Chembase list of 866358 unique molecular structures

3-[(5-bromo-1,3,4-thiadiazol-2-yl)oxy]benzonitrile

$$$$ Data

M. F.

C9H4BrN3OS

Suppliers	Catalog Number
Key Organics	AG-0066

Database	Data ID
PubChem	64625267

M. W.

282.11656

CAS

Similarity

N/A

ID: 112902

2-bromo-5-(4-methoxyphenoxy)-1,3,4-thiadiazole

$$$$ Data

M. F.

C9H7BrN2O2S

Suppliers	Catalog Number
Key Organics	AG-0067

Database	Data ID
PubChem	64625076

M. W.

287.13308

CAS

Similarity

N/A

ID: 112903

[(3-methoxy-4-methylphenyl)methyl](propyl)amine

$$$$ Data

M. F.

C12H19NO

Suppliers	Catalog Number
Key Organics	AG-0073

Database	Data ID
PubChem	43163739

M. W.

193.28536

CAS

Similarity

N/A

ID: 112904

2-bromo-5-(3-methoxyphenoxy)-1,3,4-thiadiazole

$$$$ Data

M. F.

C9H7BrN2O2S

Suppliers	Catalog Number
Key Organics	AG-0079

Database	Data ID
PubChem	64623854

M. W.

287.13308

CAS

Similarity

N/A

ID: 112905

(3-methoxy-4-methylphenyl)methanol

$$$$ Data

M. F.

C9H12O2

Suppliers	Catalog Number
Key Organics	AG-0096
Enamine	EN300-70691

Database	Data ID
PubChem	11744818

M. W.

152.19038

CAS

4685-50-1

Similarity

N/A

ID: 112906

ethyl 6-chloro-2-methylpyridine-3-carboxylate

$$$$ Data

M. F.

C9H10ClNO2

Suppliers	Catalog Number
Key Organics	AG-0209
A&J Pharmtech	AJA-O12403 AJA-O38080 AJA-O12602

Database	Data ID
PubChem	46221418

M. W.

199.6342

CAS

31163-12-9

Similarity

N/A

ID: 112907

methyl 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

$$$$ Data

M. F.

C12H12O4

Suppliers	Catalog Number
Key Organics	AG-0214

Database	Data ID
PubChem	13157010

M. W.

220.22128

CAS

22367-82-4

Similarity

N/A

ID: 112908

6-chloro-2-methylpyridine-3-carboxylic acid

$$$$ Data More

M. F.

C7H6ClNO2

Suppliers	Catalog Number
Key Organics	AG-0216
Enamine	EN300-93422
Bide Pharmatech	BD211877

Database	Data ID
PubChem	46223839

M. W.

171.58104

CAS

137129-98-7

Similarity

N/A

ID: 112909

(2Z)-3-[(4-chloro-3-nitrophenyl)carbamoyl]prop-2-enoic acid

$$$$ Data

M. F.

C10H7ClN2O5

Suppliers	Catalog Number
Key Organics	AG-0715

Database	Data ID
PubChem	2054838

M. W.

270.62598

CAS

Similarity

N/A

ID: 112910

1-(4-chloro-3-nitrophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione

$$$$ Data

M. F.

C10H5ClN2O4

Suppliers	Catalog Number
Key Organics	AG-0718
Enamine	EN300-03902

Database	Data ID
PubChem	2305077

M. W.

252.6107

CAS

Similarity

N/A

ID: 112911

ethyl 3-amino-1-methyl-6-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-2-carboxyla...

$$$$ Data

M. F.

C12H12F3N3O2

Suppliers	Catalog Number
Key Organics	AG-0721

Database	Data ID
PubChem	66545094

M. W.

287.2377896

CAS

Similarity

N/A

ID: 112912

(3R,6R)-6-[(chlorocarbonyl)oxy]-hexahydrofuro[3,2-b]furan-3-yl chloroformate

$$$$ Data

M. F.

C8H8Cl2O6

Suppliers	Catalog Number
Key Organics	AS-0019

Database	Data ID
PubChem	18526063

M. W.

271.05152

CAS

Similarity

N/A

ID: 112913

5,6-diamino-1,3-diethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione hydrochloride

$$$$ Data

M. F.

C8H15ClN4O2

Suppliers	Catalog Number
Key Organics	AS-0045

Database	Data ID
PubChem	71299790

M. W.

234.6833

CAS

52998-22-8

Similarity

N/A

ID: 112914

2-oxo-2,3-dihydro-1H-imidazole-4-carboxylic acid

$$$$ Data More

M. F.

C4H4N2O3

Suppliers	Catalog Number
Sigma Aldrich	CBR00002
ChemBridge	4004252
Key Organics	BF-0007

Database	Data ID
PubChem	1399872

M. W.

128.08616

CAS

39828-47-2

Similarity

N/A

ID: 112915

2-bromo-5-(4-nitrophenoxy)-1,3,4-thiadiazole

$$$$ Data

M. F.

C8H4BrN3O3S

Suppliers	Catalog Number
Key Organics	BG-0002

Database	Data ID
PubChem	64625078

M. W.

302.10466

CAS

Similarity

N/A

ID: 112916

(2-bromo-5-methoxy-4-methylphenyl)methanol

$$$$ Data

M. F.

C9H11BrO2

Suppliers	Catalog Number
Key Organics	BG-0004

Database	Data ID
PubChem	12243691

M. W.

231.08644

CAS

57295-33-7

Similarity

N/A

ID: 112917

2-bromo-5-(3-nitrophenoxy)-1,3,4-thiadiazole

$$$$ Data

M. F.

C8H4BrN3O3S

Suppliers	Catalog Number
Key Organics	BG-0007

Database	Data ID
PubChem	64624692

M. W.

302.10466

CAS

Similarity

N/A

ID: 112918

4-[(5-bromo-1,3,4-thiadiazol-2-yl)oxy]phenol

$$$$ Data

M. F.

C8H5BrN2O2S

Suppliers	Catalog Number
Key Organics	BG-0012

Database	Data ID
PubChem	66545107

M. W.

273.1065

CAS

Similarity

N/A

ID: 112919

2-chloro-5-nitropyridine-4-carboxylic acid

$$$$ Data

M. F.

C6H3ClN2O4

Suppliers	Catalog Number
Key Organics	BG-0014
Enamine	EN300-99079
Bide Pharmatech	BD168527

Database	Data ID
PubChem	18440622

M. W.

202.55202

CAS

907545-47-5

Similarity

N/A

ID: 112920

2-(benzylamino)-2-methylpropanenitrile

$$$$ Data

M. F.

C11H14N2

Suppliers	Catalog Number
Key Organics	BG-0016

Database	Data ID
PubChem	13437414

M. W.

174.24226

CAS

99840-51-4

Similarity

N/A

ID: 112921

2-{[(4-methoxyphenyl)methyl]amino}-2-methylpropanenitrile

$$$$ Data

M. F.

C12H16N2O

Suppliers	Catalog Number
Key Organics	BG-0021

Database	Data ID
PubChem	12426482

M. W.

204.26824

CAS

68220-83-7

Similarity

N/A

ID: 112922

4-(1,3,4-thiadiazol-2-yloxy)aniline

$$$$ Data

M. F.

C8H7N3OS

Suppliers	Catalog Number
Key Organics	BG-0029

Database	Data ID
PubChem	64157804

M. W.

193.22568

CAS

Similarity

N/A

ID: 112923

3-(1,3,4-thiadiazol-2-yloxy)aniline

$$$$ Data

M. F.

C8H7N3OS

Suppliers	Catalog Number
Key Organics	BG-0038

Database	Data ID
PubChem	64157805

M. W.

193.22568

CAS

Similarity

N/A

ID: 112924

tert-butyl 4-[(2-aminopyridin-3-yl)amino]piperidine-1-carboxylate

$$$$ Data

M. F.

C15H24N4O2

Suppliers	Catalog Number
Key Organics	BG-0046

Database	Data ID
PubChem	22293217

M. W.

292.37666

CAS

781649-86-3

Similarity

N/A

ID: 112925

2-methyl-2-[(propan-2-yl)amino]propanenitrile

$$$$ Data

M. F.

C7H14N2

Suppliers	Catalog Number
Key Organics	BG-0047
Enamine	EN300-10200

Database	Data ID
PubChem	2507863

M. W.

126.19946

CAS

16256-47-6

Similarity

N/A

ID: 112926

2-methyl-2-(propylamino)propanenitrile

$$$$ Data

M. F.

C7H14N2

Suppliers	Catalog Number
Key Organics	BG-0065

Database	Data ID
PubChem	12724400

M. W.

126.19946

CAS

23441-00-1

Similarity

N/A

ID: 112927

tert-butyl 4-{2-oxo-1H,2H,3H-imidazo[4,5-b]pyridin-1-yl}piperidine-1-carboxylate

$$$$ Data

M. F.

C16H22N4O3

Suppliers	Catalog Number
Key Organics	BG-0067

Database	Data ID
PubChem	22293220

M. W.

318.37088

CAS

781649-87-4

Similarity

N/A

ID: 112928

imidazo[1,2-a]pyridine-7-carbonitrile

$$$$ Data

M. F.

C8H5N3

Suppliers	Catalog Number
Key Organics	BG-0205

Database	Data ID
PubChem	55267408

M. W.

143.1454

CAS

952566-04-0

Similarity

N/A

ID: 112929

8-(benzyloxy)-3-iodoimidazo[1,2-a]pyridine

$$$$ Data

M. F.

C14H11IN2O

Suppliers	Catalog Number
Key Organics	BG-0703

Database	Data ID
PubChem	57355243

M. W.

350.15441

CAS

Similarity

N/A

ID: 112930

1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethan-1-one

$$$$ Data

M. F.

C11H13NO

Suppliers	Catalog Number
Key Organics	BG-0704

Database	Data ID
PubChem	4308221

M. W.

175.22702

CAS

Similarity

N/A

ID: 112931

tert-butyl 1-benzyl-1,9-diazaspiro[5.5]undecane-9-carboxylate

$$$$ Data

M. F.

C21H32N2O2

Suppliers	Catalog Number
Key Organics	BG-0705

Database	Data ID
PubChem	25216346

M. W.

344.49098

CAS

1100748-67-1

Similarity

N/A

ID: 112932

4-amino-3-methoxybenzamide

$$$$ Data

M. F.

C8H10N2O2

Suppliers	Catalog Number
Key Organics	BG-0706

Database	Data ID
PubChem	53923798

M. W.

166.1772

CAS

211374-82-2

Similarity

N/A

ID: 112933

5-amino-1-methyl-1H-pyrrole-3-carbonitrile

$$$$ Data

M. F.

C6H7N3

Suppliers	Catalog Number
Key Organics	BG-0709

Database	Data ID
PubChem	10103164

M. W.

121.13988

CAS

159831-30-8

Similarity

N/A

ID: 112934

8-(benzyloxy)-3-bromoimidazo[1,2-a]pyridine

$$$$ Data

M. F.

C14H11BrN2O

Suppliers	Catalog Number
Key Organics	BG-0711

Database	Data ID
PubChem	13680201

M. W.

303.15394

CAS

Similarity

N/A

ID: 112935

ethyl 7-amino-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

$$$$ Data More

M. F.

C10H12N4O2

Suppliers	Catalog Number
ChemBridge	7777866
Key Organics	BG-0713
InterBioScreen	BB_SC-7880

Database	Data ID
PubChem	1089239

M. W.

220.22788

CAS

2627-58-9

Similarity

N/A

ID: 112936

methyl 1-(4-aminophenyl)-5-methyl-1H-pyrazole-3-carboxylate

$$$$ Data

M. F.

C12H13N3O2

Suppliers	Catalog Number
Key Organics	BS-0022

Database	Data ID
PubChem	53396420

M. W.

231.25052

CAS

Similarity

N/A

ID: 112937

(2S)-2-[(1R,2R,6S,8R)-2,9,9-trimethyl-5-oxa-4-boratricyclo[6.1.1.0?,?]decan-4-yl...

$$$$ Data

M. F.

C15H27BClNO

Suppliers	Catalog Number
Key Organics	BS-2014

Database	Data ID
PubChem	66545102

M. W.

283.64498

CAS

149716-72-3

Similarity

N/A

ID: 112938

(1R)-2-phenyl-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0?...

$$$$ Data

M. F.

C18H27BClNO2

Suppliers	Catalog Number
Key Organics	BS-2028

Database	Data ID
PubChem	56972102

M. W.

335.67648

CAS

186906-12-7

Similarity

N/A

ID: 112939

1-(dimethylamino)-4,4-dimethylpent-1-en-3-one

$$$$ Data

M. F.

C9H17NO

Suppliers	Catalog Number
Key Organics	CF-0730
A&J Pharmtech	AJA-O6165

Database	Data ID
PubChem	53396325

M. W.

155.23738

CAS

6135-14-4

Similarity

N/A

ID: 112940

tert-butyl (2R)-2-(2-diazoacetyl)pyrrolidine-1-carboxylate

$$$$ Data

M. F.

C11H17N3O3

Suppliers	Catalog Number
Key Organics	DE-0031

Database	Data ID
PubChem	44235838

M. W.

239.27098

CAS

Similarity

N/A

ID: 112941

1-(piperidin-4-yl)-1,3-diazinan-2-one

$$$$ Data

M. F.

C9H17N3O

Suppliers	Catalog Number
Key Organics	DF-0059

Database	Data ID
PubChem	15572666

M. W.

183.25078

CAS

61220-36-8

Similarity

N/A

ID: 112942

benzyl 4-{3-[(tert-butoxy)carbonyl]-2-oxoimidazolidin-1-yl}piperidine-1-carboxyl...

$$$$ Data

M. F.

C21H29N3O5

Suppliers	Catalog Number
Key Organics	DF-0060

Database	Data ID
PubChem	66545128

M. W.

403.47206

CAS

Similarity

N/A

ID: 112943

2,4-dihydroxy-5,6,7,8-tetrahydroquinolin-5-one

$$$$ Data

M. F.

C9H9NO3

Suppliers	Catalog Number
Key Organics	DF-0729

Database	Data ID
PubChem	57581834

M. W.

179.17266

CAS

Similarity

N/A

ID: 112944

1-(piperidin-4-yl)imidazolidin-2-one

$$$$ Data

M. F.

C8H15N3O

Suppliers	Catalog Number
Key Organics	EF-0006
Life Chemicals	F2147-0902

Database	Data ID
PubChem	13031757

M. W.

169.2242

CAS

52210-86-3

Similarity

N/A

ID: 112945

tert-butyl 3-{1-[(benzyloxy)carbonyl]piperidin-4-yl}-2-oxo-1,3-diazinane-1-carbo...

$$$$ Data

M. F.

C22H31N3O5

Suppliers	Catalog Number
Key Organics	EF-0010

Database	Data ID
PubChem	66545142

M. W.

417.49864

CAS

Similarity

N/A

ID: 112946

tert-butyl 2-oxo-3-(piperidin-4-yl)imidazolidine-1-carboxylate

$$$$ Data

M. F.

C13H23N3O3

Suppliers	Catalog Number
Key Organics	EF-0037

Database	Data ID
PubChem	66545143

M. W.

269.34002

CAS

Similarity

N/A

ID: 112947

2-(hydroxyimino)-6-methoxy-2,3-dihydro-1H-inden-1-one

$$$$ Data

M. F.

C10H9NO3

Suppliers	Catalog Number
Key Organics	EF-0052

Database	Data ID
PubChem	6399829

M. W.

191.18336

CAS

24077-98-3

Similarity

N/A

ID: 112948

2-(hydroxyimino)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one

$$$$ Data

M. F.

C11H11NO4

Suppliers	Catalog Number
Key Organics	EF-0054

Database	Data ID
PubChem	6754004

M. W.

221.20934

CAS

2107-85-9

Similarity

N/A

ID: 112949

3-(trifluoromethyl)pyridine-2-carbonitrile

$$$$ Data

M. F.

C7H3F3N2

Suppliers	Catalog Number
Key Organics	EF-0235
Bide Pharmatech	BD74050
A&J Pharmtech	AJA-O35566

Database	Data ID
PubChem	22321574

M. W.

172.1073296

CAS

406933-21-9

Similarity

N/A

ID: 112950

(2-chloro-6-methoxypyridin-4-yl)methanol

$$$$ Data

M. F.

C7H8ClNO2

Suppliers	Catalog Number
Key Organics	EF-0706
A&J Pharmtech	AJA-O21595

Database	Data ID
PubChem	11457961

M. W.

173.59692

CAS

108279-89-6

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