Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C13H9ClO3

Suppliers	Catalog Number
Sigma Aldrich	659509
Apollo Scientific	OR12607

Database	Data ID
PubChem	3798102

M. W.

248.66176

CAS

21120-67-2

Similarity

N/A

ID: 76152

4-(4-methylphenoxy)benzoic acid

$$$$ Data

M. F.

C14H12O3

Suppliers	Catalog Number
Sigma Aldrich	659517
Apollo Scientific	OR12609

Database	Data ID
PubChem	291994

M. W.

228.24328

CAS

21120-65-0

Similarity

N/A

ID: 76153

4-phenoxybenzaldehyde

$$$$ Data More

M. F.

C13H10O2

Suppliers	Catalog Number
Sigma Aldrich	211265 77702
Alfa Aesar	B22329
Apollo Scientific	OR12611

Database	Data ID
PubChem	66139

M. W.

198.2173

CAS

67-36-7

Similarity

N/A

ID: 76154

4-(4-chlorophenoxy)benzaldehyde

$$$$ Data More

M. F.

C13H9ClO2

Suppliers	Catalog Number
Sigma Aldrich	661309
Alfa Aesar	H50451
Apollo Scientific	OR12612

Database	Data ID
PubChem	3851764

M. W.

232.66236

CAS

61343-99-5

Similarity

N/A

ID: 76155

4-{[1,3]oxazolo[4,5-b]pyridin-2-yl}aniline

$$$$ Data

M. F.

C12H9N3O

Suppliers	Catalog Number
Apollo Scientific	OR12613
InterBioScreen	BB_SC-0790

Database	Data ID
PubChem	486277

M. W.

211.21936

CAS

Similarity

N/A

ID: 76156

4-(pyridin-2-yloxy)benzene-1-sulfonyl chloride hydrochloride

$$$$ Data

M. F.

C11H9Cl2NO3S

Suppliers	Catalog Number
Apollo Scientific	OR12616

Database	Data ID
PubChem	17998865

M. W.

306.16506

CAS

Similarity

N/A

ID: 76157

4-(pyridin-3-yloxy)benzene-1-sulfonyl chloride hydrochloride

$$$$ Data

M. F.

C11H9Cl2NO3S

Suppliers	Catalog Number
Alfa Aesar	H50716
Apollo Scientific	OR12617

Database	Data ID
PubChem	17998866

M. W.

306.16506

CAS

1171901-60-2

Similarity

N/A

ID: 76158

4-(pyridin-4-yloxy)benzene-1-sulfonyl chloride hydrochloride

$$$$ Data

M. F.

C11H9Cl2NO3S

Suppliers	Catalog Number
Apollo Scientific	OR12618

Database	Data ID
PubChem	2735257

M. W.

306.16506

CAS

192330-49-7

Similarity

N/A

ID: 76159

4-(3,5-dichlorophenoxy)benzene-1-sulfonyl chloride

$$$$ Data

M. F.

C12H7Cl3O3S

Suppliers	Catalog Number
Apollo Scientific	OR12621

Database	Data ID
PubChem	3682395

M. W.

337.60618

CAS

Similarity

N/A

ID: 76160

5-hydroxy-1-methyl-1H-pyrazole-3-carboxylic acid

$$$$ Data

M. F.

C5H6N2O3

Suppliers	Catalog Number
Apollo Scientific	OR12623
Bide Pharmatech	BD167989
A&J Pharmtech	AJA-O37706

Database	Data ID
PubChem	12251617

M. W.

142.11274

CAS

58364-97-9

Similarity

N/A

ID: 76161

5-chloro-1-methyl-1H-pyrazole-3-carboxylic acid

$$$$ Data

M. F.

C5H5ClN2O2

Suppliers	Catalog Number
Apollo Scientific	OR12624

Database	Data ID
PubChem	26370411

M. W.

160.5584

CAS

Similarity

N/A

ID: 76162

ethyl 5-chloro-4-formyl-1-methyl-1H-pyrazole-3-carboxylate

$$$$ Data

M. F.

C8H9ClN2O3

Suppliers	Catalog Number
Apollo Scientific	OR12625
A&J Pharmtech	AJA-O14207

Database	Data ID
PubChem	26370412

M. W.

216.62166

CAS

946061-21-8

Similarity

N/A

ID: 76163

1-(1-methyl-1H-pyrazol-3-yl)ethan-1-one

$$$$ Data

M. F.

C6H8N2O

Suppliers	Catalog Number
Apollo Scientific	OR12628

Database	Data ID
PubChem	15710468

M. W.

124.14052

CAS

Similarity

N/A

ID: 76164

1-(1-methyl-1H-pyrazol-3-yl)ethan-1-ol

$$$$ Data

M. F.

C6H10N2O

Suppliers	Catalog Number
Apollo Scientific	OR12629

Database	Data ID
PubChem	14948638

M. W.

126.1564

CAS

Similarity

N/A

ID: 76165

5-(methylsulfanyl)thiophene-2-carbaldehyde

$$$$ Data

M. F.

C6H6OS2

Suppliers	Catalog Number
Maybridge	SEW03493
Apollo Scientific	OR1263

Database	Data ID
PubChem	2736997

M. W.

158.24124

CAS

24445-35-0

Similarity

N/A

ID: 76166

1-(1-methyl-1H-pyrazol-3-yl)ethan-1-amine

$$$$ Data

M. F.

C6H11N3

Suppliers	Catalog Number
Apollo Scientific	OR12630

Database	Data ID
PubChem	19616543

M. W.

125.17164

CAS

Similarity

N/A

ID: 76167

[4-(4-chlorophenyl)phenyl]methanamine hydrochloride

$$$$ Data

M. F.

C13H13Cl2N

Suppliers	Catalog Number
Apollo Scientific	OR12633

Database	Data ID
PubChem	17998851

M. W.

254.15502

CAS

Similarity

N/A

ID: 76168

[4-(3,5-dichlorophenyl)phenyl]methanamine hydrochloride

$$$$ Data

M. F.

C13H12Cl3N

Suppliers	Catalog Number
Apollo Scientific	OR12634
Chemik	CHB79048

Database	Data ID
PubChem	17998852

M. W.

288.60008

CAS

518357-39-6

Similarity

N/A

ID: 76169

[4-(3,4-dichlorophenyl)phenyl]methanamine hydrochloride

$$$$ Data

M. F.

C13H12Cl3N

Suppliers	Catalog Number
Apollo Scientific	OR12635

Database	Data ID
PubChem	17998853

M. W.

288.60008

CAS

Similarity

N/A

ID: 76170

[4-(4-methylphenyl)phenyl]methanamine hydrochloride

$$$$ Data

M. F.

C14H16ClN

Suppliers	Catalog Number
Apollo Scientific	OR12637

Database	Data ID
PubChem	17998855

M. W.

233.73654

CAS

Similarity

N/A

ID: 76171

[4-(2-chlorophenyl)phenyl]methanamine hydrochloride

$$$$ Data

M. F.

C13H13Cl2N

Suppliers	Catalog Number
Apollo Scientific	OR12640

Database	Data ID
PubChem	17998858

M. W.

254.15502

CAS

Similarity

N/A

ID: 76172

1-(adamantan-1-yl)ethan-1-one

$$$$ Data More

M. F.

C12H18O

Suppliers	Catalog Number
Alfa Aesar	H55889
Apollo Scientific	OR1265
InterBioScreen	BB_SC-5370

Database	Data ID
PubChem	123126

M. W.

178.27072

CAS

1660-04-4

Similarity

N/A

ID: 76173

4-(3,5-dichlorophenyl)benzaldehyde

$$$$ Data

M. F.

C13H8Cl2O

Suppliers	Catalog Number
Apollo Scientific	OR12653

Database	Data ID
PubChem	2758154

M. W.

251.10802

CAS

Similarity

N/A

ID: 76174

4-[(2-hydroxyethyl)amino]-3-nitrophenol

$$$$ Data

M. F.

C8H10N2O4

Suppliers	Catalog Number
Apollo Scientific	OR12655
Bide Pharmatech	BD10646

Database	Data ID
PubChem	5488102

M. W.

198.176

CAS

65235-31-6

Similarity

N/A

ID: 76175

2-(4-methoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine

$$$$ Data

M. F.

C12H7Cl6N3O

Suppliers	Catalog Number
Apollo Scientific	OR12656

Database	Data ID
PubChem	19163

M. W.

421.92148

CAS

3584-23-4

Similarity

N/A

ID: 76176

2,2-dichloroacetic acid; bis(propan-2-yl)amine

$$$$ Data

M. F.

C8H17Cl2NO2

Suppliers	Catalog Number
Apollo Scientific	OR12657
A&J Pharmtech	AJA-O2631

Database	Data ID
PubChem	12617

M. W.

230.13208

CAS

660-27-5

Similarity

N/A

ID: 76177

methyl 3-(4-methylphenyl)prop-2-enoate

$$$$ Data

M. F.

C11H12O2

Suppliers	Catalog Number
Apollo Scientific	OR12660

Database	Data ID
PubChem	5314312

M. W.

176.21178

CAS

Similarity

N/A

ID: 76178

methyl 3-[4-(1H-imidazol-1-ylmethyl)phenyl]prop-2-enoate

$$$$ Data

M. F.

C14H14N2O2

Suppliers	Catalog Number
Apollo Scientific	OR12662

Database	Data ID
PubChem	13045374

M. W.

242.27316

CAS

Similarity

N/A

ID: 76179

4-(4-methoxyphenyl)benzene-1-sulfonyl chloride

$$$$ Data More

M. F.

C13H11ClO3S

Suppliers	Catalog Number
Sigma Aldrich	737380
Maybridge	MO07016
Apollo Scientific	OR12664

Database	Data ID
PubChem	2794750

M. W.

282.74264

CAS

202752-04-3

Similarity

N/A

ID: 76180

4-(3,4-dichlorophenyl)benzene-1-sulfonyl chloride

$$$$ Data

M. F.

C12H7Cl3O2S

Suppliers	Catalog Number
Apollo Scientific	OR12667

Database	Data ID
PubChem	2794751

M. W.

321.60678

CAS

Similarity

N/A

ID: 76181

4-(4-methylphenyl)benzene-1-sulfonyl chloride

$$$$ Data More

M. F.

C13H11ClO2S

Suppliers	Catalog Number
Sigma Aldrich	737364
Alfa Aesar	H50302
Maybridge	MO07034

Database	Data ID
PubChem	2794758

M. W.

266.74324

CAS

101366-51-2

Similarity

N/A

ID: 76182

1-[2-(benzenesulfonyl)ethyl]piperazine dihydrochloride

$$$$ Data

M. F.

C12H20Cl2N2O2S

Suppliers	Catalog Number
Apollo Scientific	OR12675

Database	Data ID
PubChem	17749887

M. W.

327.2704

CAS

Similarity

N/A

ID: 76183

2-(benzenesulfonyl)ethan-1-amine hydrochloride

$$$$ Data

M. F.

C8H12ClNO2S

Suppliers	Catalog Number
Apollo Scientific	OR12676
InterBioScreen	BB_SC-5337
Enamine	EN300-42166

Database	Data ID
PubChem	13655065

M. W.

221.70438

CAS

38752-48-6

Similarity

N/A

ID: 76184

3-(benzenesulfonyl)pyrrolidine hydrochloride

$$$$ Data

M. F.

C10H14ClNO2S

Suppliers	Catalog Number
Apollo Scientific	OR12677

Database	Data ID
PubChem	44118718

M. W.

247.74166

CAS

Similarity

N/A

ID: 76185

2-bromo-1-(3-phenyl-1,2-oxazol-5-yl)ethan-1-one

$$$$ Data

M. F.

C11H8BrNO2

Suppliers	Catalog Number
Maybridge	SPB04811
Apollo Scientific	OR1268

Database	Data ID
PubChem	2735532

M. W.

266.09072

CAS

14731-14-7

Similarity

N/A

ID: 76186

(3,5-dichlorophenyl)methanesulfonyl chloride

$$$$ Data

M. F.

C7H5Cl3O2S

Suppliers	Catalog Number
Alfa Aesar	H50707
Apollo Scientific	OR12682
Enamine	EN300-104226

Database	Data ID
PubChem	4993270

M. W.

259.5374

CAS

163295-70-3

Similarity

N/A

ID: 76187

[2-amino-1-(pyridin-3-yl)ethyl]dimethylamine

$$$$ Data

M. F.

C9H15N3

Suppliers	Catalog Number
Apollo Scientific	OR12690
Enamine	EN300-100432

Database	Data ID
PubChem	3864338

M. W.

165.2355

CAS

Similarity

N/A

ID: 76188

2-phenyl-2-(pyrrolidin-2-yl)ethan-1-amine dihydrochloride

$$$$ Data

M. F.

C12H20Cl2N2

Suppliers	Catalog Number
Apollo Scientific	OR12694

Database	Data ID
PubChem	44118719

M. W.

263.2066

CAS

Similarity

N/A

ID: 76189

2-(pyridin-3-yl)-2-(pyrrolidin-1-yl)ethan-1-amine

$$$$ Data

M. F.

C11H17N3

Suppliers	Catalog Number
Apollo Scientific	OR12695
Enamine	EN300-113104

Database	Data ID
PubChem	3724753

M. W.

191.27278

CAS

Similarity

N/A

ID: 76190

2-(2-chlorophenyl)-2-(pyrrolidin-2-yl)ethan-1-amine dihydrochloride

$$$$ Data

M. F.

C12H19Cl3N2

Suppliers	Catalog Number
Apollo Scientific	OR12698

Database	Data ID
PubChem	44118721

M. W.

297.65166

CAS

Similarity

N/A

ID: 76191

2-(4-methoxyphenyl)-2-(morpholin-4-yl)ethan-1-amine dihydrochloride

$$$$ Data

M. F.

C13H22Cl2N2O2

Suppliers	Catalog Number
Apollo Scientific	OR12701

Database	Data ID
PubChem	17998875

M. W.

309.23198

CAS

Similarity

N/A

ID: 76192

2-(2-chlorophenyl)-2-(morpholin-4-yl)ethan-1-amine

$$$$ Data

M. F.

C12H17ClN2O

Suppliers	Catalog Number
Apollo Scientific	OR12703
Enamine	EN300-33561

Database	Data ID
PubChem	3847395

M. W.

240.72918

CAS

866782-01-6

Similarity

N/A

ID: 76193

tert-butyl 4-(2-amino-1-phenylethyl)piperazine-1-carboxylate

$$$$ Data

M. F.

C17H27N3O2

Suppliers	Catalog Number
Apollo Scientific	OR12704
A&J Pharmtech	AJA-O14348

Database	Data ID
PubChem	3859047

M. W.

305.41518

CAS

444892-54-0

Similarity

N/A

ID: 76194

2,2-diphenylethane-1-sulfonyl chloride

$$$$ Data

M. F.

C14H13ClO2S

Suppliers	Catalog Number
Apollo Scientific	OR12707

Database	Data ID
PubChem	3806087

M. W.

280.76982

CAS

71351-01-4

Similarity

N/A

ID: 76195

2-(2-chlorophenyl)-2-phenylethane-1-sulfonyl chloride

$$$$ Data

M. F.

C14H12Cl2O2S

Suppliers	Catalog Number
Apollo Scientific	OR12708

Database	Data ID
PubChem	3283341

M. W.

315.21488

CAS

Similarity

N/A

ID: 76196

[2-(dimethylamino)-1-phenylethyl](methyl)amine dihydrochloride

$$$$ Data

M. F.

C11H20Cl2N2

Suppliers	Catalog Number
Apollo Scientific	OR12710

Database	Data ID
PubChem	17998876

M. W.

251.1959

CAS

Similarity

N/A

ID: 76197

methyl[1-phenyl-2-(pyrrolidin-1-yl)ethyl]amine

$$$$ Data

M. F.

C13H20N2

Suppliers	Catalog Number
Apollo Scientific	OR12712

Database	Data ID
PubChem	3805138

M. W.

204.3113

CAS

136329-39-0

Similarity

N/A

ID: 76198

2-(4-methylpiperazin-1-yl)-1-phenylethan-1-amine

$$$$ Data

M. F.

C13H21N3

Suppliers	Catalog Number
Apollo Scientific	OR12715
Enamine	EN300-67187

Database	Data ID
PubChem	3367074

M. W.

219.32594

CAS

Similarity

N/A

ID: 76199

methyl[2-(4-methylpiperazin-1-yl)-1-phenylethyl]amine

$$$$ Data

M. F.

C14H23N3

Suppliers	Catalog Number
Apollo Scientific	OR12716

Database	Data ID
PubChem	3776972

M. W.

233.35252

CAS

Similarity

N/A

ID: 76200

(2-methanesulfonylethyl)(methyl)amine

$$$$ Data

M. F.

C4H11NO2S

Suppliers	Catalog Number
Apollo Scientific	OR12717
Enamine	EN300-65601

Database	Data ID
PubChem	3856040

M. W.

137.20064

CAS

202198-18-3

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