C22H26N2O4

Suppliers	Catalog Number
Matrix Scientific	062575
InterBioScreen	STOCK1N-25075

Database	Data ID
PubChem	1288214

M. W.

382.45284

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