Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C8H12BrNOS2

Suppliers	Catalog Number
Apollo Scientific	OR23840

Database	Data ID
PubChem	2777051

M. W.

282.22098

CAS

Similarity

N/A

ID: 81202

2,4,6-tribromo-5,5-dimethylcyclohexane-1,3-dione

$$$$ Data

M. F.

C8H9Br3O2

Suppliers	Catalog Number
Apollo Scientific	OR23841

Database	Data ID
PubChem	2777053

M. W.

376.86786

CAS

Similarity

N/A

ID: 81203

2-cyano-3-oxobutanethioamide

$$$$ Data

M. F.

C5H6N2OS

Suppliers	Catalog Number
Apollo Scientific	OR23842

Database	Data ID
PubChem	2777054

M. W.

142.17894

CAS

58955-28-5

Similarity

N/A

ID: 81204

6-chloro-N-(5-methyl-1,2-oxazol-3-yl)hexanamide

$$$$ Data

M. F.

C10H15ClN2O2

Suppliers	Catalog Number
Apollo Scientific	OR23843

Database	Data ID
PubChem	2777055

M. W.

230.6913

CAS

Similarity

N/A

ID: 81205

$$$$ Data

M. F.

C8H12BrNS3

Suppliers	Catalog Number
Apollo Scientific	OR23844

Database	Data ID
PubChem	2777056

M. W.

298.28658

CAS

Similarity

N/A

ID: 81206

2,3,5,5-tetrabromo-4,4-dimethylcyclopent-2-en-1-one

$$$$ Data

M. F.

C7H6Br4O

Suppliers	Catalog Number
Apollo Scientific	OR23845

Database	Data ID
PubChem	2777058

M. W.

425.73794

CAS

Similarity

N/A

ID: 81207

3-amino-2-phenyl-1H-inden-1-one

$$$$ Data

M. F.

C15H11NO

Suppliers	Catalog Number
Alfa Aesar	A11397
Maybridge	CD09182
Apollo Scientific	OR23846

Database	Data ID
PubChem	291219

M. W.

221.25394

CAS

1947-47-3

Similarity

N/A

ID: 81208

2,3,5-tribromo-4,4-dimethylcyclopent-2-en-1-one

$$$$ Data

M. F.

C7H7Br3O

Suppliers	Catalog Number
Apollo Scientific	OR23847

Database	Data ID
PubChem	2777060

M. W.

346.84188

CAS

Similarity

N/A

ID: 81209

5-(2,5-dichlorothiophen-3-yl)-N-(trichloroethenyl)-1H-pyrazole-1-carboxamide

$$$$ Data

M. F.

C10H4Cl5N3OS

Suppliers	Catalog Number
Apollo Scientific	OR23848

Database	Data ID
PubChem	2777061

M. W.

391.48826

CAS

Similarity

N/A

ID: 81210

1-[1-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]propan-2-one

$$$$ Data

M. F.

C9H10N4O2

Suppliers	Catalog Number
Apollo Scientific	OR23849

Database	Data ID
PubChem	342582

M. W.

206.2013

CAS

92658-77-0

Similarity

N/A

ID: 81211

3-bromo-N-(5-methyl-1,2-oxazol-3-yl)propanamide

$$$$ Data

M. F.

C7H9BrN2O2

Suppliers	Catalog Number
Apollo Scientific	OR23850

Database	Data ID
PubChem	2777064

M. W.

233.06256

CAS

Similarity

N/A

ID: 81212

2-[amino(methylsulfanyl)methylidene]-3-oxobutanenitrile

$$$$ Data

M. F.

C6H8N2OS

Suppliers	Catalog Number
Apollo Scientific	OR23851

Database	Data ID
PubChem	6374225

M. W.

156.20552

CAS

58955-39-8

Similarity

N/A

ID: 81213

6-chloro-N-(3-nitrophenyl)hexanamide

$$$$ Data

M. F.

C12H15ClN2O3

Suppliers	Catalog Number
Apollo Scientific	OR23852

Database	Data ID
PubChem	2777067

M. W.

270.7121

CAS

Similarity

N/A

ID: 81214

{1-[2-(5-methyl-1,2-oxazol-3-yl)-2H-1,2,3,4-tetrazol-5-yl]propan-2-ylidene}amino...

$$$$ Data

M. F.

C11H9Cl3N6O3

Suppliers	Catalog Number
Apollo Scientific	OR23854

Database	Data ID
PubChem	5867756

M. W.

379.58656

CAS

Similarity

N/A

ID: 81215

1-{5-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]pentyl}pyridin-1-ium chloride

$$$$ Data

M. F.

C15H20ClN3O2

Suppliers	Catalog Number
Apollo Scientific	OR23855

Database	Data ID
PubChem	2777069

M. W.

309.7912

CAS

Similarity

N/A

ID: 81216

N-amino-2-cyano-3-oxobutanimidamide

$$$$ Data

M. F.

C5H8N4O

Suppliers	Catalog Number
Apollo Scientific	OR23856

Database	Data ID
PubChem	9582145

M. W.

140.14322

CAS

58955-41-2

Similarity

N/A

ID: 81217

3-[3-(2,3-dichlorophenyl)triaz-2-en-1-yl]-5-methyl-1,2-oxazole

$$$$ Data

M. F.

C10H8Cl2N4O

Suppliers	Catalog Number
Apollo Scientific	OR23857

Database	Data ID
PubChem	2777072

M. W.

271.10272

CAS

Similarity

N/A

ID: 81218

3-bromo-2,5-dichlorothiophene

$$$$ Data

M. F.

C4HBrCl2S

Suppliers	Catalog Number
Alfa Aesar	A10603
Maybridge	CD09413
Apollo Scientific	OR23859

Database	Data ID
PubChem	521925

M. W.

231.92574

CAS

60404-18-4

Similarity

N/A

ID: 81219

2-chloro-4-hydroxybenzoic acid hydrate

$$$$ Data

M. F.

C7H7ClO4

Suppliers	Catalog Number
Apollo Scientific	OR2386
TRC	C366595

Database	Data ID
PubChem	53395443

M. W.

190.58108

CAS

440123-65-9

Similarity

N/A

ID: 81220

2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]pyridin-1-ium-1-olate

$$$$ Data

M. F.

C11H15NO2S

Suppliers	Catalog Number
Apollo Scientific	OR23860

Database	Data ID
PubChem	2777075

M. W.

225.3073

CAS

Similarity

N/A

ID: 81221

2-{[2-(hydroxyimino)-3,3-dimethylbutyl]sulfanyl}pyridin-1-ium-1-olate

$$$$ Data

M. F.

C11H16N2O2S

Suppliers	Catalog Number
Apollo Scientific	OR23861

Database	Data ID
PubChem	5708770

M. W.

240.32194

CAS

Similarity

N/A

ID: 81222

2-[(3,3-dimethyl-2-{[(phenylcarbamoyl)oxy]imino}butyl)sulfanyl]pyridin-1-ium-1-o...

$$$$ Data

M. F.

C18H21N3O3S

Suppliers	Catalog Number
Apollo Scientific	OR23862

Database	Data ID
PubChem	5708771

M. W.

359.44264

CAS

Similarity

N/A

ID: 81223

2-{[2-({[(4-chlorophenyl)carbamoyl]oxy}imino)-3,3-dimethylbutyl]sulfanyl}pyridin...

$$$$ Data

M. F.

C18H20ClN3O3S

Suppliers	Catalog Number
Apollo Scientific	OR23863

Database	Data ID
PubChem	6508902

M. W.

393.8877

CAS

Similarity

N/A

ID: 81224

2-[(3,3-dimethyl-2-{[(methylcarbamoyl)oxy]imino}butyl)sulfanyl]pyridin-1-ium-1-o...

$$$$ Data

M. F.

C13H19N3O3S

Suppliers	Catalog Number
Apollo Scientific	OR23864

Database	Data ID
PubChem	5708773

M. W.

297.37326

CAS

Similarity

N/A

ID: 81225

2,5-dichlorothiophene-3-carbonyl chloride

$$$$ Data

M. F.

C5HCl3OS

Suppliers	Catalog Number
Maybridge	CD09458
Apollo Scientific	OR23865

Database	Data ID
PubChem	2777084

M. W.

215.48484

CAS

57248-14-3

Similarity

N/A

ID: 81226

3-(methylamino)-3,4-dihydroquinazolin-4-one

$$$$ Data

M. F.

C9H9N3O

Suppliers	Catalog Number
Apollo Scientific	OR23867

Database	Data ID
PubChem	2777086

M. W.

175.18726

CAS

60512-86-9

Similarity

N/A

ID: 81227

methyl 2-[(ethoxymethylidene)amino]benzoate

$$$$ Data

M. F.

C11H13NO3

Suppliers	Catalog Number
Apollo Scientific	OR23868

Database	Data ID
PubChem	2777087

M. W.

207.22582

CAS

Similarity

N/A

ID: 81228

1-[(methylsulfanyl)methyl]piperidine

$$$$ Data

M. F.

C7H15NS

Suppliers	Catalog Number
Apollo Scientific	OR23869

Database	Data ID
PubChem	2777089

M. W.

145.2657

CAS

Similarity

N/A

ID: 81229

3,5-di-tert-butylaniline

$$$$ Data

M. F.

C14H23N

Suppliers	Catalog Number
Sigma Aldrich	273104
Alfa Aesar	H32768
Apollo Scientific	OR2387

Database	Data ID
PubChem	75419

M. W.

205.33912

CAS

2380-36-1

Similarity

N/A

ID: 81230

3,5-dimethyl-1H-pyrazole-1-carboxamide

$$$$ Data

M. F.

C6H9N3O

Suppliers	Catalog Number
Sigma Aldrich	D182206
Alfa Aesar	A14523
Apollo Scientific	OR23871

Database	Data ID
PubChem	70280

M. W.

139.15516

CAS

934-48-5

Similarity

N/A

ID: 81231

3-[(methylsulfanyl)methyl]pentane-2,4-dione

$$$$ Data

M. F.

C7H12O2S

Suppliers	Catalog Number
Apollo Scientific	OR23872

Database	Data ID
PubChem	2777092

M. W.

160.23398

CAS

Similarity

N/A

ID: 81232

1,2-dimethyl-3-({4-[3-(morpholin-4-yl)phenoxycarbonyl]phenyl}methyl)-1H-imidazol...

$$$$ Data

M. F.

C23H26ClN3O3

Suppliers	Catalog Number
Apollo Scientific	OR23873

Database	Data ID
PubChem	2777094

M. W.

427.92384

CAS

Similarity

N/A

ID: 81233

2-(pyridin-3-yl)-3H-imidazo[4,5-b]pyridin-1-ium-1-olate

$$$$ Data

M. F.

C11H8N4O

Suppliers	Catalog Number
Apollo Scientific	OR23874

Database	Data ID
PubChem	2777097

M. W.

212.20742

CAS

Similarity

N/A

ID: 81234

2-(2-nitrophenyl)prop-2-enal

$$$$ Data

M. F.

C9H7NO3

Suppliers	Catalog Number
Maybridge	CD09668
Apollo Scientific	OR23876

Database	Data ID
PubChem	2777099

M. W.

177.15678

CAS

71463-16-6

Similarity

N/A

ID: 81235

3-(dimethylamino)-2-(2-nitrophenyl)prop-2-enal

$$$$ Data

M. F.

C11H12N2O3

Suppliers	Catalog Number
Apollo Scientific	OR23877

Database	Data ID
PubChem	2777101

M. W.

220.22458

CAS

53868-36-3

Similarity

N/A

ID: 81236

2-{[(N'-hydroxycarbamimidoyl)methyl]sulfanyl}pyridin-1-ium-1-olate

$$$$ Data

M. F.

C7H9N3O2S

Suppliers	Catalog Number
Apollo Scientific	OR23878

Database	Data ID
PubChem	9582146

M. W.

199.23026

CAS

Similarity

N/A

ID: 81237

6-methyl-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-5-one

$$$$ Data More

M. F.

C4H5N3OS

Suppliers	Catalog Number
Sigma Aldrich	275514 82393
MP Biomedicals	05202057 02100839
Alfa Aesar	A14167

Database	Data ID
PubChem	1263666

M. W.

143.167

CAS

615-76-9

Similarity

N/A

ID: 81238

1-[(phenylsulfanyl)methyl]piperidine

$$$$ Data

M. F.

C12H17NS

Suppliers	Catalog Number
Apollo Scientific	OR23880

Database	Data ID
PubChem	245710

M. W.

207.33508

CAS

Similarity

N/A

ID: 81239

1-(dimethyl-1,3-thiazol-5-yl)ethan-1-one

$$$$ Data More

M. F.

C7H9NOS

Suppliers	Catalog Number
Sigma Aldrich	298085
Alfa Aesar	A13741
Apollo Scientific	OR23881

Database	Data ID
PubChem	520888

M. W.

155.21746

CAS

38205-60-6

Similarity

N/A

ID: 81240

3-(furan-2-yl)-4-methyl-1H-pyrazole

$$$$ Data

M. F.

C8H8N2O

Suppliers	Catalog Number
Apollo Scientific	OR23883

Database	Data ID
PubChem	2777107

M. W.

148.16192

CAS

Similarity

N/A

ID: 81241

1-(2-chlorophenyl)propan-2-one

$$$$ Data

M. F.

C9H9ClO

Suppliers	Catalog Number
Alfa Aesar	L09846
Apollo Scientific	OR23885
Enamine	EN300-82845

Database	Data ID
PubChem	229355

M. W.

168.62016

CAS

6305-95-9

Similarity

N/A

ID: 81242

4-(2-methoxyphenyl)-3-methyl-1H-pyrazole

$$$$ Data

M. F.

C11H12N2O

Suppliers	Catalog Number
Apollo Scientific	OR23887

Database	Data ID
PubChem	2777110

M. W.

188.22578

CAS

Similarity

N/A

ID: 81243

(3E)-4-(4-chlorophenyl)but-3-en-2-one

$$$$ Data More

M. F.

C10H9ClO

Suppliers	Catalog Number
Sigma Aldrich	546313
Alfa Aesar	L05321
Maybridge	CD09801

Database	Data ID
PubChem	736572

M. W.

180.63086

CAS

3160-40-5

Similarity

N/A

ID: 81244

1-(4-chlorophenyl)-5-(dimethylamino)penta-1,4-dien-3-one

$$$$ Data

M. F.

C13H14ClNO

Suppliers	Catalog Number
Apollo Scientific	OR23889

Database	Data ID
PubChem	5399048

M. W.

235.70936

CAS

Similarity

N/A

ID: 81245

2-(benzyloxy)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

$$$$ Data More

M. F.

C18H22BNO3

Suppliers	Catalog Number
Sigma Aldrich	715484
Alfa Aesar	H27708
Apollo Scientific	OR2389

Database	Data ID
PubChem	17750217

M. W.

311.18318

CAS

832735-54-3

Similarity

N/A

ID: 81246

6-phenylhexa-3,5-dien-2-one

$$$$ Data

M. F.

C12H12O

Suppliers	Catalog Number
Apollo Scientific	OR23890

Database	Data ID
PubChem	5708783

M. W.

172.22308

CAS

Similarity

N/A

ID: 81247

(3E)-4-(2,6-dichlorophenyl)but-3-en-2-one

$$$$ Data

M. F.

C10H8Cl2O

Suppliers	Catalog Number
Alfa Aesar	L05706
Maybridge	CD09843
Apollo Scientific	OR23892

Database	Data ID
PubChem	5708785

M. W.

215.07592

CAS

81559-89-9

Similarity

N/A

ID: 81248

3-amino-N-[2-(methylsulfanyl)ethyl]-4-oxo-3,4-dihydroquinazoline-2-carboxamide

$$$$ Data

M. F.

C12H14N4O2S

Suppliers	Catalog Number
Apollo Scientific	OR23893

Database	Data ID
PubChem	583283

M. W.

278.33016

CAS

Similarity

N/A

ID: 81249

2-{[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]sulfanyl}pyridin-1-ium-1-olate

$$$$ Data

M. F.

C11H7Cl2NO2S2

Suppliers	Catalog Number
Apollo Scientific	OR23894

Database	Data ID
PubChem	2777113

M. W.

320.21478

CAS

Similarity

N/A

ID: 81250

2-methyl-1,3-dithian-5-ol

$$$$ Data

M. F.

C5H10OS2

Suppliers	Catalog Number
Apollo Scientific	OR23896

Database	Data ID
PubChem	2777116

M. W.

150.2623

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