Chembase list of 866358 unique molecular structures

[1-(adamantan-1-yl)ethyl](2H-1,3-benzodioxol-5-ylmethyl)amine hydrochloride

$$$$ Data

M. F.

C20H28ClNO2

Suppliers	Catalog Number
Matrix Scientific	033103

Database	Data ID
PubChem	17368060

M. W.

349.89482

CAS

Similarity

N/A

ID: 30452

2-(1H-1,3-benzodiazol-1-yl)propanoic acid hydrochloride

$$$$ Data

M. F.

C10H11ClN2O2

Suppliers	Catalog Number
Matrix Scientific	033104
Enamine	EN300-114446

Database	Data ID
PubChem	18560661

M. W.

226.65954

CAS

Similarity

N/A

ID: 30453

2-chloro-N-(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)acetamide hydrochloride

$$$$ Data

M. F.

C5H6Cl2N2O2S

Suppliers	Catalog Number
Matrix Scientific	033105

Database	Data ID
PubChem	46736406

M. W.

229.08434

CAS

Similarity

N/A

ID: 30454

3-{[(2-methylphenyl)methyl]sulfanyl}-1,2,4-thiadiazol-5-amine

$$$$ Data

M. F.

C10H11N3S2

Suppliers	Catalog Number
Matrix Scientific	033106

Database	Data ID
PubChem	1088127

M. W.

237.34444

CAS

Similarity

N/A

ID: 30455

(2H-1,3-benzodioxol-5-ylmethyl)[2-(4-fluorophenyl)ethyl]amine

$$$$ Data

M. F.

C16H16FNO2

Suppliers	Catalog Number
Matrix Scientific	033107

Database	Data ID
PubChem	1615490

M. W.

273.3021432

CAS

Similarity

N/A

ID: 30456

3-(furan-2-yl)-4-phenylbutanoic acid

$$$$ Data

M. F.

C14H14O3

Suppliers	Catalog Number
ChemBridge	6731717
Matrix Scientific	033108
InterBioScreen	BB_NC-0424

Database	Data ID
PubChem	2912255

M. W.

230.25916

CAS

92190-42-6

Similarity

N/A

ID: 30457

3-(furan-2-yl)-3-(2-methoxyphenyl)propanoic acid

$$$$ Data

M. F.

C14H14O4

Suppliers	Catalog Number
Matrix Scientific	033109
InterBioScreen	BB_NC-0391

Database	Data ID
PubChem	2921720

M. W.

246.25856

CAS

Similarity

N/A

ID: 30458

3-(4-fluorophenyl)-3-(furan-2-yl)propanoic acid

$$$$ Data

M. F.

C13H11FO3

Suppliers	Catalog Number
Matrix Scientific	033110
InterBioScreen	BB_SC-0185

Database	Data ID
PubChem	2771876

M. W.

234.2230432

CAS

Similarity

N/A

ID: 30459

2,3-dihydro-1,4-benzodioxin-6-yl(furan-2-yl)methanamine hydrochloride

$$$$ Data

M. F.

C13H14ClNO3

Suppliers	Catalog Number
Matrix Scientific	033111

Database	Data ID
PubChem	46736407

M. W.

267.70816

CAS

Similarity

N/A

ID: 30460

2-(4-sulfamoylphenyl)acetic acid

$$$$ Data

M. F.

C8H9NO4S

Suppliers	Catalog Number
Matrix Scientific	033112
Enamine	EN300-68572

Database	Data ID
PubChem	6483854

M. W.

215.22636

CAS

Similarity

N/A

ID: 30461

2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetic acid

$$$$ Data More

M. F.

C5H5NO4S

Suppliers	Catalog Number
Sigma Aldrich	CBR00200
ChemBridge	4004601
Matrix Scientific	033113

Database	Data ID
PubChem	645030

M. W.

175.1625

CAS

875-97-8

Similarity

N/A

ID: 30462

6-chloro-2,3,4,9-tetrahydro-1H-carbazole-7-carboxylic acid

$$$$ Data

M. F.

C13H12ClNO2

Suppliers	Catalog Number
Matrix Scientific	033114

Database	Data ID
PubChem	1088982

M. W.

249.69288

CAS

Similarity

N/A

ID: 30463

5-(2-phenylethyl)-1H-1,2,4-triazol-3-amine

$$$$ Data

M. F.

C10H12N4

Suppliers	Catalog Number
ChemBridge	4015724
Matrix Scientific	033115

Database	Data ID
PubChem	1089053

M. W.

188.22908

CAS

76955-91-4

Similarity

N/A

ID: 30464

2-(4-hydroxyphenyl)quinoline-4-carboxylic acid

$$$$ Data

M. F.

C16H11NO3

Suppliers	Catalog Number
ChemBridge	5349475
Matrix Scientific	033116
Enamine	EN300-11142

Database	Data ID
PubChem	5356587

M. W.

265.26344

CAS

6952-34-7

Similarity

N/A

ID: 30465

N-(3-aminopropyl)furan-2-carboxamide hydrochloride

$$$$ Data

M. F.

C8H13ClN2O2

Suppliers	Catalog Number
Matrix Scientific	033117

Database	Data ID
PubChem	46736408

M. W.

204.65402

CAS

Similarity

N/A

ID: 30466

N-{2-[(2-hydroxyethyl)amino]ethyl}furan-2-carboxamide hydrochloride

$$$$ Data

M. F.

C9H15ClN2O3

Suppliers	Catalog Number
Matrix Scientific	033118

Database	Data ID
PubChem	46736409

M. W.

234.68

CAS

Similarity

N/A

ID: 30467

1H-indole-3-carbaldehyde

$$$$ Data More

M. F.

C9H7NO

Suppliers	Catalog Number
Sigma Aldrich	129445 57210
MP Biomedicals	05201624
Alfa Aesar	A15330

Database	Data ID
PubChem	10256

M. W.

145.15798

CAS

487-89-8

Similarity

N/A

ID: 30468

1,2,5-trimethyl-1H-indole-3-carbaldehyde

$$$$ Data

M. F.

C12H13NO

Suppliers	Catalog Number
Matrix Scientific	033120
Enamine	EN300-121807

Database	Data ID
PubChem	4777693

M. W.

187.23772

CAS

Similarity

N/A

ID: 30469

1-ethyl-2,5-dimethyl-1H-indole-3-carbaldehyde

$$$$ Data

M. F.

C13H15NO

Suppliers	Catalog Number
Matrix Scientific	033121

Database	Data ID
PubChem	6487524

M. W.

201.2643

CAS

Similarity

N/A

ID: 30470

2-(5-amino-1,3,4-thiadiazol-2-yl)-N-(4-methoxyphenyl)acetamide

$$$$ Data

M. F.

C11H12N4O2S

Suppliers	Catalog Number
Matrix Scientific	033122

Database	Data ID
PubChem	6487525

M. W.

264.30358

CAS

Similarity

N/A

ID: 30471

3-(2-methylpropyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0^{1,5}]dec-8-ene-6-carboxyl...

$$$$ Data

M. F.

C13H17NO4

Suppliers	Catalog Number
Matrix Scientific	033124

Database	Data ID
PubChem	2772033

M. W.

251.27838

CAS

436855-63-9

Similarity

N/A

ID: 30472

1-amino-3-(propan-2-yloxy)propan-2-ol

$$$$ Data

M. F.

C6H15NO2

Suppliers	Catalog Number
Matrix Scientific	033125
InterBioScreen	BB_SC-0679

Database	Data ID
PubChem	662350

M. W.

133.1888

CAS

3141-83-1

Similarity

N/A

ID: 30473

1-[3-(3-methylphenoxy)propyl]piperazine

$$$$ Data

M. F.

C14H22N2O

Suppliers	Catalog Number
Matrix Scientific	033127

Database	Data ID
PubChem	6483858

M. W.

234.33728

CAS

Similarity

N/A

ID: 30474

4-(carboxymethyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid

$$$$ Data

M. F.

C9H7NO4S

Suppliers	Catalog Number
Matrix Scientific	033128

Database	Data ID
PubChem	3228402

M. W.

225.22118

CAS

Similarity

N/A

ID: 30475

3-(5-amino-1-methyl-1H-1,3-benzodiazol-2-yl)propanoic acid dihydrochloride

$$$$ Data

M. F.

C11H15Cl2N3O2

Suppliers	Catalog Number
Matrix Scientific	033130

Database	Data ID
PubChem	46736410

M. W.

292.1617

CAS

Similarity

N/A

ID: 30476

2,3-dihydroxy-3-(5-methyl-1H-1,3-benzodiazol-2-yl)propanoic acid

$$$$ Data

M. F.

C11H12N2O4

Suppliers	Catalog Number
Matrix Scientific	033131

Database	Data ID
PubChem	4697746

M. W.

236.22398

CAS

Similarity

N/A

ID: 30477

2,7-dioxo-1,3-diazepane-4-carboxylic acid

$$$$ Data

M. F.

C6H8N2O4

Suppliers	Catalog Number
ChemBridge	9071961
Matrix Scientific	033132

Database	Data ID
PubChem	6487594

M. W.

172.13872

CAS

Similarity

N/A

ID: 30478

3-(5-methylfuran-2-yl)aniline

$$$$ Data

M. F.

C11H11NO

Suppliers	Catalog Number
Matrix Scientific	033133
Apollo Scientific	OR8126

Database	Data ID
PubChem	793234

M. W.

173.21114

CAS

Similarity

N/A

ID: 30479

2,4-dimethylpyrimidine-5-carboxylic acid

$$$$ Data More

M. F.

C7H8N2O2

Suppliers	Catalog Number
ChemBridge	4019260
Matrix Scientific	033134
Enamine	EN300-93409

Database	Data ID
PubChem	6487595

M. W.

152.15062

CAS

74356-36-8

Similarity

N/A

ID: 30480

2-[methyl(1-methylpiperidin-4-yl)amino]acetic acid

$$$$ Data

M. F.

C9H18N2O2

Suppliers	Catalog Number
Matrix Scientific	033135

Database	Data ID
PubChem	6483861

M. W.

186.25142

CAS

Similarity

N/A

ID: 30481

2-(5-chloro-2-methyl-1H-indol-3-yl)acetic acid

$$$$ Data

M. F.

C11H10ClNO2

Suppliers	Catalog Number
Matrix Scientific	033136
Life Chemicals	F2113-0488

Database	Data ID
PubChem	2068157

M. W.

223.6556

CAS

19017-52-8

Similarity

N/A

ID: 30482

2-[4-(diphenylmethyl)piperazin-1-yl]acetic acid

$$$$ Data

M. F.

C19H22N2O2

Suppliers	Catalog Number
Matrix Scientific	033137

Database	Data ID
PubChem	4741586

M. W.

310.39018

CAS

Similarity

N/A

ID: 30483

2-[4-(4-methoxyphenyl)piperazin-1-yl]acetic acid

$$$$ Data

M. F.

C13H18N2O3

Suppliers	Catalog Number
Matrix Scientific	033138
InterBioScreen	BB_SC-8724

Database	Data ID
PubChem	3164603

M. W.

250.29362

CAS

Similarity

N/A

ID: 30484

1-ethyl-2-methyl-1H-indole-3-carbaldehyde

$$$$ Data

M. F.

C12H13NO

Suppliers	Catalog Number
Matrix Scientific	033139

Database	Data ID
PubChem	956584

M. W.

187.23772

CAS

66727-64-8

Similarity

N/A

ID: 30485

[(4-fluorophenyl)methyl](furan-2-ylmethyl)amine hydrochloride

$$$$ Data

M. F.

C12H13ClFNO

Suppliers	Catalog Number
Matrix Scientific	033140

Database	Data ID
PubChem	17331098

M. W.

241.6891232

CAS

Similarity

N/A

ID: 30486

[(3-fluorophenyl)methyl](furan-2-ylmethyl)amine hydrobromide

$$$$ Data

M. F.

C12H13BrFNO

Suppliers	Catalog Number
Matrix Scientific	033141

Database	Data ID
PubChem	46736411

M. W.

286.1401232

CAS

Similarity

N/A

ID: 30487

[(3-methoxyphenyl)methyl](oxolan-2-ylmethyl)amine hydrobromide

$$$$ Data

M. F.

C13H20BrNO2

Suppliers	Catalog Number
Matrix Scientific	033142

Database	Data ID
PubChem	24746776

M. W.

302.2074

CAS

Similarity

N/A

ID: 30488

[(2-chlorophenyl)methyl](oxolan-2-ylmethyl)amine hydrobromide

$$$$ Data

M. F.

C12H17BrClNO

Suppliers	Catalog Number
Matrix Scientific	033143

Database	Data ID
PubChem	24746786

M. W.

306.62648

CAS

Similarity

N/A

ID: 30489

[(4-chlorophenyl)methyl](oxolan-2-ylmethyl)amine hydrobromide

$$$$ Data

M. F.

C12H17BrClNO

Suppliers	Catalog Number
Matrix Scientific	033144

Database	Data ID
PubChem	24746853

M. W.

306.62648

CAS

Similarity

N/A

ID: 30490

[(2-fluorophenyl)methyl](oxolan-2-ylmethyl)amine hydrobromide

$$$$ Data

M. F.

C12H17BrFNO

Suppliers	Catalog Number
Matrix Scientific	033145

Database	Data ID
PubChem	24746787

M. W.

290.1718832

CAS

Similarity

N/A

ID: 30491

[(4-fluorophenyl)methyl](oxolan-2-ylmethyl)amine hydrobromide

$$$$ Data

M. F.

C12H17BrFNO

Suppliers	Catalog Number
Matrix Scientific	033146

Database	Data ID
PubChem	24746785

M. W.

290.1718832

CAS

Similarity

N/A

ID: 30492

(oxolan-2-ylmethyl)(pyridin-3-ylmethyl)amine hydrobromide

$$$$ Data

M. F.

C11H17BrN2O

Suppliers	Catalog Number
Matrix Scientific	033147

Database	Data ID
PubChem	46736412

M. W.

273.16948

CAS

Similarity

N/A

ID: 30493

[(3-fluorophenyl)methyl](oxolan-2-ylmethyl)amine hydrobromide

$$$$ Data

M. F.

C12H17BrFNO

Suppliers	Catalog Number
Matrix Scientific	033148

Database	Data ID
PubChem	24746777

M. W.

290.1718832

CAS

Similarity

N/A

ID: 30494

ethyl 5-amino-1,2-oxazole-4-carboxylate

$$$$ Data More

M. F.

C6H8N2O3

Suppliers	Catalog Number
ChemBridge	4027417
Matrix Scientific	033150
Life Chemicals	F2124-0437

Database	Data ID
PubChem	1502094

M. W.

156.13932

CAS

34859-64-8

Similarity

N/A

ID: 30495

1-(2-bromoethoxy)-4-methoxybenzene

$$$$ Data More

M. F.

C9H11BrO2

Suppliers	Catalog Number
Matrix Scientific	033151
Key Organics	10G-971
InterBioScreen	BB_SC-8040

Database	Data ID
PubChem	579814

M. W.

231.08644

CAS

22921-76-2

Similarity

N/A

ID: 30496

4-(4-fluorophenyl)aniline

$$$$ Data More

M. F.

C12H10FN

Suppliers	Catalog Number
MP Biomedicals	05209370
Matrix Scientific	033152
Bide Pharmatech	BD13750

Database	Data ID
PubChem	9462

M. W.

187.2129032

CAS

324-93-6

Similarity

N/A

ID: 30497

1-amino-3-(diethylamino)propan-2-ol

$$$$ Data

M. F.

C7H18N2O

Suppliers	Catalog Number
Matrix Scientific	033153
Life Chemicals	F2137-0019
Enamine	EN300-66884

Database	Data ID
PubChem	97749

M. W.

146.23062

CAS

6322-01-6

Similarity

N/A

ID: 30498

5-chloro-1,3-dimethyl-1H-pyrazole-4-sulfonyl chloride

$$$$ Data More

M. F.

C5H6Cl2N2O2S

Suppliers	Catalog Number
Matrix Scientific	033154
Maybridge	CD10088
Apollo Scientific	OR23902

Database	Data ID
PubChem	2777126

M. W.

229.08434

CAS

88398-93-0

Similarity

N/A

ID: 30499

6-methoxynaphthalene-2-carbaldehyde

$$$$ Data More

M. F.

C12H10O2

Suppliers	Catalog Number
Sigma Aldrich	533084
Alfa Aesar	B23943
Matrix Scientific	033155

Database	Data ID
PubChem	76991

M. W.

186.2066

CAS

3453-33-6

Similarity

N/A

ID: 30500

1-(2-bromoethoxy)-4-methylbenzene

$$$$ Data

M. F.

C9H11BrO

Suppliers	Catalog Number
Matrix Scientific	033156
Enamine	EN300-04672

Database	Data ID
PubChem	95667

M. W.

215.08704

CAS

18800-34-5

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