Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C6H10OS

Suppliers	Catalog Number
Apollo Scientific	OR10847

Database	Data ID
PubChem	161032

M. W.

130.208

CAS

Similarity

N/A

ID: 75052

1,14-dibromotetradecane

$$$$ Data

M. F.

C14H28Br2

Suppliers	Catalog Number
Apollo Scientific	OR10848

Database	Data ID
PubChem	169955

M. W.

356.18012

CAS

37688-96-3

Similarity

N/A

ID: 75053

[(2,2-dichlorocyclopropyl)sulfanyl]benzene

$$$$ Data

M. F.

C9H8Cl2S

Suppliers	Catalog Number
Apollo Scientific	OR10850

Database	Data ID
PubChem	2733183

M. W.

219.13082

CAS

63289-85-0

Similarity

N/A

ID: 75054

3,4-bis(decyloxy)benzaldehyde

$$$$ Data

M. F.

C27H46O3

Suppliers	Catalog Number
Apollo Scientific	OR10851

Database	Data ID
PubChem	2724929

M. W.

418.65234

CAS

118468-34-1

Similarity

N/A

ID: 75055

3,4-bis(dodecyloxy)benzaldehyde

$$$$ Data

M. F.

C31H54O3

Suppliers	Catalog Number
Apollo Scientific	OR10852

Database	Data ID
PubChem	2724931

M. W.

474.75866

CAS

117241-25-5

Similarity

N/A

ID: 75056

1,3-diethyl 2-hydroxypropanedioate

$$$$ Data

M. F.

C7H12O5

Suppliers	Catalog Number
Apollo Scientific	OR10853

Database	Data ID
PubChem	139648

M. W.

176.16718

CAS

13937-08-1

Similarity

N/A

ID: 75057

1-(2,4-dihydroxy-3-methylphenyl)propan-1-one

$$$$ Data

M. F.

C10H12O3

Suppliers	Catalog Number
Apollo Scientific	OR10854

Database	Data ID
PubChem	592157

M. W.

180.20048

CAS

63876-46-0

Similarity

N/A

ID: 75058

5-nitropyrimidine-4,6-diol

$$$$ Data More

M. F.

C4H3N3O4

Suppliers	Catalog Number
Sigma Aldrich	126233
MP Biomedicals	05210043
Alfa Aesar	B21312

Database	Data ID
PubChem	75105

M. W.

157.08432

CAS

2164-83-2

Similarity

N/A

ID: 75059

2-methyl-N,N-bis(propan-2-yl)propanamide

$$$$ Data

M. F.

C10H21NO

Suppliers	Catalog Number
Apollo Scientific	OR10856

Database	Data ID
PubChem	221978

M. W.

171.27984

CAS

6282-98-0

Similarity

N/A

ID: 75060

2-methoxy-1,3-dimethylbenzene

$$$$ Data More

M. F.

C9H12O

Suppliers	Catalog Number
Sigma Aldrich	D146404
MP Biomedicals	05208374
Alfa Aesar	B20365

Database	Data ID
PubChem	66088

M. W.

136.19098

CAS

1004-66-6

Similarity

N/A

ID: 75061

2-(4-hydroxyphenyl)-N,N-dimethylacetamide

$$$$ Data

M. F.

C10H13NO2

Suppliers	Catalog Number
Apollo Scientific	OR10858

Database	Data ID
PubChem	2773858

M. W.

179.21572

CAS

76472-23-6

Similarity

N/A

ID: 75062

tert-butyl (4R)-4-formyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

$$$$ Data More

M. F.

C11H19NO4

Suppliers	Catalog Number
Sigma Aldrich	462063
Apollo Scientific	OR10859
Bide Pharmatech	BD35511

Database	Data ID
PubChem	178792

M. W.

229.27286

CAS

95715-87-0

Similarity

N/A

ID: 75063

3-tert-butyl 4-methyl (4S)-2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate

$$$$ Data More

M. F.

C12H21NO5

Suppliers	Catalog Number
Sigma Aldrich	410438
Apollo Scientific	OR5403 OR10860
Bide Pharmatech	BD30107

Database	Data ID
PubChem	688221

M. W.

259.29884

CAS

108149-60-6

Similarity

N/A

ID: 75064

2,2-dimethyl-5-(oxolan-2-ylidene)-1,3-dioxane-4,6-dione

$$$$ Data

M. F.

C10H12O5

Suppliers	Catalog Number
Apollo Scientific	OR10861

Database	Data ID
PubChem	2773861

M. W.

212.19928

CAS

145122-43-6

Similarity

N/A

ID: 75065

2,2-dimethyl-5-(pyrrolidin-2-ylidene)-1,3-dioxane-4,6-dione

$$$$ Data

M. F.

C10H13NO4

Suppliers	Catalog Number
Apollo Scientific	OR10862

Database	Data ID
PubChem	708537

M. W.

211.21452

CAS

70912-52-6

Similarity

N/A

ID: 75066

3-[(dimethylcarbamoyl)amino]benzoic acid

$$$$ Data

M. F.

C10H12N2O3

Suppliers	Catalog Number
Apollo Scientific	OR10863
Enamine	EN300-83230

Database	Data ID
PubChem	2773863

M. W.

208.21388

CAS

Similarity

N/A

ID: 75067

2-{3-[(dimethylcarbamoyl)amino]phenyl}acetic acid

$$$$ Data

M. F.

C11H14N2O3

Suppliers	Catalog Number
Apollo Scientific	OR10865

Database	Data ID
PubChem	2773867

M. W.

222.24046

CAS

Similarity

N/A

ID: 75068

3,4-bis(octyloxy)benzaldehyde

$$$$ Data

M. F.

C23H38O3

Suppliers	Catalog Number
Apollo Scientific	OR10866

Database	Data ID
PubChem	2724919

M. W.

362.54602

CAS

131525-50-3

Similarity

N/A

ID: 75069

2-(1-oxidopyridin-1-ium-2-yl)pyridin-1-ium-1-olate

$$$$ Data

M. F.

C10H8N2O2

Suppliers	Catalog Number
Sigma Aldrich	364177
Apollo Scientific	OR10867

Database	Data ID
PubChem	5360248

M. W.

188.18272

CAS

7275-43-6

Similarity

N/A

ID: 75070

3,6-dioxabicyclo[3.1.0]hexane

$$$$ Data More

M. F.

C4H6O2

Suppliers	Catalog Number
Maybridge	AC42553
Apollo Scientific	OR10868
Enamine	EN300-39211

Database	Data ID
PubChem	67511

M. W.

86.08924

CAS

285-69-8

Similarity

N/A

ID: 75071

(pentan-2-ylsulfanyl)carbonitrile

$$$$ Data

M. F.

C6H11NS

Suppliers	Catalog Number
Apollo Scientific	OR1087

Database	Data ID
PubChem	2761394

M. W.

129.22324

CAS

Similarity

N/A

ID: 75072

4-[2-(4-ethoxyphenyl)diazen-1-yl]benzene-1,3-diamine hydrochloride

$$$$ Data

M. F.

C14H17ClN4O

Suppliers	Catalog Number
MP Biomedicals	05209689
Apollo Scientific	OR10870

Database	Data ID
PubChem	16836

M. W.

292.76398

CAS

2313-87-3

Similarity

N/A

ID: 75073

ethyl 2-(4-aminophenyl)acetate

$$$$ Data

M. F.

C10H13NO2

Suppliers	Catalog Number
Alfa Aesar	A11529
Apollo Scientific	OR10871
Bide Pharmatech	BD12156

Database	Data ID
PubChem	225219

M. W.

179.21572

CAS

5438-70-0

Similarity

N/A

ID: 75074

4-ethoxy-2-methylidene-4-oxobutanoic acid

$$$$ Data

M. F.

C7H10O4

Suppliers	Catalog Number
Apollo Scientific	OR10872

Database	Data ID
PubChem	533740

M. W.

158.1519

CAS

57718-07-7

Similarity

N/A

ID: 75075

2-(9H-fluoren-9-yl)acetic acid

$$$$ Data

M. F.

C15H12O2

Suppliers	Catalog Number
Sigma Aldrich	328898
Alfa Aesar	A18772
Apollo Scientific	OR10874

Database	Data ID
PubChem	94852

M. W.

224.25458

CAS

6284-80-6

Similarity

N/A

ID: 75076

tetracyclo[15.4.0.0^{3,8}.0^{10,15}]henicosa-1(17),3,5,7,10,12,14,18,20-nonaene-...

$$$$ Data

M. F.

C21H18O6

Suppliers	Catalog Number
Apollo Scientific	OR10878

Database	Data ID
PubChem	2724971

M. W.

366.36402

CAS

1506-76-9

Similarity

N/A

ID: 75077

3,6-bis(2-hydroxyethyl)piperazine-2,5-dione

$$$$ Data

M. F.

C8H14N2O4

Suppliers	Catalog Number
Apollo Scientific	OR10879

Database	Data ID
PubChem	239961

M. W.

202.20776

CAS

50975-79-6

Similarity

N/A

ID: 75078

2-(ethylsulfanyl)ethan-1-ol

$$$$ Data

M. F.

C4H10OS

Suppliers	Catalog Number
Alfa Aesar	L05040
Apollo Scientific	OR10880

Database	Data ID
PubChem	8075

M. W.

106.1866

CAS

110-77-0

Similarity

N/A

ID: 75079

N-[2-(1H-indol-3-yl)ethylidene]hydroxylamine

$$$$ Data

M. F.

C10H10N2O

Suppliers	Catalog Number
Apollo Scientific	OR10881

Database	Data ID
PubChem	5371769

M. W.

174.1992

CAS

Similarity

N/A

ID: 75080

(2,4-diaminopteridin-6-yl)methanol hydrobromide

$$$$ Data

M. F.

C7H9BrN6O

Suppliers	Catalog Number
Apollo Scientific	OR10882
TRC	P840100

Database	Data ID
PubChem	2773879

M. W.

273.08996

CAS

57963-59-4

Similarity

N/A

ID: 75081

3-hydroxy-4-methyl-2,3-dihydro-1,3-thiazole-2-thione

$$$$ Data

M. F.

C4H5NOS2

Suppliers	Catalog Number
Sigma Aldrich	363197 55873
Apollo Scientific	OR10884

Database	Data ID
PubChem	341593

M. W.

147.2186

CAS

49762-08-5

Similarity

N/A

ID: 75082

2,3-dihydro-1H-indene-2-carboxylic acid

$$$$ Data

M. F.

C10H10O2

Suppliers	Catalog Number
Sigma Aldrich	595551
Apollo Scientific	OR10885

Database	Data ID
PubChem	575777

M. W.

162.1852

CAS

25177-85-9

Similarity

N/A

ID: 75083

3-(2-methylpropoxy)cyclohex-2-en-1-one

$$$$ Data

M. F.

C10H16O2

Suppliers	Catalog Number
Apollo Scientific	OR10886
Enamine	EN300-86304

Database	Data ID
PubChem	89991

M. W.

168.23284

CAS

23074-59-1

Similarity

N/A

ID: 75084

2,2-diphenoxyacetic acid

$$$$ Data

M. F.

C14H12O4

Suppliers	Catalog Number
Apollo Scientific	OR10888

Database	Data ID
PubChem	12893

M. W.

244.24268

CAS

Similarity

N/A

ID: 75085

(2,2-diphenoxyethyl)(methyl)amine

$$$$ Data

M. F.

C15H17NO2

Suppliers	Catalog Number
Apollo Scientific	OR10889

Database	Data ID
PubChem	2773881

M. W.

243.30098

CAS

Similarity

N/A

ID: 75086

[2-(dimethyl-oxo-$l^{5}-azanyl)-1-phenoxyethoxy]benzene

$$$$ Data

M. F.

C16H19NO3

Suppliers	Catalog Number
Apollo Scientific	OR10890

Database	Data ID
PubChem	2773883

M. W.

273.32696

CAS

Similarity

N/A

ID: 75087

3-methanesulfonamidobenzoic acid

$$$$ Data

M. F.

C8H9NO4S

Suppliers	Catalog Number
Apollo Scientific	OR10891
InterBioScreen	BB_SC-8565
Enamine	EN300-05441

Database	Data ID
PubChem	225772

M. W.

215.22636

CAS

28547-13-9

Similarity

N/A

ID: 75088

2-(3-methanesulfonamidophenyl)acetic acid

$$$$ Data

M. F.

C9H11NO4S

Suppliers	Catalog Number
Apollo Scientific	OR10893
Enamine	EN300-71258

Database	Data ID
PubChem	2773885

M. W.

229.25294

CAS

407640-21-5

Similarity

N/A

ID: 75089

4-bromophenyl methanesulfonate

$$$$ Data

M. F.

C7H7BrO3S

Suppliers	Catalog Number
Apollo Scientific	OR10895

Database	Data ID
PubChem	2773889

M. W.

251.09768

CAS

Similarity

N/A

ID: 75090

3-[4-(methanesulfonyloxy)phenyl]propanoic acid

$$$$ Data

M. F.

C10H12O5S

Suppliers	Catalog Number
Apollo Scientific	OR10896

Database	Data ID
PubChem	2773890

M. W.

244.26428

CAS

Similarity

N/A

ID: 75091

bis(propan-2-yl)amine

$$$$ Data More

M. F.

C6H15N

Suppliers	Catalog Number
Sigma Aldrich	D3022 110019 527947 (more...)
MP Biomedicals	02157754 05202034
Alfa Aesar	A10280

Database	Data ID
Wikipedia	Diisopropylamine
PubChem	7912

M. W.

101.19

CAS

108-18-9

Similarity

N/A

ID: 75092

2-(2,4-dichlorophenyl)acetonitrile

$$$$ Data More

M. F.

C8H5Cl2N

Suppliers	Catalog Number
Sigma Aldrich	178462 35518
Alfa Aesar	A12873
Apollo Scientific	OR10901

Database	Data ID
PubChem	80566

M. W.

186.038

CAS

6306-60-1

Similarity

N/A

ID: 75093

3,4-dichlorobenzonitrile

$$$$ Data More

M. F.

C7H3Cl2N

Suppliers	Catalog Number
Sigma Aldrich	532177 08309
Alfa Aesar	A12338
Maybridge	BTB06163

Database	Data ID
PubChem	81051

M. W.

172.01142

CAS

6574-99-8

Similarity

N/A

ID: 75094

sodium 3-chlorobenzoate

$$$$ Data

M. F.

C7H4ClNaO2

Suppliers	Catalog Number
Apollo Scientific	OR10911X

Database	Data ID
PubChem	23663901

M. W.

178.54823

CAS

17264-88-9

Similarity

N/A

ID: 75095

2-methylbenzene-1,4-diol

$$$$ Data More

M. F.

C7H8O2

Suppliers	Catalog Number
Sigma Aldrich	112968 240974 89600
MP Biomedicals	05207026
Alfa Aesar	B21241

Database	Data ID
PubChem	7253

M. W.

124.13722

CAS

95-71-6

Similarity

N/A

ID: 75096

1,4,7,10-tetraoxacyclododecane

$$$$ Data More

M. F.

C8H16O4

Suppliers	Catalog Number
Sigma Aldrich	194905 28122
Alfa Aesar	A11972
Apollo Scientific	OR10917

Database	Data ID
Wikipedia	12-Crown-4
PubChem	9269

M. W.

176.21024

CAS

294-93-9

Similarity

N/A

ID: 75097

1,4,7,10,13-pentaoxacyclopentadecane

$$$$ Data More

M. F.

C10H20O5

Suppliers	Catalog Number
Sigma Aldrich	188832 28123 15328
MP Biomedicals	02150730
Alfa Aesar	A12265

Database	Data ID
Wikipedia	15-Crown-5
PubChem	36336

M. W.

220.2628

CAS

33100-27-5

Similarity

N/A

ID: 75098

1,4,7,10,13,16-hexaoxacyclooctadecane

$$$$ Data More

M. F.

C12H24O6

Suppliers	Catalog Number
Sigma Aldrich	C5515 186651 274984 (more...)
MP Biomedicals	02150731
Alfa Aesar	A11249

Database	Data ID
Wikipedia	18-Crown-6
PubChem	28557

M. W.

264.31536

CAS

17455-13-9

Similarity

N/A

ID: 75099

4-bromo-2-ethyl-1-iodobenzene

$$$$ Data

M. F.

C8H8BrI

Suppliers	Catalog Number
Alfa Aesar	B20052
Apollo Scientific	OR1092

Database	Data ID
PubChem	2761396

M. W.

310.95759

CAS

175278-30-5

Similarity

N/A

ID: 75100

2,3,5,6,8,9-hexahydro-1,4,7,10-benzotetraoxacyclododecine

$$$$ Data

M. F.

C12H16O4

Suppliers	Catalog Number
Apollo Scientific	OR10920
InterBioScreen	BB_SC-5378

Database	Data ID
PubChem	586075

M. W.

224.25304

CAS

14174-08-4

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