Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C19H34ClP

Suppliers	Catalog Number
Apollo Scientific	OR24961

Database	Data ID
PubChem	200231

M. W.

328.900021

CAS

Similarity

N/A

ID: 82252

(2-phenoxyethyl)triphenylphosphanium bromide

$$$$ Data

M. F.

C26H24BrOP

Suppliers	Catalog Number
Apollo Scientific	OR24962

Database	Data ID
PubChem	2778279

M. W.

463.345921

CAS

Similarity

N/A

ID: 82253

bis(2-(dimethylamino)acetic acid) hydrate

$$$$ Data

M. F.

C8H20N2O5

Suppliers	Catalog Number
Apollo Scientific	OR24963

Database	Data ID
PubChem	2778281

M. W.

224.2548

CAS

Similarity

N/A

ID: 82254

(2S)-2-amino-3-hydroxy-2-methylbutanoic acid

$$$$ Data

M. F.

C5H11NO3

Suppliers	Catalog Number
Apollo Scientific	OR24964

Database	Data ID
PubChem	71299464

M. W.

133.14574

CAS

Similarity

N/A

ID: 82255

1,3-bis(4-chlorophenyl)prop-2-en-1-one

$$$$ Data

M. F.

C15H10Cl2O

Suppliers	Catalog Number
Alfa Aesar	L10717
Apollo Scientific	OR24965

Database	Data ID
PubChem	5377011

M. W.

277.1453

CAS

19672-59-4

Similarity

N/A

ID: 82256

tris(4-chlorophenyl)(methyl)phosphanium iodide

$$$$ Data

M. F.

C19H15Cl3IP

Suppliers	Catalog Number
MP Biomedicals	05221117
Apollo Scientific	OR24966

Database	Data ID
PubChem	2778284

M. W.

507.559631

CAS

5068-14-4

Similarity

N/A

ID: 82257

dimethyl[(pentamethylphenyl)methyl]phenylphosphanium chloride

$$$$ Data

M. F.

C20H28ClP

Suppliers	Catalog Number
Apollo Scientific	OR24967

Database	Data ID
PubChem	2778287

M. W.

334.863081

CAS

Similarity

N/A

ID: 82258

[(2-chlorophenyl)methyl]triphenylphosphanium chloride

$$$$ Data

M. F.

C25H21Cl2P

Suppliers	Catalog Number
Apollo Scientific	OR24968

Database	Data ID
PubChem	2734112

M. W.

423.314001

CAS

Similarity

N/A

ID: 82259

tris(4-methoxyphenyl)(methyl)phosphanium iodide

$$$$ Data

M. F.

C22H24IO3P

Suppliers	Catalog Number
Apollo Scientific	OR24969

Database	Data ID
PubChem	2778290

M. W.

494.302391

CAS

Similarity

N/A

ID: 82260

2-(4-chlorophenyl)ethan-1-ol

$$$$ Data More

M. F.

C8H9ClO

Suppliers	Catalog Number
Sigma Aldrich	183423
MP Biomedicals	05215805
Apollo Scientific	OR24970

Database	Data ID
PubChem	74647

M. W.

156.60946

CAS

3391-10-4

Similarity

N/A

ID: 82261

methyl 5-(3,5-dichlorophenoxy)furan-2-carboxylate

$$$$ Data

M. F.

C12H8Cl2O4

Suppliers	Catalog Number
Maybridge	JM00046
Apollo Scientific	OR24971

Database	Data ID
PubChem	2778293

M. W.

287.09552

CAS

306935-18-2

Similarity

N/A

ID: 82262

2,6-dichloro-N-(N,N-dimethylcarbamimidoyl)pyridine-4-carboxamide

$$$$ Data

M. F.

C9H10Cl2N4O

Suppliers	Catalog Number
Apollo Scientific	OR24972

Database	Data ID
PubChem	2778294

M. W.

261.1079

CAS

Similarity

N/A

ID: 82263

2,6-dichloro-N-(2,6-dimethylmorpholine-4-carboximidoyl)pyridine-4-carboxamide

$$$$ Data

M. F.

C13H16Cl2N4O2

Suppliers	Catalog Number
Apollo Scientific	OR24973

Database	Data ID
PubChem	2778296

M. W.

331.19774

CAS

Similarity

N/A

ID: 82264

2,6-dichloro-N-(pyridine-4-carboximidoyl)pyridine-4-carboxamide

$$$$ Data

M. F.

C12H8Cl2N4O

Suppliers	Catalog Number
Apollo Scientific	OR24974

Database	Data ID
PubChem	2778298

M. W.

295.12412

CAS

Similarity

N/A

ID: 82265

2,6-dichloro-N-(morpholine-4-carboximidoyl)pyridine-4-carboxamide

$$$$ Data

M. F.

C11H12Cl2N4O2

Suppliers	Catalog Number
Apollo Scientific	OR24975

Database	Data ID
PubChem	2778299

M. W.

303.14458

CAS

Similarity

N/A

ID: 82266

ethyl 5-[(4-methoxyphenyl)amino]-1-methyl-1H-pyrazol-3-yl ethoxy(sulfanylidene)p...

$$$$ Data

M. F.

C15H22N3O4PS

Suppliers	Catalog Number
Apollo Scientific	OR24976

Database	Data ID
PubChem	2778301

M. W.

371.391641

CAS

Similarity

N/A

ID: 82267

5-[(3-chloro-4-methylphenyl)amino]-1-methyl-1H-pyrazol-3-yl ethyl ethoxy(sulfany...

$$$$ Data

M. F.

C15H21ClN3O3PS

Suppliers	Catalog Number
Apollo Scientific	OR24977

Database	Data ID
PubChem	2778302

M. W.

389.837301

CAS

Similarity

N/A

ID: 82268

2-chloro-4-(4-chlorophenyl)-6-(methylsulfanyl)-1,3,5-triazine

$$$$ Data

M. F.

C10H7Cl2N3S

Suppliers	Catalog Number
Apollo Scientific	OR24978

Database	Data ID
PubChem	2778303

M. W.

272.15368

CAS

Similarity

N/A

ID: 82269

4-(4-chlorophenyl)-6-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,5-triazin-2-yl ethyl...

$$$$ Data

M. F.

C20H20Cl2N3O3PS2

Suppliers	Catalog Number
Apollo Scientific	OR24979

Database	Data ID
PubChem	2778305

M. W.

516.400861

CAS

Similarity

N/A

ID: 82270

4-(4-acetylpiperazin-1-yl)benzoic acid

$$$$ Data

M. F.

C13H16N2O3

Suppliers	Catalog Number
Apollo Scientific	OR2498

Database	Data ID
PubChem	2051490

M. W.

248.27774

CAS

Similarity

N/A

ID: 82271

4-(4-chlorophenyl)-6-{[(2,6-dichlorophenyl)methyl]sulfanyl}-1,3,5-triazin-2-yl e...

$$$$ Data

M. F.

C20H19Cl3N3O3PS2

Suppliers	Catalog Number
Apollo Scientific	OR24980

Database	Data ID
PubChem	2778307

M. W.

550.845921

CAS

Similarity

N/A

ID: 82272

5-(chloromethyl)-3-[(4-nitrophenyl)methyl]-1,2,4-oxadiazole

$$$$ Data

M. F.

C10H8ClN3O3

Suppliers	Catalog Number
Apollo Scientific	OR24981

Database	Data ID
PubChem	2778308

M. W.

253.64182

CAS

Similarity

N/A

ID: 82273

5-({[(cyclopropylamino)(ethoxy)phosphoryl]sulfanyl}methyl)-3-[(4-nitrophenyl)met...

$$$$ Data

M. F.

C15H19N4O5PS

Suppliers	Catalog Number
Apollo Scientific	OR24982

Database	Data ID
PubChem	2778309

M. W.

398.373921

CAS

Similarity

N/A

ID: 82274

1,3-dimethyl 2-[(ethanimidoylsulfanyl)methylidene]propanedioate

$$$$ Data

M. F.

C8H11NO4S

Suppliers	Catalog Number
Apollo Scientific	OR24983

Database	Data ID
PubChem	2778310

M. W.

217.24224

CAS

Similarity

N/A

ID: 82275

[amino({4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl})methylidene]amino 2-chloro...

$$$$ Data

M. F.

C14H14ClN3O3S

Suppliers	Catalog Number
Apollo Scientific	OR24985

Database	Data ID
PubChem	9582193

M. W.

339.79726

CAS

Similarity

N/A

ID: 82276

3-{4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-5-(trichloromethyl)-1,2,4-oxadi...

$$$$ Data

M. F.

C14H10Cl3N3O2S

Suppliers	Catalog Number
Apollo Scientific	OR24986

Database	Data ID
PubChem	2778314

M. W.

390.6721

CAS

Similarity

N/A

ID: 82277

4,6-dichloro-N-{2-[(4-chloro-2-nitrophenyl)sulfanyl]phenyl}-1,3,5-triazin-2-amin...

$$$$ Data

M. F.

C15H8Cl3N5O2S

Suppliers	Catalog Number
Apollo Scientific	OR24987

Database	Data ID
PubChem	2778316

M. W.

428.68032

CAS

Similarity

N/A

ID: 82278

4,6-dichloro-N-{2-[(2,4-dinitrophenyl)sulfanyl]phenyl}-1,3,5-triazin-2-amine

$$$$ Data

M. F.

C15H8Cl2N6O4S

Suppliers	Catalog Number
Apollo Scientific	OR24988

Database	Data ID
PubChem	2778317

M. W.

439.23282

CAS

Similarity

N/A

ID: 82279

1,2-dichloro-4-nitro-5-(phenylsulfanyl)benzene

$$$$ Data

M. F.

C12H7Cl2NO2S

Suppliers	Catalog Number
Apollo Scientific	OR24989

Database	Data ID
PubChem	2778318

M. W.

300.16048

CAS

Similarity

N/A

ID: 82280

3-(4-acetylpiperazin-1-yl)benzoic acid

$$$$ Data

M. F.

C13H16N2O3

Suppliers	Catalog Number
Apollo Scientific	OR2499

Database	Data ID
PubChem	2051458

M. W.

248.27774

CAS

Similarity

N/A

ID: 82281

ethyl 4-chloro-3-nitrobenzoate

$$$$ Data More

M. F.

C9H8ClNO4

Suppliers	Catalog Number
Alfa Aesar	A19338
Maybridge	JP00516
Apollo Scientific	OR24990

Database	Data ID
PubChem	1268247

M. W.

229.61712

CAS

16588-16-2

Similarity

N/A

ID: 82282

3-(dibutylamino)-1,3-dihydro-2-benzofuran-1-one

$$$$ Data

M. F.

C16H23NO2

Suppliers	Catalog Number
Apollo Scientific	OR24991

Database	Data ID
PubChem	2778320

M. W.

261.35932

CAS

Similarity

N/A

ID: 82283

1-{4-[(4-chlorophenyl)sulfanyl]-3-nitrophenyl}ethan-1-one

$$$$ Data

M. F.

C14H10ClNO3S

Suppliers	Catalog Number
Maybridge	JP00670
Apollo Scientific	OR24992

Database	Data ID
PubChem	736721

M. W.

307.7521

CAS

19688-55-2

Similarity

N/A

ID: 82284

1-[3-nitro-4-(pyridin-2-ylsulfanyl)phenyl]ethan-1-one

$$$$ Data

M. F.

C13H10N2O3S

Suppliers	Catalog Number
Apollo Scientific	OR24993

Database	Data ID
PubChem	614998

M. W.

274.2951

CAS

175137-44-7

Similarity

N/A

ID: 82285

3-(3,4-dichlorophenyl)-1-[3-nitro-4-(pyridin-2-ylsulfanyl)phenyl]prop-2-en-1-one

$$$$ Data

M. F.

C20H12Cl2N2O3S

Suppliers	Catalog Number
Apollo Scientific	OR24994

Database	Data ID
PubChem	5708938

M. W.

431.29188

CAS

Similarity

N/A

ID: 82286

1-(3-amino-4-chlorophenyl)ethan-1-one

$$$$ Data

M. F.

C8H8ClNO

Suppliers	Catalog Number
Apollo Scientific	OR24995
Enamine	EN300-62333
Bide Pharmatech	BD50436

Database	Data ID
PubChem	2778325

M. W.

169.60822

CAS

79406-57-8

Similarity

N/A

ID: 82287

3-(2H-1,3-benzodioxol-5-yl)-1-[3-nitro-4-(pyridin-2-ylsulfanyl)phenyl]prop-2-en-...

$$$$ Data

M. F.

C21H14N2O5S

Suppliers	Catalog Number
Apollo Scientific	OR24996

Database	Data ID
PubChem	5708939

M. W.

406.41126

CAS

Similarity

N/A

ID: 82288

2-bromo-1-(4-chloro-3-nitrophenyl)ethan-1-one

$$$$ Data

M. F.

C8H5BrClNO3

Suppliers	Catalog Number
Maybridge	JP00700
Apollo Scientific	OR24997
Enamine	EN300-26952

Database	Data ID
PubChem	2778330

M. W.

278.4872

CAS

22019-49-4

Similarity

N/A

ID: 82289

3-[(2-aminophenyl)sulfanyl]propanenitrile

$$$$ Data

M. F.

C9H10N2S

Suppliers	Catalog Number
Apollo Scientific	OR24998
Enamine	EN300-72785

Database	Data ID
PubChem	2778332

M. W.

178.2541

CAS

4327-52-0

Similarity

N/A

ID: 82290

1-(4-methoxyphenyl)-3-(thiophen-2-yl)prop-2-en-1-one

$$$$ Data

M. F.

C14H12O2S

Suppliers	Catalog Number
Apollo Scientific	OR24999

Database	Data ID
PubChem	5377081

M. W.

244.30888

CAS

Similarity

N/A

ID: 82291

N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide

$$$$ Data

M. F.

C17H14N2O3

Suppliers	Catalog Number
Apollo Scientific	OR2500

Database	Data ID
PubChem	5353441

M. W.

294.30466

CAS

134036-52-5

Similarity

N/A

ID: 82292

1-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)-3-(thiophen-2-yl)prop-2-en-1-one

$$$$ Data

M. F.

C19H20N2O5S

Suppliers	Catalog Number
Apollo Scientific	OR25000

Database	Data ID
PubChem	5708940

M. W.

388.4375

CAS

Similarity

N/A

ID: 82293

1-(3-ethyl-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-3-(thiophen-2-...

$$$$ Data

M. F.

C23H28OS

Suppliers	Catalog Number
Apollo Scientific	OR25001

Database	Data ID
PubChem	5708941

M. W.

352.53282

CAS

Similarity

N/A

ID: 82294

1-(2,4-dimethoxyphenyl)-3-(thiophen-2-yl)prop-2-en-1-one

$$$$ Data

M. F.

C15H14O3S

Suppliers	Catalog Number
Apollo Scientific	OR25002

Database	Data ID
PubChem	5708942

M. W.

274.33486

CAS

Similarity

N/A

ID: 82295

1-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one

$$$$ Data

M. F.

C17H16ClNO

Suppliers	Catalog Number
Apollo Scientific	OR25003

Database	Data ID
PubChem	5342002

M. W.

285.76804

CAS

Similarity

N/A

ID: 82296

4-amino-3,5-dibromobenzohydrazide

$$$$ Data

M. F.

C7H7Br2N3O

Suppliers	Catalog Number
Apollo Scientific	OR25004

Database	Data ID
PubChem	2778341

M. W.

308.95798

CAS

Similarity

N/A

ID: 82297

ethyl [(3,4-dichlorophenyl)carbamoyl]formate

$$$$ Data

M. F.

C10H9Cl2NO3

Suppliers	Catalog Number
Apollo Scientific	OR25005

Database	Data ID
PubChem	2778342

M. W.

262.08936

CAS

Similarity

N/A

ID: 82298

2,3-dichloro-4-{[(4-methoxyphenyl)formamido]imino}but-2-enoic acid

$$$$ Data

M. F.

C12H10Cl2N2O4

Suppliers	Catalog Number
Apollo Scientific	OR25006

Database	Data ID
PubChem	9582194

M. W.

317.1248

CAS

Similarity

N/A

ID: 82299

2,3-dichloro-4-{[3-(4-hydroxyphenyl)propanamido]imino}but-2-enoic acid

$$$$ Data

M. F.

C13H12Cl2N2O4

Suppliers	Catalog Number
Apollo Scientific	OR25007

Database	Data ID
PubChem	9582195

M. W.

331.15138

CAS

Similarity

N/A

ID: 82300

1-[(2-bromo-3-phenylprop-2-en-1-ylidene)amino]-3-methylthiourea

$$$$ Data

M. F.

C11H12BrN3S

Suppliers	Catalog Number
Apollo Scientific	OR25008

Database	Data ID
PubChem	9719890

M. W.

298.20208

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