Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C8H5NO2

Suppliers	Catalog Number
Apollo Scientific	OR61339

Database	Data ID
PubChem	20554650

M. W.

147.1308

CAS

858478-91-8

Similarity

N/A

ID: 90752

3,5-dimethylpyridine-2-carbonitrile

$$$$ Data

M. F.

C8H8N2

Suppliers	Catalog Number
Sigma Aldrich	686778
Apollo Scientific	OR61340
Enamine	EN300-129192

Database	Data ID
PubChem	8167269

M. W.

132.16252

CAS

7584-09-0

Similarity

N/A

ID: 90753

6-chloropyridazine-4-carboxylic acid

$$$$ Data

M. F.

C5H3ClN2O2

Suppliers	Catalog Number
Apollo Scientific	OR61342

Database	Data ID
PubChem	21113014

M. W.

158.54252

CAS

Similarity

N/A

ID: 90754

pyrrolidin-3-one

$$$$ Data

M. F.

C4H7NO

Suppliers	Catalog Number
Apollo Scientific	OR61343
A&J Pharmtech	AJA-O14507

Database	Data ID
PubChem	233208

M. W.

85.10448

CAS

96-42-4

Similarity

N/A

ID: 90755

ethyl (2R)-4-methylpyrrolidine-2-carboxylate

$$$$ Data

M. F.

C8H15NO2

Suppliers	Catalog Number
Apollo Scientific	OR61345

Database	Data ID
PubChem	71300081

M. W.

157.2102

CAS

Similarity

N/A

ID: 90756

1,3-dichloropropan-2-ol

$$$$ Data More

M. F.

C3H6Cl2O

Suppliers	Catalog Number
Sigma Aldrich	184489 36290 36280
MP Biomedicals	05212112
Alfa Aesar	A16003

Database	Data ID
PubChem	7289

M. W.

128.98514

CAS

96-23-1

Similarity

N/A

ID: 90757

1-methyl-4-(2-{4-[2-(4-methylphenyl)ethenyl]phenyl}ethenyl)benzene

$$$$ Data

M. F.

C24H22

Suppliers	Catalog Number
Apollo Scientific	OR61349

Database	Data ID
PubChem	6139005

M. W.

310.43148

CAS

76439-00-4

Similarity

N/A

ID: 90758

(1R,5S,6R)-3-azabicyclo[3.1.0]hexan-6-ylmethanol

$$$$ Data

M. F.

C6H11NO

Suppliers	Catalog Number
Apollo Scientific	OR61350

Database	Data ID
PubChem	15713442

M. W.

113.15764

CAS

134575-13-6

Similarity

N/A

ID: 90759

5-acetyl-8-(benzyloxy)-1,2-dihydroquinolin-2-one

$$$$ Data

M. F.

C18H15NO3

Suppliers	Catalog Number
Key Organics	DF-0726
Apollo Scientific	OR61366
TRC	A187530

Database	Data ID
PubChem	13375444

M. W.

293.3166

CAS

93609-84-8

Similarity

N/A

ID: 90760

5-acetyl-8-hydroxy-1,2-dihydroquinolin-2-one

$$$$ Data

M. F.

C11H9NO3

Suppliers	Catalog Number
Key Organics	DF-0723
Apollo Scientific	OR61367
TRC	A187660

Database	Data ID
PubChem	11983895

M. W.

203.19406

CAS

62978-73-8

Similarity

N/A

ID: 90761

5-chloro-3-cyanopyridine-2-carboxylic acid

$$$$ Data

M. F.

C7H3ClN2O2

Suppliers	Catalog Number
Key Organics	EF-0728
Apollo Scientific	OR61368

Database	Data ID
PubChem	66545158

M. W.

182.56392

CAS

Similarity

N/A

ID: 90762

6-chloro-5-hydroxypyridine-2-carbaldehyde

$$$$ Data

M. F.

C6H4ClNO2

Suppliers	Catalog Number
Key Organics	EF-0733
Apollo Scientific	OR61369

Database	Data ID
PubChem	66545164

M. W.

157.55446

CAS

Similarity

N/A

ID: 90763

5-(4-nitrophenyl)-1,3,4-oxadiazol-2-amine

$$$$ Data

M. F.

C8H6N4O3

Suppliers	Catalog Number
Sigma Aldrich	663417
Apollo Scientific	OR6138
Enamine	EN300-29549

Database	Data ID
PubChem	3738156

M. W.

206.15824

CAS

51891-79-3

Similarity

N/A

ID: 90764

2-{[(prop-2-en-1-yloxy)carbonyl]amino}acetic acid

$$$$ Data

M. F.

C6H9NO4

Suppliers	Catalog Number
Apollo Scientific	OR61384

Database	Data ID
PubChem	11964402

M. W.

159.13996

CAS

90711-56-1

Similarity

N/A

ID: 90765

1-methoxy-2-(methoxymethyl)-4-methyl-2-(2-methylpropyl)pentane

$$$$ Data

M. F.

C13H28O2

Suppliers	Catalog Number
Apollo Scientific	OR61385

Database	Data ID
PubChem	21894358

M. W.

216.36022

CAS

129228-07-5

Similarity

N/A

ID: 90766

(3aS,6R,7aS)-2,2,5',5'-tetramethyl-tetrahydro-2H-spiro[[1,3]dioxolo[4,5-c]pyran-...

$$$$ Data

M. F.

C12H18O6

Suppliers	Catalog Number
Sigma Aldrich	718653
Apollo Scientific	OR61386

Database	Data ID
PubChem	11391247

M. W.

258.26772

CAS

198965-05-8

Similarity

N/A

ID: 90767

(3R)-3-amino-2-methylbutan-2-ol

$$$$ Data

M. F.

C5H13NO

Suppliers	Catalog Number
Apollo Scientific	OR61388

Database	Data ID
PubChem	10725304

M. W.

103.16282

CAS

74608-26-7

Similarity

N/A

ID: 90768

2-chloro-6-methoxypyridine-4-carbaldehyde

$$$$ Data

M. F.

C7H6ClNO2

Suppliers	Catalog Number
Key Organics	EF-0715
Apollo Scientific	OR61392
A&J Pharmtech	AJA-O31246

Database	Data ID
PubChem	2762976

M. W.

171.58104

CAS

329794-31-2

Similarity

N/A

ID: 90769

2,5-diethyl 3-cyanopyridine-2,5-dicarboxylate

$$$$ Data

M. F.

C12H12N2O4

Suppliers	Catalog Number
Key Organics	EF-0732
Apollo Scientific	OR61393

Database	Data ID
PubChem	66545163

M. W.

248.23468

CAS

Similarity

N/A

ID: 90770

2-(4-formyl-3-methoxyphenoxy)acetic acid

$$$$ Data

M. F.

C10H10O5

Suppliers	Catalog Number
MP Biomedicals	02158184
Key Organics	6P-728
Apollo Scientific	OR61394

Database	Data ID
PubChem	3632575

M. W.

210.1834

CAS

84969-24-4

Similarity

N/A

ID: 90771

5-methanehydrazonoyl-1H-indazol-3-amine

$$$$ Data

M. F.

C8H9N5

Suppliers	Catalog Number
Key Organics	EF-0726
Apollo Scientific	OR61395

Database	Data ID
PubChem	58985452

M. W.

175.19056

CAS

Similarity

N/A

ID: 90772

methyl 2-(dimethylamino)-5-formylbenzoate

$$$$ Data

M. F.

C11H13NO3

Suppliers	Catalog Number
Key Organics	EF-0716
Apollo Scientific	OR61396

Database	Data ID
PubChem	11333236

M. W.

207.22582

CAS

Similarity

N/A

ID: 90773

tert-butyl 4-[5-(methoxycarbonyl)pyridin-2-yl]piperazine-1-carboxylate

$$$$ Data

M. F.

C16H23N3O4

Suppliers	Catalog Number
Key Organics	BC-0823
Apollo Scientific	OR61397

Database	Data ID
PubChem	66545101

M. W.

321.37152

CAS

Similarity

N/A

ID: 90774

(3S)-1-azabicyclo[2.2.2]octan-3-amine dihydrochloride

$$$$ Data

M. F.

C7H16Cl2N2

Suppliers	Catalog Number
Sigma Aldrich	415723
Apollo Scientific	OR6142

Database	Data ID
PubChem	12494973

M. W.

199.12134

CAS

123536-14-1

Similarity

N/A

ID: 90775

3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-amine

$$$$ Data

M. F.

C10H10ClN3

Suppliers	Catalog Number
Maybridge	KM04038
Apollo Scientific	OR6143
A&J Pharmtech	AJA-O38941

Database	Data ID
PubChem	2735304

M. W.

207.6595

CAS

126417-82-1

Similarity

N/A

ID: 90776

4-(5-bromothiophen-2-yl)pyrimidine-2-thiol

$$$$ Data

M. F.

C8H5BrN2S2

Suppliers	Catalog Number
Apollo Scientific	OR6146

Database	Data ID
PubChem	1478083

M. W.

273.1727

CAS

Similarity

N/A

ID: 90777

5-methoxy-2,1,3-benzoxadiazole

$$$$ Data

M. F.

C7H6N2O2

Suppliers	Catalog Number
Sigma Aldrich	656925
Apollo Scientific	OR6148

Database	Data ID
PubChem	138228

M. W.

150.13474

CAS

4413-48-3

Similarity

N/A

ID: 90778

(3R)-1-azabicyclo[2.2.2]octan-3-amine dihydrochloride

$$$$ Data

M. F.

C7H16Cl2N2

Suppliers	Catalog Number
Apollo Scientific	OR6149

Database	Data ID
PubChem	12494972

M. W.

199.12134

CAS

119904-90-4

Similarity

N/A

ID: 90779

prop-2-en-1-yl N-[(2S,3S,4R,5R)-2,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4R,5R...

$$$$ Data

M. F.

C16H27NO12

Suppliers	Catalog Number
Apollo Scientific	OR6150T

Database	Data ID
PubChem	71299566

M. W.

425.38508

CAS

Similarity

N/A

ID: 90780

3-amino-2H-chromen-2-one

$$$$ Data More

M. F.

C9H7NO2

Suppliers	Catalog Number
Sigma Aldrich	411183
Alfa Aesar	L14031
Apollo Scientific	OR6156

Database	Data ID
PubChem	74217

M. W.

161.15738

CAS

1635-31-0

Similarity

N/A

ID: 90781

9H-purine-2,6-diamine

$$$$ Data More

M. F.

C5H6N6

Suppliers	Catalog Number
Sigma Aldrich	247847
Alfa Aesar	A15649
Apollo Scientific	OR6157

Database	Data ID
Wikipedia	2,6-Diaminopurine
PubChem	30976

M. W.

150.14134

CAS

1904-98-9

Similarity

N/A

ID: 90782

heptan-4-amine

$$$$ Data

M. F.

C7H17N

Suppliers	Catalog Number
MP Biomedicals	05201494
Apollo Scientific	OR6158

Database	Data ID
PubChem	38665

M. W.

115.21658

CAS

16751-59-0

Similarity

N/A

ID: 90783

4-(1H-pyrazol-4-yl)benzaldehyde

$$$$ Data

M. F.

C10H8N2O

Suppliers	Catalog Number
Apollo Scientific	OR6159

Database	Data ID
PubChem	26967168

M. W.

172.18332

CAS

Similarity

N/A

ID: 90784

3-(1H-pyrazol-4-yl)benzaldehyde

$$$$ Data

M. F.

C10H8N2O

Suppliers	Catalog Number
Apollo Scientific	OR6160

Database	Data ID
PubChem	26967170

M. W.

172.18332

CAS

Similarity

N/A

ID: 90785

4-(pyrimidin-2-yl)benzaldehyde

$$$$ Data

M. F.

C11H8N2O

Suppliers	Catalog Number
Maybridge	CC56204
Apollo Scientific	OR6161

Database	Data ID
PubChem	12703722

M. W.

184.19402

CAS

77232-38-3

Similarity

N/A

ID: 90786

4-(4-cyclohexylphenyl)-4-oxobut-2-enoic acid

$$$$ Data

M. F.

C16H18O3

Suppliers	Catalog Number
Apollo Scientific	OR6162

Database	Data ID
PubChem	5702795

M. W.

258.31232

CAS

Similarity

N/A

ID: 90787

ethyl 2-sulfanyl-1H-imidazole-4-carboxylate

$$$$ Data

M. F.

C6H8N2O2S

Suppliers	Catalog Number
Maybridge	KM06163
Apollo Scientific	OR6163

Database	Data ID
PubChem	2736338

M. W.

172.20492

CAS

64038-64-8

Similarity

N/A

ID: 90788

3-(pyrimidin-2-yl)benzaldehyde

$$$$ Data

M. F.

C11H8N2O

Suppliers	Catalog Number
Maybridge	CC56304
Apollo Scientific	OR6164
A&J Pharmtech	AJA-O3537

Database	Data ID
PubChem	22630818

M. W.

184.19402

CAS

263349-22-0

Similarity

N/A

ID: 90789

4-(1H-imidazol-4-yl)benzaldehyde

$$$$ Data

M. F.

C10H8N2O

Suppliers	Catalog Number
Apollo Scientific	OR6165

Database	Data ID
PubChem	18548597

M. W.

172.18332

CAS

Similarity

N/A

ID: 90790

3-(1H-imidazol-4-yl)benzaldehyde

$$$$ Data

M. F.

C10H8N2O

Suppliers	Catalog Number
Apollo Scientific	OR6166

Database	Data ID
PubChem	10511388

M. W.

172.18332

CAS

Similarity

N/A

ID: 90791

2,3-dichloro-4-hydroxybenzaldehyde

$$$$ Data

M. F.

C7H4Cl2O2

Suppliers	Catalog Number
Apollo Scientific	OR6167

Database	Data ID
PubChem	528380

M. W.

191.01146

CAS

16861-22-6

Similarity

N/A

ID: 90792

2-(cyanosulfanyl)-1-(2-hydroxyphenyl)ethan-1-one

$$$$ Data

M. F.

C9H7NO2S

Suppliers	Catalog Number
Apollo Scientific	OR6169

Database	Data ID
PubChem	26967175

M. W.

193.22238

CAS

Similarity

N/A

ID: 90793

tert-butyl N-(3-formylpyridin-4-yl)carbamate

$$$$ Data More

M. F.

C11H14N2O3

Suppliers	Catalog Number
Apollo Scientific	OR6173
Enamine	EN300-67782
Bide Pharmatech	BD17655

Database	Data ID
PubChem	819566

M. W.

222.24046

CAS

116026-93-8

Similarity

N/A

ID: 90794

tert-butyl N-(4-formylpyridin-3-yl)carbamate

$$$$ Data

M. F.

C11H14N2O3

Suppliers	Catalog Number
Apollo Scientific	OR6174
A&J Pharmtech	AJA-O13669

Database	Data ID
PubChem	14177126

M. W.

222.24046

CAS

116026-95-0

Similarity

N/A

ID: 90795

4-phenoxyfuran-2-carbaldehyde

$$$$ Data

M. F.

C11H8O3

Suppliers	Catalog Number
Apollo Scientific	OR6180

Database	Data ID
PubChem	26967178

M. W.

188.17942

CAS

Similarity

N/A

ID: 90796

benzyl 2-formylpyrrolidine-1-carboxylate

$$$$ Data

M. F.

C13H15NO3

Suppliers	Catalog Number
Apollo Scientific	OR6182

Database	Data ID
PubChem	11064320

M. W.

233.2631

CAS

105706-84-1

Similarity

N/A

ID: 90797

tert-butyl (2R)-4,4-diethoxy-2-formylpiperidine-1-carboxylate

$$$$ Data

M. F.

C15H27NO5

Suppliers	Catalog Number
Apollo Scientific	OR6185

Database	Data ID
PubChem	26967183

M. W.

301.37858

CAS

Similarity

N/A

ID: 90798

tert-butyl (2S)-4,4-diethoxy-2-formylpiperidine-1-carboxylate

$$$$ Data

M. F.

C15H27NO5

Suppliers	Catalog Number
Apollo Scientific	OR6186

Database	Data ID
PubChem	26967180

M. W.

301.37858

CAS

Similarity

N/A

ID: 90799

5H,6H,7H,8H,9H-imidazo[1,2-a]azepine-3-carbaldehyde

$$$$ Data

M. F.

C9H12N2O

Suppliers	Catalog Number
Apollo Scientific	OR6187

Database	Data ID
PubChem	26967189

M. W.

164.20438

CAS

Similarity

N/A

ID: 90800

5H,6H,7H-pyrrolo[1,2-a]imidazole-3-carbaldehyde

$$$$ Data

M. F.

C7H8N2O

Suppliers	Catalog Number
Apollo Scientific	OR6188

Database	Data ID
PubChem	15313503

M. W.

136.15122

CAS

914637-04-0

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