Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C14H14O

Suppliers	Catalog Number
Apollo Scientific	OR28277

Database	Data ID
PubChem	78462

M. W.

198.26036

CAS

Similarity

N/A

ID: 85302

ethyl 4-(2-oxocyclopentyl)butanoate

$$$$ Data

M. F.

C11H18O3

Suppliers	Catalog Number
Apollo Scientific	OR28278

Database	Data ID
PubChem	558493

M. W.

198.25882

CAS

Similarity

N/A

ID: 85303

(2R,3aS)-8-benzyl-2-(propan-2-yloxy)-octahydro-[1,2]oxazolo[2,3-a]pyridin-8-ium ...

$$$$ Data

M. F.

C17H26BrNO2

Suppliers	Catalog Number
Apollo Scientific	OR28279

Database	Data ID
PubChem	71299513

M. W.

356.29784

CAS

Similarity

N/A

ID: 85304

2-(methylsulfanyl)-5,6-dihydro-4H-1,3-thiazine

$$$$ Data

M. F.

C5H9NS2

Suppliers	Catalog Number
Maybridge	MO00867
Apollo Scientific	OR2828

Database	Data ID
PubChem	2782081

M. W.

147.26166

CAS

58842-19-6

Similarity

N/A

ID: 85305

2,4,6-trinitrophenol; 3-ethenylpyridine

$$$$ Data

M. F.

C13H10N4O7

Suppliers	Catalog Number
Apollo Scientific	OR28280

Database	Data ID
PubChem	44119054

M. W.

334.2411

CAS

Similarity

N/A

ID: 85306

3-(piperidin-2-yl)pyridine

$$$$ Data More

M. F.

C10H14N2

Suppliers	Catalog Number
Sigma Aldrich	A5656 284599
Alfa Aesar	L18484 L12089
Maybridge	RJC03825

Database	Data ID
Wikipedia	Anabasine
PubChem	2181

M. W.

162.23156

CAS

494-52-0

Similarity

N/A

ID: 85307

2-cyano-1-methylpyridin-1-ium iodide

$$$$ Data

M. F.

C7H7IN2

Suppliers	Catalog Number
Apollo Scientific	OR28282

Database	Data ID
PubChem	2795283

M. W.

246.04835

CAS

Similarity

N/A

ID: 85308

ethyl 3-[4-methoxy-3-(4-methylphenoxy)phenyl]prop-2-enoate

$$$$ Data

M. F.

C19H20O4

Suppliers	Catalog Number
Apollo Scientific	OR28283

Database	Data ID
PubChem	5378794

M. W.

312.3597

CAS

Similarity

N/A

ID: 85309

2-[4-(4-methoxy-3-{4-[(phenylsulfanyl)methyl]phenoxy}phenyl)butyl]oxirane

$$$$ Data

M. F.

C26H28O3S

Suppliers	Catalog Number
Apollo Scientific	OR28284

Database	Data ID
PubChem	628353

M. W.

420.56372

CAS

Similarity

N/A

ID: 85310

benzyl N-(prop-2-en-1-yl)carbamate

$$$$ Data

M. F.

C11H13NO2

Suppliers	Catalog Number
Apollo Scientific	OR28285

Database	Data ID
PubChem	562279

M. W.

191.22642

CAS

Similarity

N/A

ID: 85311

2-hydroxy-9,10-dihydroanthracene-9,10-dione

$$$$ Data

M. F.

C14H8O3

Suppliers	Catalog Number
Apollo Scientific	OR28286

Database	Data ID
PubChem	11796

M. W.

224.21152

CAS

Similarity

N/A

ID: 85312

tert-butyl 3-hydroxy-2,4-dimethyl-3-(propan-2-yl)pentanoate

$$$$ Data

M. F.

C14H28O3

Suppliers	Catalog Number
Apollo Scientific	OR28287

Database	Data ID
PubChem	2795284

M. W.

244.37032

CAS

Similarity

N/A

ID: 85313

1,2-dimethyl (1R,2S)-cyclohexane-1,2-dicarboxylate

$$$$ Data

M. F.

C10H16O4

Suppliers	Catalog Number
Apollo Scientific	OR28288

Database	Data ID
PubChem	642993

M. W.

200.23164

CAS

Similarity

N/A

ID: 85314

1,3,8-trinitro-9H-fluorene

$$$$ Data

M. F.

C13H7N3O6

Suppliers	Catalog Number
Apollo Scientific	OR28289

Database	Data ID
PubChem	5066639

M. W.

301.21118

CAS

Similarity

N/A

ID: 85315

2,7-bis[2-(dimethylamino)ethoxy]-9H-fluoren-9-one dihydrochloride

$$$$ Data

M. F.

C21H28Cl2N2O3

Suppliers	Catalog Number
Apollo Scientific	OR2829

Database	Data ID
PubChem	3015427

M. W.

427.36462

CAS

Similarity

N/A

ID: 85316

(5R,9R)-1-azatricyclo[7.3.1.0^{5,13}]tridecane; 2,4,6-trinitrophenol

$$$$ Data

M. F.

C18H24N4O7

Suppliers	Catalog Number
Apollo Scientific	OR28290

Database	Data ID
PubChem	71299514

M. W.

408.40576

CAS

Similarity

N/A

ID: 85317

(1R,4R,12S)-8-azatricyclo[6.3.1.0^{4,12}]dodecane; 2,4,6-trinitrophenol

$$$$ Data

M. F.

C17H22N4O7

Suppliers	Catalog Number
Apollo Scientific	OR28291

Database	Data ID
PubChem	71299516

M. W.

394.37918

CAS

Similarity

N/A

ID: 85318

[(4-acetylphenyl)methyl]trimethylazanium bromide

$$$$ Data

M. F.

C12H18BrNO

Suppliers	Catalog Number
Apollo Scientific	OR28292

Database	Data ID
PubChem	44119058

M. W.

272.18142

CAS

Similarity

N/A

ID: 85319

4,7-dimethyl-1,3-dihydro-2-benzofuran-1,3-dione

$$$$ Data

M. F.

C10H8O3

Suppliers	Catalog Number
Apollo Scientific	OR28293

Database	Data ID
PubChem	21616

M. W.

176.16872

CAS

Similarity

N/A

ID: 85320

(2R,3aS)-8-benzyl-2-(2-methylpropoxy)-octahydro-[1,2]oxazolo[2,3-a]pyridin-8-ium...

$$$$ Data

M. F.

C18H28BrNO2

Suppliers	Catalog Number
Apollo Scientific	OR28294

Database	Data ID
PubChem	71299518

M. W.

370.32442

CAS

Similarity

N/A

ID: 85321

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

$$$$ Data

M. F.

C8H8ClNO2

Suppliers	Catalog Number
Apollo Scientific	OR28295

Database	Data ID
PubChem	555712

M. W.

185.60762

CAS

Similarity

N/A

ID: 85322

2-{[(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]amino}benzonitrile

$$$$ Data

M. F.

C18H13ClN4

Suppliers	Catalog Number
Apollo Scientific	OR28296

Database	Data ID
PubChem	2795287

M. W.

320.77562

CAS

Similarity

N/A

ID: 85323

3-oxo-2-(2-phenylhydrazin-1-ylidene)-3-(thiophen-2-yl)propanal

$$$$ Data

M. F.

C13H10N2O2S

Suppliers	Catalog Number
Apollo Scientific	OR28297

Database	Data ID
PubChem	5399098

M. W.

258.2957

CAS

Similarity

N/A

ID: 85324

3-methyl-2-phenylbutanenitrile

$$$$ Data

M. F.

C11H13N

Suppliers	Catalog Number
Alfa Aesar	B24233
Apollo Scientific	OR28298
A&J Pharmtech	AJA-O4418

Database	Data ID
PubChem	249722

M. W.

159.22762

CAS

5558-29-2

Similarity

N/A

ID: 85325

7,7-dichloro-1-methylbicyclo[4.1.0]heptane

$$$$ Data

M. F.

C8H12Cl2

Suppliers	Catalog Number
Apollo Scientific	OR28299

Database	Data ID
PubChem	549314

M. W.

179.08688

CAS

Similarity

N/A

ID: 85326

1,1-dichloro-2-(chloromethyl)-2-methylcyclopropane

$$$$ Data

M. F.

C5H7Cl3

Suppliers	Catalog Number
Apollo Scientific	OR28300

Database	Data ID
PubChem	338453

M. W.

173.46808

CAS

Similarity

N/A

ID: 85327

9,9-dichlorobicyclo[6.1.0]nonane

$$$$ Data

M. F.

C9H14Cl2

Suppliers	Catalog Number
Apollo Scientific	OR28301

Database	Data ID
PubChem	289750

M. W.

193.11346

CAS

Similarity

N/A

ID: 85328

[(2,2-dibromo-3-methylcyclopropyl)methyl]triphenylphosphanium iodide

$$$$ Data

M. F.

C23H22Br2IP

Suppliers	Catalog Number
Apollo Scientific	OR28302

Database	Data ID
PubChem	2795288

M. W.

616.107011

CAS

Similarity

N/A

ID: 85329

1,1,1-trichloropropan-2-yl propanoate

$$$$ Data

M. F.

C6H9Cl3O2

Suppliers	Catalog Number
Apollo Scientific	OR28303

Database	Data ID
PubChem	546268

M. W.

219.49346

CAS

Similarity

N/A

ID: 85330

propan-2-yl 2,2-dichloro-3-methylcyclopropane-1-carboxylate

$$$$ Data

M. F.

C8H12Cl2O2

Suppliers	Catalog Number
Apollo Scientific	OR28304

Database	Data ID
PubChem	15652393

M. W.

211.08568

CAS

Similarity

N/A

ID: 85331

{7-chlorobicyclo[4.1.0]heptan-7-yl}trimethylsilane

$$$$ Data

M. F.

C10H19ClSi

Suppliers	Catalog Number
Apollo Scientific	OR28305

Database	Data ID
PubChem	564487

M. W.

202.79636

CAS

Similarity

N/A

ID: 85332

6-pentyl-2H-pyran-2-one

$$$$ Data

M. F.

C10H14O2

Suppliers	Catalog Number
Sigma Aldrich	W369608
Apollo Scientific	OR28306

Database	Data ID
PubChem	33960

M. W.

166.21696

CAS

27593-23-3

Similarity

N/A

ID: 85333

ethyl 4-methyl-1,3-oxazole-5-carboxylate

$$$$ Data More

M. F.

C7H9NO3

Suppliers	Catalog Number
Alfa Aesar	H52404
Apollo Scientific	OR28307
Enamine	EN300-27662

Database	Data ID
PubChem	88558

M. W.

155.15126

CAS

20485-39-6

Similarity

N/A

ID: 85334

2-[(4-methylphenyl)amino]-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde

$$$$ Data

M. F.

C16H13N3O2

Suppliers	Catalog Number
Apollo Scientific	OR28308

Database	Data ID
PubChem	737121

M. W.

279.29332

CAS

Similarity

N/A

ID: 85335

2-[(4-methylphenyl)sulfanyl]-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde

$$$$ Data

M. F.

C16H12N2O2S

Suppliers	Catalog Number
Apollo Scientific	OR28309
Enamine	EN300-00975

Database	Data ID
PubChem	693097

M. W.

296.34368

CAS

Similarity

N/A

ID: 85336

N-(3-aminopropyl)-5-chloronaphthalene-2-sulfonamide hydrochloride

$$$$ Data

M. F.

C13H16Cl2N2O2S

Suppliers	Catalog Number
Apollo Scientific	OR2830T
TRC	A628300

Database	Data ID
PubChem	44118863

M. W.

335.24934

CAS

210049-20-0

Similarity

N/A

ID: 85337

2-(morpholin-4-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde

$$$$ Data

M. F.

C13H13N3O3

Suppliers	Catalog Number
Apollo Scientific	OR28310
InterBioScreen	BB_SC-1634
Enamine	EN300-01120

Database	Data ID
PubChem	702108

M. W.

259.26062

CAS

302326-01-8

Similarity

N/A

ID: 85338

3-hydroxy-1λ⁶-thiolane-1,1-dione

$$$$ Data More

M. F.

C4H8O3S

Suppliers	Catalog Number
ChemBridge	4030368
Maybridge	RJC03983
Apollo Scientific	OR28311

Database	Data ID
PubChem	98932

M. W.

136.16952

CAS

13031-76-0

Similarity

N/A

ID: 85339

8-hydroxy-8-azabicyclo[3.2.1]octan-3-one hydrochloride

$$$$ Data

M. F.

C7H12ClNO2

Suppliers	Catalog Number
Apollo Scientific	OR28312

Database	Data ID
PubChem	2795290

M. W.

177.62868

CAS

Similarity

N/A

ID: 85340

1,2-dimethoxy-4,5-dinitrobenzene

$$$$ Data More

M. F.

C8H8N2O6

Suppliers	Catalog Number
Alfa Aesar	L11706
Apollo Scientific	OR28313
InterBioScreen	BB_SC-0307

Database	Data ID
PubChem	222989

M. W.

228.15892

CAS

3395-03-7

Similarity

N/A

ID: 85341

(2,4-dimethoxyphenyl)methanol

$$$$ Data More

M. F.

C9H12O3

Suppliers	Catalog Number
Sigma Aldrich	159638
MP Biomedicals	05206038
Alfa Aesar	B24358

Database	Data ID
PubChem	81750

M. W.

168.18978

CAS

7314-44-5

Similarity

N/A

ID: 85342

triphenyl(propan-2-yl)phosphanium bromide

$$$$ Data

M. F.

C21H22BrP

Suppliers	Catalog Number
Apollo Scientific	OR28315
TRC	P838335

Database	Data ID
PubChem	2795292

M. W.

385.277141

CAS

1530-33-2

Similarity

N/A

ID: 85343

4-oxo-2-[(4-phenyl-4H-1,2,3-triazol-5-yl)sulfanyl]-4H-pyrido[1,2-a]pyrimidine-3-...

$$$$ Data

M. F.

C17H11N5O2S

Suppliers	Catalog Number
Apollo Scientific	OR28316

Database	Data ID
PubChem	2795293

M. W.

349.36654

CAS

Similarity

N/A

ID: 85344

2,5-dichloro-4-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)benzene-1-sulfonic acid dihyd...

$$$$ Data

M. F.

C10H12Cl2N2O6S

Suppliers	Catalog Number
Apollo Scientific	OR28317

Database	Data ID
PubChem	2795294

M. W.

359.18308

CAS

306935-68-2

Similarity

N/A

ID: 85345

4-(4-chlorophenyl)-2-[(3,5-dichlorophenyl)amino]-3-ethyl-1,3-thiazol-3-ium bromi...

$$$$ Data

M. F.

C17H14BrCl3N2S

Suppliers	Catalog Number
Apollo Scientific	OR28319

Database	Data ID
PubChem	2795297

M. W.

464.63446

CAS

Similarity

N/A

ID: 85346

1,3-dimethyl propanedioate

$$$$ Data More

M. F.

C5H8O4

Suppliers	Catalog Number
Sigma Aldrich	241040 136441 63380
Alfa Aesar	A11007
Apollo Scientific	OR2832

Database	Data ID
Wikipedia	Dimethyl_malonate
PubChem	7943

M. W.

132.11462

CAS

108-59-8

Similarity

N/A

ID: 85347

5-[(2,6-dichlorophenyl)methyl]-2-{[(2,6-dichlorophenyl)methyl]sulfanyl}-6-methyl...

$$$$ Data

M. F.

C23H23Cl4N2O3PS2

Suppliers	Catalog Number
Apollo Scientific	OR28320

Database	Data ID
PubChem	2795300

M. W.

612.356081

CAS

Similarity

N/A

ID: 85348

1-cyclopropyl-3-ethylthiourea

$$$$ Data

M. F.

C6H12N2S

Suppliers	Catalog Number
Apollo Scientific	OR28321

Database	Data ID
PubChem	2795302

M. W.

144.23788

CAS

Similarity

N/A

ID: 85349

4-(4-chlorophenyl)-2-(cyclopropylamino)-3-ethyl-1,3-thiazol-3-ium bromide

$$$$ Data

M. F.

C14H16BrClN2S

Suppliers	Catalog Number
Apollo Scientific	OR28322

Database	Data ID
PubChem	2795303

M. W.

359.71224

CAS

Similarity

N/A

ID: 85350

1-(4-chlorophenyl)-4,4-dimethylpent-1-en-3-one

$$$$ Data

M. F.

C13H15ClO

Suppliers	Catalog Number
Apollo Scientific	OR28324

Database	Data ID
PubChem	5388510

M. W.

222.7106

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