Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C9H7IN2O2

Suppliers	Catalog Number
Apollo Scientific	OR60119
A&J Pharmtech	AJA-O23742

Database	Data ID
PubChem	24728203

M. W.

302.06855

CAS

885521-54-0

Similarity

N/A

ID: 90452

6-amino-4-methylpyridine-3-carbonitrile

$$$$ Data

M. F.

C7H7N3

Suppliers	Catalog Number
Apollo Scientific	OR60121
Bide Pharmatech	BD70428

Database	Data ID
PubChem	9964103

M. W.

133.15058

CAS

179555-10-3

Similarity

N/A

ID: 90453

hex-4-enoic acid

$$$$ Data

M. F.

C6H10O2

Suppliers	Catalog Number
Alfa Aesar	L02724
Apollo Scientific	OR60122

Database	Data ID
PubChem	638127

M. W.

114.1424

CAS

35194-36-6

Similarity

N/A

ID: 90454

methyl({[4-(pyrrolidin-1-ylmethyl)phenyl]methyl})amine

$$$$ Data

M. F.

C13H20N2

Suppliers	Catalog Number
Maybridge	CC55646
Apollo Scientific	OR60123

Database	Data ID
PubChem	18525869

M. W.

204.3113

CAS

884507-40-8

Similarity

N/A

ID: 90455

methyl benzoate

$$$$ Data More

M. F.

C8H8O2

Suppliers	Catalog Number
Sigma Aldrich	M29908 W268305 W268313 (more...)
Alfa Aesar	A12404
Apollo Scientific	OR60124

Database	Data ID
Wikipedia	Methyl_benzoate
PubChem	7150

M. W.

136.14792

CAS

93-58-3

Similarity

N/A

ID: 90456

4-(3-nitrophenyl)pyrimidin-2-amine

$$$$ Data

M. F.

C10H8N4O2

Suppliers	Catalog Number
Apollo Scientific	OR60125

Database	Data ID
PubChem	2735382

M. W.

216.19612

CAS

Similarity

N/A

ID: 90457

(5-chloropyridin-2-yl)methanamine dihydrochloride

$$$$ Data

M. F.

C6H9Cl3N2

Suppliers	Catalog Number
Apollo Scientific	OR60126

Database	Data ID
PubChem	51342012

M. W.

215.50806

CAS

Similarity

N/A

ID: 90458

1-phenylbutan-1-one

$$$$ Data More

M. F.

C10H12O

Suppliers	Catalog Number
Sigma Aldrich	124338 W504904 20770
MP Biomedicals	05220746 05211676
Alfa Aesar	A11345

Database	Data ID
Wikipedia	Butyrophenone
PubChem	10315

M. W.

148.20168

CAS

495-40-9

Similarity

N/A

ID: 90459

(2R)-2-(butoxymethyl)oxirane

$$$$ Data

M. F.

C7H14O2

Suppliers	Catalog Number
Apollo Scientific	OR60128

Database	Data ID
PubChem	6560427

M. W.

130.18486

CAS

Similarity

N/A

ID: 90460

1-hydroxynaphthalene-2-carboxylic acid

$$$$ Data More

M. F.

C11H8O3

Suppliers	Catalog Number
Sigma Aldrich	109630 55910
MP Biomedicals	02157475 05222776
Alfa Aesar	A12785

Database	Data ID
PubChem	6844

M. W.

188.17942

CAS

86-48-6

Similarity

N/A

ID: 90461

5-hexyloxolan-2-one

$$$$ Data More

M. F.

C10H18O2

Suppliers	Catalog Number
Sigma Aldrich	W236004 D804 30621
MP Biomedicals	05213908
Alfa Aesar	A19732

Database	Data ID
PubChem	12813

M. W.

170.24872

CAS

706-14-9

Similarity

N/A

ID: 90462

1-(4-bromophenyl)cyclopropane-1-carbonitrile

$$$$ Data

M. F.

C10H8BrN

Suppliers	Catalog Number
Apollo Scientific	OR60130
Chemik	CHB55203
A&J Pharmtech	AJA-O13235

Database	Data ID
PubChem	2795273

M. W.

222.08122

CAS

124276-67-1

Similarity

N/A

ID: 90463

5-chloro-2-methoxyphenol

$$$$ Data

M. F.

C7H7ClO2

Suppliers	Catalog Number
Apollo Scientific	OR60133

Database	Data ID
PubChem	588774

M. W.

158.58228

CAS

3743-23-5

Similarity

N/A

ID: 90464

4-methylpyridine-2-carboxamide

$$$$ Data

M. F.

C7H8N2O

Suppliers	Catalog Number
Apollo Scientific	OR60135

Database	Data ID
PubChem	11499224

M. W.

136.15122

CAS

54089-04-2

Similarity

N/A

ID: 90465

3-tert-butylbenzene-1-sulfonyl chloride

$$$$ Data

M. F.

C10H13ClO2S

Suppliers	Catalog Number
Apollo Scientific	OR60136
A&J Pharmtech	AJA-O166

Database	Data ID
PubChem	2757247

M. W.

232.72702

CAS

2905-26-2

Similarity

N/A

ID: 90466

ethyl 1,3,5-trimethyl-1H-pyrazole-4-carboxylate

$$$$ Data

M. F.

C9H14N2O2

Suppliers	Catalog Number
Apollo Scientific	OR60138
A&J Pharmtech	AJA-O39227

Database	Data ID
PubChem	4421459

M. W.

182.21966

CAS

56079-16-4

Similarity

N/A

ID: 90467

6-methoxy-2-methylpyridine-3-carboxylic acid

$$$$ Data

M. F.

C8H9NO3

Suppliers	Catalog Number
Apollo Scientific	OR60139

Database	Data ID
PubChem	53395577

M. W.

167.16196

CAS

Similarity

N/A

ID: 90468

6-pentyloxan-2-one

$$$$ Data More

M. F.

C10H18O2

Suppliers	Catalog Number
Sigma Aldrich	W236128 W236101 298069 (more...)
MP Biomedicals	05226255
Alfa Aesar	A11756

Database	Data ID
PubChem	12810

M. W.

170.24872

CAS

705-86-2

Similarity

N/A

ID: 90469

(5-bromo-4-methylpyridin-2-yl)methanamine hydrochloride

$$$$ Data

M. F.

C7H10BrClN2

Suppliers	Catalog Number
Apollo Scientific	OR60141

Database	Data ID
PubChem	53395578

M. W.

237.5247

CAS

Similarity

N/A

ID: 90470

(3-bromo-5-methylpyridin-2-yl)methanamine hydrochloride

$$$$ Data

M. F.

C7H10BrClN2

Suppliers	Catalog Number
Apollo Scientific	OR60142

Database	Data ID
PubChem	53395580

M. W.

237.5247

CAS

Similarity

N/A

ID: 90471

5-chloro-3-methylpyridine-2-carbonitrile

$$$$ Data

M. F.

C7H5ClN2

Suppliers	Catalog Number
Apollo Scientific	OR60143
Bide Pharmatech	BD221293
A&J Pharmtech	AJA-O17588

Database	Data ID
PubChem	21864563

M. W.

152.581

CAS

156072-84-3

Similarity

N/A

ID: 90472

3-bromo-5-methylpyridine-2-carbonitrile

$$$$ Data

M. F.

C7H5BrN2

Suppliers	Catalog Number
Apollo Scientific	OR60144
Bide Pharmatech	BD223453

Database	Data ID
PubChem	22591218

M. W.

197.032

CAS

474824-78-7

Similarity

N/A

ID: 90473

3-bromo-5-methylpyridine-2-carboxylic acid

$$$$ Data

M. F.

C7H6BrNO2

Suppliers	Catalog Number
Apollo Scientific	OR60145
Bide Pharmatech	BD223454
A&J Pharmtech	AJA-O3395

Database	Data ID
PubChem	53395582

M. W.

216.03204

CAS

1211515-68-2

Similarity

N/A

ID: 90474

3,5-dimethylpyridine-4-carboxylic acid

$$$$ Data

M. F.

C8H9NO2

Suppliers	Catalog Number
Apollo Scientific	OR60146
Enamine	EN300-108460

Database	Data ID
PubChem	44558093

M. W.

151.16256

CAS

544703-96-0

Similarity

N/A

ID: 90475

3,5-dimethylpyridine-4-carbonitrile

$$$$ Data

M. F.

C8H8N2

Suppliers	Catalog Number
Apollo Scientific	OR60147

Database	Data ID
PubChem	18177723

M. W.

132.16252

CAS

7584-08-9

Similarity

N/A

ID: 90476

4-ethyl-1H-pyrazol-3-amine

$$$$ Data More

M. F.

C5H9N3

Suppliers	Catalog Number
Apollo Scientific	OR60148
Enamine	EN300-82345
Bide Pharmatech	BD20815

Database	Data ID
PubChem	11789157

M. W.

111.14506

CAS

43024-15-3

Similarity

N/A

ID: 90477

4-hydroxycyclohexan-1-one

$$$$ Data More

M. F.

C6H10O2

Suppliers	Catalog Number
ChemBridge	4029093
Apollo Scientific	OR60149
Bide Pharmatech	BD97913

Database	Data ID
PubChem	543706

M. W.

114.1424

CAS

13482-22-9

Similarity

N/A

ID: 90478

decanal

$$$$ Data More

M. F.

C10H20O

Suppliers	Catalog Number
Sigma Aldrich	D7384 W236209 125776 (more...)
MP Biomedicals	05210258 02150785
Alfa Aesar	A11656

Database	Data ID
Wikipedia	Decanal
PubChem	8175

M. W.

156.2652

CAS

112-31-2

Similarity

N/A

ID: 90479

6-chloro-4-methylpyridine-3-carboxylic acid

$$$$ Data

M. F.

C7H6ClNO2

Suppliers	Catalog Number
Apollo Scientific	OR60150
A&J Pharmtech	AJA-O36724

Database	Data ID
PubChem	22291747

M. W.

171.58104

CAS

503555-50-8

Similarity

N/A

ID: 90480

(6-chloro-4-methylpyridin-3-yl)methanamine hydrochloride

$$$$ Data

M. F.

C7H10Cl2N2

Suppliers	Catalog Number
Apollo Scientific	OR60151

Database	Data ID
PubChem	53395583

M. W.

193.0737

CAS

Similarity

N/A

ID: 90481

(5-chloro-3-methylpyridin-2-yl)methanamine hydrochloride

$$$$ Data

M. F.

C7H10Cl2N2

Suppliers	Catalog Number
Apollo Scientific	OR60152

Database	Data ID
PubChem	53395585

M. W.

193.0737

CAS

Similarity

N/A

ID: 90482

6-methoxy-2-methylpyridine-3-carbonitrile

$$$$ Data

M. F.

C8H8N2O

Suppliers	Catalog Number
Apollo Scientific	OR60153

Database	Data ID
PubChem	13749918

M. W.

148.16192

CAS

Similarity

N/A

ID: 90483

5-chloro-2-methoxypyridine-3-carbonitrile

$$$$ Data

M. F.

C7H5ClN2O

Suppliers	Catalog Number
Apollo Scientific	OR60154

Database	Data ID
PubChem	53395587

M. W.

168.5804

CAS

Similarity

N/A

ID: 90484

methyl 6-chloro-3-methylpyridine-2-carboxylate

$$$$ Data

M. F.

C8H8ClNO2

Suppliers	Catalog Number
Apollo Scientific	OR60156
Bide Pharmatech	BD161585

Database	Data ID
PubChem	45489870

M. W.

185.60762

CAS

878207-92-2

Similarity

N/A

ID: 90485

tert-butyl 5-bromo-4-methyl-1H-indazole-1-carboxylate

$$$$ Data

M. F.

C13H15BrN2O2

Suppliers	Catalog Number
Apollo Scientific	OR60157

Database	Data ID
PubChem	53395588

M. W.

311.1744

CAS

Similarity

N/A

ID: 90486

4-(bromomethyl)piperidine hydrobromide

$$$$ Data

M. F.

C6H13Br2N

Suppliers	Catalog Number
Apollo Scientific	OR60158

Database	Data ID
PubChem	13503217

M. W.

258.98212

CAS

65920-56-1

Similarity

N/A

ID: 90487

dec-4-enal

$$$$ Data More

M. F.

C10H18O

Suppliers	Catalog Number
Sigma Aldrich	367338
MP Biomedicals	05213839 05213848
Alfa Aesar	L05715

Database	Data ID
PubChem	5702654

M. W.

154.24932

CAS

65405-70-1

Similarity

N/A

ID: 90488

6-(aminomethyl)pyridin-2-ol hydrochloride

$$$$ Data

M. F.

C6H9ClN2O

Suppliers	Catalog Number
Apollo Scientific	OR60161

Database	Data ID
PubChem	21243522

M. W.

160.60146

CAS

131052-62-5

Similarity

N/A

ID: 90489

9-phenylanthracene

$$$$ Data More

M. F.

C20H14

Suppliers	Catalog Number
Sigma Aldrich	P18004 45799
MP Biomedicals	05212134
Apollo Scientific	OR60162

Database	Data ID
PubChem	11766

M. W.

254.32516

CAS

602-55-1

Similarity

N/A

ID: 90490

9-bromo-10-phenylanthracene

$$$$ Data

M. F.

C20H13Br

Suppliers	Catalog Number
Apollo Scientific	OR60163
A&J Pharmtech	AJA-O11725 AJA-O12065

Database	Data ID
PubChem	4155836

M. W.

333.22122

CAS

23674-20-6

Similarity

N/A

ID: 90491

2-(3-methyl-1,2-oxazol-5-yl)acetic acid

$$$$ Data

M. F.

C6H7NO3

Suppliers	Catalog Number
Sigma Aldrich	489689
Apollo Scientific	OR60165

Database	Data ID
PubChem	4195532

M. W.

141.12468

CAS

19668-85-0

Similarity

N/A

ID: 90492

bis(3,5-di-tert-butyl-4-hydroxybenzaldehyde) hydrate

$$$$ Data

M. F.

C30H46O5

Suppliers	Catalog Number
Sigma Aldrich	140406
Apollo Scientific	OR60167

Database	Data ID
PubChem	45357804

M. W.

486.68324

CAS

207226-32-2

Similarity

N/A

ID: 90493

ethyl 2-methyl-1,3-oxazole-4-carboxylate

$$$$ Data

M. F.

C7H9NO3

Suppliers	Catalog Number
Apollo Scientific	OR60168
A&J Pharmtech	AJA-O12118 AJA-O12789

Database	Data ID
PubChem	10402496

M. W.

155.15126

CAS

10200-43-8

Similarity

N/A

ID: 90494

5-nitro-2-propyl-1,3-benzoxazole

$$$$ Data

M. F.

C10H10N2O3

Suppliers	Catalog Number
Apollo Scientific	OR60172

Database	Data ID
PubChem	5260634

M. W.

206.198

CAS

Similarity

N/A

ID: 90495

4-(4-tert-butyl-1,3-thiazol-2-yl)piperidine

$$$$ Data

M. F.

C12H20N2S

Suppliers	Catalog Number
Apollo Scientific	OR60174

Database	Data ID
PubChem	13747808

M. W.

224.3656

CAS

Similarity

N/A

ID: 90496

2-ethyl-4-methyl-1,3-dioxolane

$$$$ Data

M. F.

C6H12O2

Suppliers	Catalog Number
Alfa Aesar	H32187 H31933
Apollo Scientific	OR60175

Database	Data ID
PubChem	92210

M. W.

116.15828

CAS

4359-46-0

Similarity

N/A

ID: 90497

1-(oxan-4-yl)ethan-1-one

$$$$ Data More

M. F.

C7H12O2

Suppliers	Catalog Number
Apollo Scientific	OR60176
Enamine	EN300-84148
Bide Pharmatech	BD165385

Database	Data ID
PubChem	9877365

M. W.

128.16898

CAS

137052-08-5

Similarity

N/A

ID: 90498

piperazine-1-carboximidamide

$$$$ Data

M. F.

C5H12N4

Suppliers	Catalog Number
Apollo Scientific	OR60177
A&J Pharmtech	AJA-O14405

Database	Data ID
PubChem	2760424

M. W.

128.17558

CAS

45695-84-9

Similarity

N/A

ID: 90499

5,6-diamino-1,2,3,4-tetrahydropyrimidine-2,4-dione; sulfuric acid

$$$$ Data

M. F.

C4H8N4O6S

Suppliers	Catalog Number
Sigma Aldrich	D15103 33420
Apollo Scientific	OR60179
TRC	D416790

Database	Data ID
PubChem	319643

M. W.

240.19452

CAS

32014-70-3

Similarity

N/A

ID: 90500

dec-9-en-1-ol

$$$$ Data More

M. F.

C10H20O

Suppliers	Catalog Number
Sigma Aldrich	118354 316652
MP Biomedicals	05223467
Alfa Aesar	A19490

Database	Data ID
PubChem	25612

M. W.

156.2652

CAS

13019-22-2

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