Chembase list of 866358 unique molecular structures

8-hydroxy-2-methylquinoline-7-carbaldehyde

$$$$ Data

M. F.

C11H9NO2

Suppliers	Catalog Number
Bide Pharmatech	BD161698

Database	Data ID
PubChem	15903008

M. W.

187.19466

CAS

13796-76-4

Similarity

N/A

ID: 287802

2-(6-chloropyridin-2-yl)acetic acid

$$$$ Data

M. F.

C7H6ClNO2

Suppliers	Catalog Number
Bide Pharmatech	BD161723

Database	Data ID
PubChem	17750072

M. W.

171.58104

CAS

885267-14-1

Similarity

N/A

ID: 287803

methyl 5-fluoro-6-methylpyridine-2-carboxylate

$$$$ Data

M. F.

C8H8FNO2

Suppliers	Catalog Number
Bide Pharmatech	BD161727

Database	Data ID
PubChem	52987941

M. W.

169.1530232

CAS

1245647-61-3

Similarity

N/A

ID: 287804

3-bromo-6-chloropyridin-2-amine

$$$$ Data

M. F.

C5H4BrClN2

Suppliers	Catalog Number
Bide Pharmatech	BD161729
A&J Pharmtech	AJA-O35790

Database	Data ID
PubChem	52987943

M. W.

207.45566

CAS

442127-50-6

Similarity

N/A

ID: 287805

1-bromo-4-(bromomethyl)-2-methylbenzene

$$$$ Data

M. F.

C8H8Br2

Suppliers	Catalog Number
Bide Pharmatech	BD161762

Database	Data ID
PubChem	11832265

M. W.

263.95712

CAS

27561-51-9

Similarity

N/A

ID: 287806

3-amino-4-(trifluoromethyl)benzonitrile

$$$$ Data

M. F.

C8H5F3N2

Suppliers	Catalog Number
Bide Pharmatech	BD161769

Database	Data ID
PubChem	52987954

M. W.

186.1339096

CAS

1220630-83-0

Similarity

N/A

ID: 287807

ethyl 3-iodo-1H-pyrazole-4-carboxylate

$$$$ Data

M. F.

C6H7IN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD161798
A&J Pharmtech	AJA-O7376

Database	Data ID
PubChem	45480481

M. W.

266.03645

CAS

827316-43-8

Similarity

N/A

ID: 287808

(2-methylthiophen-3-yl)boronic acid

$$$$ Data

M. F.

C5H7BO2S

Suppliers	Catalog Number
Bide Pharmatech	BD161868

Database	Data ID
PubChem	21884630

M. W.

141.98388

CAS

177735-10-3

Similarity

N/A

ID: 287809

(2,3-difluoro-4-hydroxyphenyl)boronic acid

$$$$ Data

M. F.

C6H5BF2O3

Suppliers	Catalog Number
Bide Pharmatech	BD161900

Database	Data ID
PubChem	44558115

M. W.

173.9099064

CAS

1261169-72-5

Similarity

N/A

ID: 287810

ethyl 1,3-benzothiazole-6-carboxylate

$$$$ Data

M. F.

C10H9NO2S

Suppliers	Catalog Number
Bide Pharmatech	BD161936

Database	Data ID
PubChem	10512520

M. W.

207.24896

CAS

19989-64-1

Similarity

N/A

ID: 287811

methyl isoquinoline-4-carboxylate

$$$$ Data

M. F.

C11H9NO2

Suppliers	Catalog Number
Bide Pharmatech	BD161937
A&J Pharmtech	AJA-O5815

Database	Data ID
PubChem	11830161

M. W.

187.19466

CAS

20317-40-2

Similarity

N/A

ID: 287812

5-nitro-1,3-benzothiazole-2-thiol

$$$$ Data

M. F.

C7H4N2O2S2

Suppliers	Catalog Number
Bide Pharmatech	BD161950
A&J Pharmtech	AJA-O38819

Database	Data ID
PubChem	4995376

M. W.

212.24886

CAS

58759-63-0

Similarity

N/A

ID: 287813

3-bromo-4-hydroxy-1,2-dihydropyridin-2-one

$$$$ Data

M. F.

C5H4BrNO2

Suppliers	Catalog Number
Bide Pharmatech	BD161962

Database	Data ID
PubChem	54715668

M. W.

189.99476

CAS

96245-97-5

Similarity

N/A

ID: 287814

tert-butyl 7-bromo-1,2,3,4-tetrahydroisoquinoline-2-carboxylate

$$$$ Data

M. F.

C14H18BrNO2

Suppliers	Catalog Number
Bide Pharmatech	BD161963
A&J Pharmtech	AJA-O796

Database	Data ID
PubChem	15885175

M. W.

312.20222

CAS

258515-65-0

Similarity

N/A

ID: 287815

(2R)-2-(4-chlorophenyl)-3-methylbutanoic acid

$$$$ Data

M. F.

C11H13ClO2

Suppliers	Catalog Number
Bide Pharmatech	BD161968

Database	Data ID
PubChem	854133

M. W.

212.67272

CAS

63640-09-5

Similarity

N/A

ID: 287816

2-(bromomethyl)-1,3-benzoxazole

$$$$ Data

M. F.

C8H6BrNO

Suppliers	Catalog Number
Bide Pharmatech	BD162230

Database	Data ID
PubChem	12745944

M. W.

212.04334

CAS

73101-74-3

Similarity

N/A

ID: 287817

ethyl 3-(3-methoxyphenyl)propanoate

$$$$ Data

M. F.

C12H16O3

Suppliers	Catalog Number
Bide Pharmatech	BD162245

Database	Data ID
PubChem	584318

M. W.

208.25364

CAS

7116-39-4

Similarity

N/A

ID: 287818

3-ethynylpiperidine hydrochloride

$$$$ Data

M. F.

C7H12ClN

Suppliers	Catalog Number
Bide Pharmatech	BD162267
A&J Pharmtech	AJA-O14113

Database	Data ID
PubChem	53401123

M. W.

145.62988

CAS

794533-54-3

Similarity

N/A

ID: 287819

2,5-diethyl pyrrolidine-2,5-dicarboxylate

$$$$ Data

M. F.

C10H17NO4

Suppliers	Catalog Number
Bide Pharmatech	BD162313

Database	Data ID
PubChem	13228037

M. W.

215.24628

CAS

41994-50-7

Similarity

N/A

ID: 287820

tert-butyl 4-carbamimidoylpiperidine-1-carboxylate

$$$$ Data

M. F.

C11H21N3O2

Suppliers	Catalog Number
Bide Pharmatech	BD162337
A&J Pharmtech	AJA-O13821 AJA-O32508

Database	Data ID
PubChem	44828660

M. W.

227.30334

CAS

885270-23-5

Similarity

N/A

ID: 287821

4-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine

$$$$ Data

M. F.

C8H7ClN2

Suppliers	Catalog Number
Bide Pharmatech	BD162344

Database	Data ID
PubChem	17979323

M. W.

166.60758

CAS

688782-02-7

Similarity

N/A

ID: 287822

ethyl 2-[3-bromo-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate

$$$$ Data

M. F.

C17H20BrNO3S

Suppliers	Catalog Number
Bide Pharmatech	BD162495

Database	Data ID
PubChem	10883843

M. W.

398.3146

CAS

144060-96-8

Similarity

N/A

ID: 287823

2-(propan-2-yl)-1,3,4-oxadiazole

$$$$ Data

M. F.

C5H8N2O

Suppliers	Catalog Number
Bide Pharmatech	BD162496

Database	Data ID
PubChem	10486815

M. W.

112.12982

CAS

149324-24-3

Similarity

N/A

ID: 287824

ethyl 5-(4-methoxyphenyl)-1,2,4-oxadiazole-3-carboxylate

$$$$ Data

M. F.

C12H12N2O4

Suppliers	Catalog Number
Bide Pharmatech	BD162497

Database	Data ID
PubChem	19959161

M. W.

248.23468

CAS

151098-14-5

Similarity

N/A

ID: 287825

ethyl 5-tert-butyl-1,2,4-oxadiazole-3-carboxylate

$$$$ Data

M. F.

C9H14N2O3

Suppliers	Catalog Number
Bide Pharmatech	BD162498

Database	Data ID
PubChem	15767524

M. W.

198.21906

CAS

158154-63-3

Similarity

N/A

ID: 287826

ethyl 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate

$$$$ Data

M. F.

C18H20N2O3S

Suppliers	Catalog Number
Bide Pharmatech	BD162502
A&J Pharmtech	AJA-O7814 AJA-O8686

Database	Data ID
PubChem	9884549

M. W.

344.428

CAS

160844-75-7

Similarity

N/A

ID: 287827

ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate

$$$$ Data

M. F.

C13H13NO3S

Suppliers	Catalog Number
Bide Pharmatech	BD162503

Database	Data ID
PubChem	7172170

M. W.

263.31222

CAS

161797-99-5

Similarity

N/A

ID: 287828

5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indol-2-one

$$$$ Data

M. F.

C14H18BNO3

Suppliers	Catalog Number
Bide Pharmatech	BD162348
A&J Pharmtech	AJA-O24687

Database	Data ID
PubChem	21931486

M. W.

259.10862

CAS

837392-64-0

Similarity

N/A

ID: 287829

6-bromo-1-(oxan-4-yl)-1H-1,3-benzodiazole

$$$$ Data

M. F.

C12H13BrN2O

Suppliers	Catalog Number
Bide Pharmatech	BD162428

Database	Data ID
PubChem	52988039

M. W.

281.14842

CAS

1245649-58-4

Similarity

N/A

ID: 287830

methyl 2,6-dichloro-4-methylpyridine-3-carboxylate

$$$$ Data

M. F.

C8H7Cl2NO2

Suppliers	Catalog Number
Bide Pharmatech	BD162457

Database	Data ID
PubChem	46911843

M. W.

220.05268

CAS

1013648-04-8

Similarity

N/A

ID: 287831

3-(7-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-indol-2-one

$$$$ Data

M. F.

C16H13NO4

Suppliers	Catalog Number
Bide Pharmatech	BD162463

Database	Data ID
PubChem	46941594

M. W.

283.27872

CAS

1245647-80-6

Similarity

N/A

ID: 287832

4-chloro-6-fluoro-2-methylquinazoline

$$$$ Data

M. F.

C9H6ClFN2

Suppliers	Catalog Number
Bide Pharmatech	BD162468

Database	Data ID
PubChem	24903867

M. W.

196.6087432

CAS

1044768-44-6

Similarity

N/A

ID: 287833

2-benzyl-2,7-diazaspiro[4.5]decane

$$$$ Data

M. F.

C15H22N2

Suppliers	Catalog Number
Bide Pharmatech	BD162472

Database	Data ID
PubChem	46835435

M. W.

230.34858

CAS

1086395-71-2

Similarity

N/A

ID: 287834

4-chloro-7-fluoro-2-methylquinazoline

$$$$ Data

M. F.

C9H6ClFN2

Suppliers	Catalog Number
Bide Pharmatech	BD162479

Database	Data ID
PubChem	46835432

M. W.

196.6087432

CAS

1206694-32-7

Similarity

N/A

ID: 287835

2-ethyl-1,3,4-oxadiazole

$$$$ Data

M. F.

C4H6N2O

Suppliers	Catalog Number
Bide Pharmatech	BD162489

Database	Data ID
PubChem	17244514

M. W.

98.10324

CAS

13148-61-3

Similarity

N/A

ID: 287836

2-propyl-1,3,4-oxadiazole

$$$$ Data

M. F.

C5H8N2O

Suppliers	Catalog Number
Bide Pharmatech	BD162490

Database	Data ID
PubChem	21443923

M. W.

112.12982

CAS

13148-62-4

Similarity

N/A

ID: 287837

3-N-[(3-bromophenyl)methyl]pyridine-2,3-diamine

$$$$ Data

M. F.

C12H12BrN3

Suppliers	Catalog Number
Bide Pharmatech	BD161976
A&J Pharmtech	AJA-O13665

Database	Data ID
PubChem	16114740

M. W.

278.14778

CAS

934537-52-7

Similarity

N/A

ID: 287838

3-[3-(2-carboxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoic acid

$$$$ Data

M. F.

C9H11N3O7

Suppliers	Catalog Number
Bide Pharmatech	BD162013

Database	Data ID
PubChem	223763

M. W.

273.19954

CAS

2904-40-7

Similarity

N/A

ID: 287839

2,6-dichloro-3,4-dihydroquinazolin-4-one

$$$$ Data

M. F.

C8H4Cl2N2O

Suppliers	Catalog Number
Bide Pharmatech	BD162023

Database	Data ID
PubChem	14221792

M. W.

215.03616

CAS

20197-87-9

Similarity

N/A

ID: 287840

8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexae...

$$$$ Data

M. F.

C12H9NO

Suppliers	Catalog Number
Bide Pharmatech	BD162026

Database	Data ID
PubChem	459351

M. W.

183.20596

CAS

50548-43-1

Similarity

N/A

ID: 287841

ethyl (2E)-3-oxo-2-(phenylmethylidene)butanoate

$$$$ Data

M. F.

C13H14O3

Suppliers	Catalog Number
Bide Pharmatech	BD162037

Database	Data ID
PubChem	5376216

M. W.

218.24846

CAS

620-80-4

Similarity

N/A

ID: 287842

1-(methoxymethyl)-1H-imidazole

$$$$ Data

M. F.

C5H8N2O

Suppliers	Catalog Number
Bide Pharmatech	BD162043

Database	Data ID
PubChem	88359

M. W.

112.12982

CAS

20075-26-7

Similarity

N/A

ID: 287843

1-(2-chloroethyl)-4-methylpiperazine

$$$$ Data

M. F.

C7H15ClN2

Suppliers	Catalog Number
Bide Pharmatech	BD162045

Database	Data ID
PubChem	413791

M. W.

162.6604

CAS

39123-20-1

Similarity

N/A

ID: 287844

6-(benzyloxy)pyridine-2-carboxylic acid

$$$$ Data

M. F.

C13H11NO3

Suppliers	Catalog Number
Bide Pharmatech	BD162062

Database	Data ID
PubChem	51063760

M. W.

229.23134

CAS

149744-21-8

Similarity

N/A

ID: 287845

1,3-benzothiazol-5-ol

$$$$ Data

M. F.

C7H5NOS

Suppliers	Catalog Number
Bide Pharmatech	BD162085

Database	Data ID
PubChem	3596506

M. W.

151.1857

CAS

7686-41-1

Similarity

N/A

ID: 287846

2,4,5-trichloroquinazoline

$$$$ Data

M. F.

C8H3Cl3N2

Suppliers	Catalog Number
Bide Pharmatech	BD162126

Database	Data ID
PubChem	22707069

M. W.

233.48182

CAS

134517-55-8

Similarity

N/A

ID: 287847

6-bromoquinoline-4-carboxylic acid

$$$$ Data

M. F.

C10H6BrNO2

Suppliers	Catalog Number
Bide Pharmatech	BD162129
A&J Pharmtech	AJA-O2250

Database	Data ID
PubChem	18475628

M. W.

252.06414

CAS

160233-76-1

Similarity

N/A

ID: 287848

5-fluoropyrimidin-4-amine

$$$$ Data

M. F.

C4H4FN3

Suppliers	Catalog Number
Bide Pharmatech	BD162132
A&J Pharmtech	AJA-O448

Database	Data ID
PubChem	3478696

M. W.

113.0930632

CAS

811450-26-7

Similarity

N/A

ID: 287849

(5-bromopyrimidin-2-yl)methanamine

$$$$ Data

M. F.

C5H6BrN3

Suppliers	Catalog Number
Bide Pharmatech	BD162135
A&J Pharmtech	AJA-O17481

Database	Data ID
PubChem	52987854

M. W.

188.02524

CAS

1240783-02-1

Similarity

N/A

ID: 287850

6-bromo-3,4-dihydro-1H-2-benzopyran

$$$$ Data

M. F.

C9H9BrO

Suppliers	Catalog Number
Bide Pharmatech	BD162156

Database	Data ID
PubChem	10774936

M. W.

213.07116

CAS

182949-90-2

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