Chembase list of 866358 unique molecular structures

methyl 3-formamido-4-methylthiophene-2-carboxylate

$$$$ Data

M. F.

C8H9NO3S

Suppliers	Catalog Number
Apollo Scientific	OR24375

Database	Data ID
PubChem	2777642

M. W.

199.22696

CAS

Similarity

N/A

ID: 81702

2-chloro-N'-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methylidene]benzene-1-sulfon...

$$$$ Data

M. F.

C12H12Cl2N4O2S

Suppliers	Catalog Number
Apollo Scientific	OR24376

Database	Data ID
PubChem	9582181

M. W.

347.22028

CAS

Similarity

N/A

ID: 81703

4-chloro-N'-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methylidene]benzohydrazide

$$$$ Data

M. F.

C13H12Cl2N4O

Suppliers	Catalog Number
Apollo Scientific	OR24377

Database	Data ID
PubChem	9582182

M. W.

311.16658

CAS

Similarity

N/A

ID: 81704

N'-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-4-methylbenzohydrazide

$$$$ Data

M. F.

C14H15ClN4O

Suppliers	Catalog Number
Apollo Scientific	OR24378

Database	Data ID
PubChem	9582183

M. W.

290.7481

CAS

Similarity

N/A

ID: 81705

methyl 3-(2-ethoxy-2-oxoacetohydrazido)thiophene-2-carboxylate

$$$$ Data

M. F.

C10H12N2O5S

Suppliers	Catalog Number
Apollo Scientific	OR24379

Database	Data ID
PubChem	2777647

M. W.

272.27768

CAS

Similarity

N/A

ID: 81706

4-chlorothieno[3,4-b]pyridine-2,3-dicarboxylic acid

$$$$ Data

M. F.

C9H4ClNO4S

Suppliers	Catalog Number
Apollo Scientific	OR24380

Database	Data ID
PubChem	2777648

M. W.

257.65036

CAS

Similarity

N/A

ID: 81707

2-(acetylsulfanyl)acetonitrile

$$$$ Data

M. F.

C4H5NOS

Suppliers	Catalog Number
Maybridge	GK02437
Apollo Scientific	OR24381

Database	Data ID
PubChem	2777649

M. W.

115.1536

CAS

59463-56-8

Similarity

N/A

ID: 81708

methyl 3-ethoxythiophene-2-carboxylate

$$$$ Data

M. F.

C8H10O3S

Suppliers	Catalog Number
Alfa Aesar	B20860
Maybridge	GK02484
Apollo Scientific	OR24382

Database	Data ID
PubChem	2777650

M. W.

186.2282

CAS

139926-22-0

Similarity

N/A

ID: 81709

3-ethoxythiophene-2-carboxylic acid

$$$$ Data

M. F.

C7H8O3S

Suppliers	Catalog Number
Alfa Aesar	B20296
Maybridge	GK02486
Apollo Scientific	OR24383

Database	Data ID
PubChem	2777652

M. W.

172.20162

CAS

139926-23-1

Similarity

N/A

ID: 81710

methyl 3-[3-(chloromethyl)benzamido]thiophene-2-carboxylate

$$$$ Data

M. F.

C14H12ClNO3S

Suppliers	Catalog Number
Apollo Scientific	OR24384

Database	Data ID
PubChem	2777654

M. W.

309.76798

CAS

306935-11-5

Similarity

N/A

ID: 81711

2,3-dimethyl 4-oxothiolane-2,3-dicarboxylate

$$$$ Data

M. F.

C8H10O5S

Suppliers	Catalog Number
Maybridge	GK02505
Apollo Scientific	OR24386

Database	Data ID
PubChem	2777656

M. W.

218.227

CAS

38293-63-9

Similarity

N/A

ID: 81712

3-ethoxythiophene-2-carbonyl azide

$$$$ Data

M. F.

C7H7N3O2S

Suppliers	Catalog Number
Apollo Scientific	OR24387

Database	Data ID
PubChem	2777657

M. W.

197.21438

CAS

Similarity

N/A

ID: 81713

(1-sulfanylpropan-2-ylidene)amino 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

$$$$ Data

M. F.

C14H14N2O3S

Suppliers	Catalog Number
Apollo Scientific	OR24389

Database	Data ID
PubChem	9582184

M. W.

290.33756

CAS

Similarity

N/A

ID: 81714

2-bromo-N-{4-[(3,5-dichlorophenyl)sulfamoyl]phenyl}propanamide

$$$$ Data

M. F.

C15H13BrCl2N2O3S

Suppliers	Catalog Number
Apollo Scientific	OR24390

Database	Data ID
PubChem	2777662

M. W.

452.15032

CAS

Similarity

N/A

ID: 81715

5-chloro-1,3-dimethyl-4-[(2-phenylhydrazin-1-ylidene)methyl]-1H-pyrazole

$$$$ Data

M. F.

C12H13ClN4

Suppliers	Catalog Number
Apollo Scientific	OR24391

Database	Data ID
PubChem	9582185

M. W.

248.71142

CAS

Similarity

N/A

ID: 81716

methyl 2-(trichloroprop-2-enamido)thiophene-3-carboxylate

$$$$ Data

M. F.

C9H6Cl3NO3S

Suppliers	Catalog Number
Apollo Scientific	OR24394

Database	Data ID
PubChem	2777667

M. W.

314.57284

CAS

Similarity

N/A

ID: 81717

N-(3-benzoyl-4-methylthiophen-2-yl)-2-chloroacetamide

$$$$ Data

M. F.

C14H12ClNO2S

Suppliers	Catalog Number
Apollo Scientific	OR24395

Database	Data ID
PubChem	2777669

M. W.

293.76858

CAS

Similarity

N/A

ID: 81718

methyl 2-[3-(chloromethyl)benzamido]thiophene-3-carboxylate

$$$$ Data

M. F.

C14H12ClNO3S

Suppliers	Catalog Number
Apollo Scientific	OR24396

Database	Data ID
PubChem	2777671

M. W.

309.76798

CAS

Similarity

N/A

ID: 81719

thieno[2,3-d]pyrimidin-4-ylhydrazine

$$$$ Data

M. F.

C6H6N4S

Suppliers	Catalog Number
Maybridge	GK02837
Apollo Scientific	OR24397
Enamine	EN300-11065

Database	Data ID
PubChem	736619

M. W.

166.20364

CAS

14080-58-1

Similarity

N/A

ID: 81720

2-chloro-N'-{thieno[2,3-d]pyrimidin-4-yl}acetohydrazide

$$$$ Data

M. F.

C8H7ClN4OS

Suppliers	Catalog Number
Apollo Scientific	OR24398

Database	Data ID
PubChem	2777672

M. W.

242.68538

CAS

Similarity

N/A

ID: 81721

1-(2-acetyl-5-tert-butylthiophen-3-yl)-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione

$$$$ Data

M. F.

C15H17NO3S

Suppliers	Catalog Number
Apollo Scientific	OR24399

Database	Data ID
PubChem	2777673

M. W.

291.36538

CAS

Similarity

N/A

ID: 81722

2-chloro-1-(4-{thieno[2,3-d]pyrimidin-4-yl}piperazin-1-yl)ethan-1-one

$$$$ Data

M. F.

C12H13ClN4OS

Suppliers	Catalog Number
Apollo Scientific	OR24400

Database	Data ID
PubChem	2777674

M. W.

296.77582

CAS

Similarity

N/A

ID: 81723

2,3,3-trichloro-1-(4-{thieno[2,3-d]pyrimidin-4-yl}piperazin-1-yl)prop-2-en-1-one

$$$$ Data

M. F.

C13H11Cl3N4OS

Suppliers	Catalog Number
Apollo Scientific	OR24401

Database	Data ID
PubChem	2777676

M. W.

377.67664

CAS

Similarity

N/A

ID: 81724

morpholine-4-carbohydrazide

$$$$ Data

M. F.

C5H11N3O2

Suppliers	Catalog Number
Apollo Scientific	OR24403
Enamine	EN300-59486

Database	Data ID
PubChem	2777679

M. W.

145.15974

CAS

29053-23-4

Similarity

N/A

ID: 81725

methyl 5-(2-chloroacetamido)furan-2-carboxylate

$$$$ Data

M. F.

C8H8ClNO4

Suppliers	Catalog Number
Apollo Scientific	OR24404

Database	Data ID
PubChem	2777680

M. W.

217.60642

CAS

Similarity

N/A

ID: 81726

methyl 2-{2-[4-(2-chloroacetyl)piperazin-1-yl]acetamido}thiophene-3-carboxylate

$$$$ Data

M. F.

C14H18ClN3O4S

Suppliers	Catalog Number
Apollo Scientific	OR24406

Database	Data ID
PubChem	2777682

M. W.

359.82842

CAS

Similarity

N/A

ID: 81727

methyl 2-(2-chloroacetamido)-4,5-dimethoxybenzoate

$$$$ Data

M. F.

C12H14ClNO5

Suppliers	Catalog Number
Apollo Scientific	OR24407

Database	Data ID
PubChem	736622

M. W.

287.69626

CAS

Similarity

N/A

ID: 81728

ethyl 2-(2-chloroacetamido)thiophene-3-carboxylate

$$$$ Data

M. F.

C9H10ClNO3S

Suppliers	Catalog Number
Apollo Scientific	OR24408
Enamine	EN300-24561

Database	Data ID
PubChem	2777684

M. W.

247.6986

CAS

Similarity

N/A

ID: 81729

methyl 4,5-dimethoxy-2-(trichloroprop-2-enamido)benzoate

$$$$ Data

M. F.

C13H12Cl3NO5

Suppliers	Catalog Number
Apollo Scientific	OR24409

Database	Data ID
PubChem	2777685

M. W.

368.59708

CAS

Similarity

N/A

ID: 81730

1-(3-{[(tert-butoxy)carbonyl]amino}propyl)-5-tert-butyl-2-methyl-1H-pyrrole-3-ca...

$$$$ Data

M. F.

C18H30N2O4

Suppliers	Catalog Number
Apollo Scientific	OR2441

Database	Data ID
PubChem	2735637

M. W.

338.4418

CAS

Similarity

N/A

ID: 81731

3-(2-chloroacetamido)-5-[4-(2-methylpropyl)phenyl]thiophene-2-carboxamide

$$$$ Data

M. F.

C17H19ClN2O2S

Suppliers	Catalog Number
Apollo Scientific	OR24410

Database	Data ID
PubChem	2777686

M. W.

350.86296

CAS

Similarity

N/A

ID: 81732

1-(1-methyl-1H-pyrazol-5-yl)-3-(trichloroethenyl)urea

$$$$ Data

M. F.

C7H7Cl3N4O

Suppliers	Catalog Number
Apollo Scientific	OR24411

Database	Data ID
PubChem	2777688

M. W.

269.51568

CAS

Similarity

N/A

ID: 81733

1,3-diethyl 2-{[(1-methyl-1H-pyrazol-5-yl)amino]methylidene}propanedioate

$$$$ Data

M. F.

C12H17N3O4

Suppliers	Catalog Number
Apollo Scientific	OR24412

Database	Data ID
PubChem	2777690

M. W.

267.28108

CAS

Similarity

N/A

ID: 81734

methyl 3-(3-chloro-2,2-dimethylpropanamido)thiophene-2-carboxylate

$$$$ Data

M. F.

C11H14ClNO3S

Suppliers	Catalog Number
Apollo Scientific	OR24413

Database	Data ID
PubChem	2777691

M. W.

275.75176

CAS

Similarity

N/A

ID: 81735

methyl 3-{4-chloro-2-[3-(chloromethyl)benzamido]phenoxy}thiophene-2-carboxylate

$$$$ Data

M. F.

C20H15Cl2NO4S

Suppliers	Catalog Number
Apollo Scientific	OR24414

Database	Data ID
PubChem	2777693

M. W.

436.3084

CAS

Similarity

N/A

ID: 81736

N-(4-bromo-1-methyl-1H-pyrazol-5-yl)-2-chloroacetamide

$$$$ Data

M. F.

C6H7BrClN3O

Suppliers	Catalog Number
Apollo Scientific	OR24416

Database	Data ID
PubChem	2777695

M. W.

252.49628

CAS

Similarity

N/A

ID: 81737

2-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbamoyl]benzoic acid

$$$$ Data

M. F.

C12H10BrN3O3

Suppliers	Catalog Number
Apollo Scientific	OR24419

Database	Data ID
PubChem	2777699

M. W.

324.1301

CAS

Similarity

N/A

ID: 81738

(1R,5S)-bicyclo[3.3.1]nonane-2,6-dione

$$$$ Data

M. F.

C9H12O2

Suppliers	Catalog Number
Apollo Scientific	OR2442

Database	Data ID
PubChem	6925927

M. W.

152.19038

CAS

16473-11-3

Similarity

N/A

ID: 81739

2-chloro-N'-(2-{8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetrae...

$$$$ Data

M. F.

C14H15ClN4O2S2

Suppliers	Catalog Number
Apollo Scientific	OR24420

Database	Data ID
PubChem	2777700

M. W.

370.8775

CAS

Similarity

N/A

ID: 81740

2,3,3-trichloro-N-(1-methyl-1H-pyrazol-5-yl)prop-2-enamide

$$$$ Data

M. F.

C7H6Cl3N3O

Suppliers	Catalog Number
Apollo Scientific	OR24421

Database	Data ID
PubChem	2777702

M. W.

254.50104

CAS

Similarity

N/A

ID: 81741

N-(4-bromo-1-methyl-1H-pyrazol-5-yl)-2,3,3-trichloroprop-2-enamide

$$$$ Data

M. F.

C7H5BrCl3N3O

Suppliers	Catalog Number
Apollo Scientific	OR24422

Database	Data ID
PubChem	2777703

M. W.

333.3971

CAS

Similarity

N/A

ID: 81742

thieno[3,2-d]pyrimidin-4-ylhydrazine

$$$$ Data

M. F.

C6H6N4S

Suppliers	Catalog Number
Apollo Scientific	OR24423
Enamine	EN300-87166

Database	Data ID
PubChem	2777705

M. W.

166.20364

CAS

16229-26-8

Similarity

N/A

ID: 81743

2-chloro-N-{4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}acetamide

$$$$ Data

M. F.

C12H12ClN3O4S

Suppliers	Catalog Number
Apollo Scientific	OR24424

Database	Data ID
PubChem	2777706

M. W.

329.75938

CAS

Similarity

N/A

ID: 81744

2-chloro-N'-[2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene...

$$$$ Data

M. F.

C17H20ClN3O2S

Suppliers	Catalog Number
Apollo Scientific	OR24425

Database	Data ID
PubChem	2777708

M. W.

365.8776

CAS

Similarity

N/A

ID: 81745

2-bromo-N-(1-methyl-1H-pyrazol-5-yl)propanamide

$$$$ Data

M. F.

C7H10BrN3O

Suppliers	Catalog Number
Apollo Scientific	OR24426

Database	Data ID
PubChem	2777709

M. W.

232.0778

CAS

Similarity

N/A

ID: 81746

3-(chloromethyl)-N-(1-methyl-1H-pyrazol-5-yl)benzamide

$$$$ Data

M. F.

C12H12ClN3O

Suppliers	Catalog Number
Apollo Scientific	OR24427

Database	Data ID
PubChem	2777711

M. W.

249.69618

CAS

Similarity

N/A

ID: 81747

methyl 3-[(4-chloro-5H-1,2,3-dithiazol-5-ylidene)amino]thiophene-2-carboxylate

$$$$ Data

M. F.

C8H5ClN2O2S3

Suppliers	Catalog Number
Apollo Scientific	OR24428

Database	Data ID
PubChem	736623

M. W.

292.7855

CAS

Similarity

N/A

ID: 81748

2-chloro-N'-{2-[(6,7-dimethoxyquinazolin-4-yl)sulfanyl]acetyl}acetohydrazide

$$$$ Data

M. F.

C14H15ClN4O4S

Suppliers	Catalog Number
Apollo Scientific	OR24429

Database	Data ID
PubChem	2777713

M. W.

370.8113

CAS

Similarity

N/A

ID: 81749

2-(benzylamino)-1-(4-nitrophenyl)ethan-1-ol

$$$$ Data

M. F.

C15H16N2O3

Suppliers	Catalog Number
Maybridge	RJC02318
Apollo Scientific	OR2443

Database	Data ID
PubChem	2735476

M. W.

272.29914

CAS

91579-11-2

Similarity

N/A

ID: 81750

2-chloro-N'-[2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethoxybenzoyl]acetohydrazide

$$$$ Data

M. F.

C17H20ClN3O4

Suppliers	Catalog Number
Apollo Scientific	OR24430

Database	Data ID
PubChem	2777714

M. W.

365.8114

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