Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C7H12

Suppliers	Catalog Number
Sigma Aldrich	126551
MP Biomedicals	05213753
Alfa Aesar	H35300

Database	Data ID
PubChem	66080

M. W.

96.17018

CAS

1000-86-8

Similarity

N/A

ID: 110102

N,N-dimethylnaphthalen-1-amine

$$$$ Data More

M. F.

C12H13N

Suppliers	Catalog Number
Sigma Aldrich	218995 40860 D4011
MP Biomedicals	05213755
Alfa Aesar	36438

Database	Data ID
Wikipedia	N,N-Dimethyl-1-naphthylamine
PubChem	6848

M. W.

171.23832

CAS

86-56-6

Similarity

N/A

ID: 110103

disodium 2',4',5',7'-tetraiodo-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-3',6'-...

$$$$ Data

M. F.

C20H6I4Na2O5

Suppliers	Catalog Number
Sigma Aldrich	E8886 87613 198269
MP Biomedicals	05222065 05213757
Bide Pharmatech	BD127490

Database	Data ID
PubChem	12961638

M. W.

879.85606

CAS

16423-68-0

Similarity

N/A

ID: 110104

N-methyl-N,4-dinitrosoaniline

$$$$ Data

M. F.

C7H7N3O2

Suppliers	Catalog Number
MP Biomedicals	05213762

Database	Data ID
PubChem	60991

M. W.

165.14938

CAS

99-80-9

Similarity

N/A

ID: 110105

dipotassium bis(quinolin-8-ol) sulfate

$$$$ Data

M. F.

C18H14K2N2O6S

Suppliers	Catalog Number
MP Biomedicals	05213769

Database	Data ID
PubChem	25021784

M. W.

464.57516

CAS

Similarity

N/A

ID: 110106

sodium 3-hydroxy-4-[2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diaze...

$$$$ Data

M. F.

C20H15N4NaO5S

Suppliers	Catalog Number
MP Biomedicals	05213770
A&J Pharmtech	AJA-O10494

Database	Data ID
PubChem	23664731

M. W.

446.41167

CAS

3618-63-1

Similarity

N/A

ID: 110107

(2S)-2-amino-1-{[(benzyloxy)carbonyl]oxy}-2-[(benzyloxy)methyl]ethan-1-one

$$$$ Data

M. F.

C18H19NO5

Suppliers	Catalog Number
MP Biomedicals	05213771

Database	Data ID
PubChem	22802854

M. W.

329.34716

CAS

Similarity

N/A

ID: 110108

4-(2-phenylethenyl)phenol

$$$$ Data

M. F.

C14H12O

Suppliers	Catalog Number
MP Biomedicals	05213773

Database	Data ID
PubChem	5284650

M. W.

196.24448

CAS

6554-98-9

Similarity

N/A

ID: 110109

N-phenyl-N-[2-(N-phenylacetamido)ethyl]acetamide

$$$$ Data

M. F.

C18H20N2O2

Suppliers	Catalog Number
MP Biomedicals	05213778

Database	Data ID
PubChem	1733533

M. W.

296.3636

CAS

Similarity

N/A

ID: 110110

3,6-dimethylheptan-3-ol

$$$$ Data

M. F.

C9H20O

Suppliers	Catalog Number
MP Biomedicals	05213779
Alfa Aesar	B20285

Database	Data ID
PubChem	15297

M. W.

144.2545

CAS

1573-28-0

Similarity

N/A

ID: 110111

cadmium

$$$$ Data

M. F.

Suppliers	Catalog Number
Sigma Aldrich	265381 265330 466263 (more...)
MP Biomedicals	05213782
Alfa Aesar	11909 11910 43116 (more...)

Database	Data ID
PubChem	23973

M. W.

112.411

CAS

10325-94-7

Similarity

N/A

ID: 110112

cadmium(2+) ion dibromide

$$$$ Data

M. F.

Br2Cd

Suppliers	Catalog Number
MP Biomedicals	05213785
Alfa Aesar	32960 35682

Database	Data ID
PubChem	9816930

M. W.

272.219

CAS

7789-42-6

Similarity

N/A

ID: 110113

cadmium(2+) ion dioxochromiumbis(olate)

$$$$ Data

M. F.

CdCrO4

Suppliers	Catalog Number
MP Biomedicals	05213786

Database	Data ID
PubChem	20065476

M. W.

228.4047

CAS

Similarity

N/A

ID: 110114

propan-2-yl octadeca-9,12,15-trienoate

$$$$ Data

M. F.

C21H36O2

Suppliers	Catalog Number
MP Biomedicals	05213788

Database	Data ID
PubChem	5743782

M. W.

320.50934

CAS

Similarity

N/A

ID: 110115

propan-2-ylcyclohexane

$$$$ Data

M. F.

C9H18

Suppliers	Catalog Number
Sigma Aldrich	I21904 59400
MP Biomedicals	05213789

Database	Data ID
PubChem	12763

M. W.

126.23922

CAS

696-29-7

Similarity

N/A

ID: 110116

4-(propan-2-yl)cyclohexan-1-ol

$$$$ Data

M. F.

C9H18O

Suppliers	Catalog Number
MP Biomedicals	05213790

Database	Data ID
PubChem	20739

M. W.

142.23862

CAS

4621-04-9

Similarity

N/A

ID: 110117

(1S,2R,3R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butane-1,2,3,4-tetrol

$$$$ Data

M. F.

C9H18O6

Suppliers	Catalog Number
MP Biomedicals	05213794

Database	Data ID
PubChem	25147448

M. W.

222.23562

CAS

Similarity

N/A

ID: 110118

1,3-dimethyl 2-bromopropanedioate

$$$$ Data

M. F.

C5H7BrO4

Suppliers	Catalog Number
Sigma Aldrich	359890 17510
MP Biomedicals	05213805

Database	Data ID
PubChem	70087

M. W.

211.01068

CAS

868-26-8

Similarity

N/A

ID: 110119

butyl 2-phenylacetate

$$$$ Data

M. F.

C12H16O2

Suppliers	Catalog Number
Sigma Aldrich	W220906
MP Biomedicals	05213827
Bide Pharmatech	BD119164

Database	Data ID
PubChem	31210

M. W.

192.25424

CAS

122-43-0

Similarity

N/A

ID: 110120

deca-2,4-dienal

$$$$ Data More

M. F.

C10H16O

Suppliers	Catalog Number
Sigma Aldrich	180513 W313505
MP Biomedicals	05213828
Alfa Aesar	L06103

Database	Data ID
Wikipedia	(E,E)-2,4-Decadienal
PubChem	5283349

M. W.

152.23344

CAS

25152-84-5

Similarity

N/A

ID: 110121

calcium bis(2-hydroxy-2-phenylacetate)

$$$$ Data

M. F.

C16H14CaO6

Suppliers	Catalog Number
MP Biomedicals	05213829

Database	Data ID
PubChem	8654

M. W.

342.35676

CAS

134-95-2

Similarity

N/A

ID: 110122

deca-2,4-dien-1-ol

$$$$ Data

M. F.

C10H18O

Suppliers	Catalog Number
MP Biomedicals	05213830
Alfa Aesar	A15989

Database	Data ID
PubChem	5362696

M. W.

154.24932

CAS

18409-21-7

Similarity

N/A

ID: 110123

(2E)-dec-2-enal

$$$$ Data More

M. F.

C10H18O

Suppliers	Catalog Number
Sigma Aldrich	W236608 30658
MP Biomedicals	05213838 05213846
Alfa Aesar	L05901

Database	Data ID
PubChem	5283345

M. W.

154.24932

CAS

3913-81-3

Similarity

N/A

ID: 110124

{[(4-chlorophenyl)methyl]sulfanyl}methanimidamide hydrobromide

$$$$ Data

M. F.

C8H10BrClN2S

Suppliers	Catalog Number
MP Biomedicals	05213841

Database	Data ID
PubChem	12572744

M. W.

281.6004

CAS

90732-58-4

Similarity

N/A

ID: 110125

{[(2,4-dichlorophenyl)methyl]sulfanyl}methanimidamide hydrobromide

$$$$ Data

M. F.

C8H9BrCl2N2S

Suppliers	Catalog Number
MP Biomedicals	05213844

Database	Data ID
PubChem	15945669

M. W.

316.04546

CAS

1073-70-7

Similarity

N/A

ID: 110126

1-phenylpentan-1-ol

$$$$ Data More

M. F.

C11H16O

Suppliers	Catalog Number
MP Biomedicals	05213847
Alfa Aesar	L04646
Enamine	EN300-128588

Database	Data ID
PubChem	3338

M. W.

164.24414

CAS

583-03-9

Similarity

N/A

ID: 110127

magnesium(2+) ion dipotassium 2-({2-[bis(carboxylatomethyl)amino]ethyl}(carboxyl...

$$$$ Data

M. F.

C10H12K2MgN2O8

Suppliers	Catalog Number
MP Biomedicals	05213850

Database	Data ID
PubChem	85061

M. W.

390.71248

CAS

15708-48-2

Similarity

N/A

ID: 110128

cadmium(2+) ion 2-({2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}(carboxymet...

$$$$ Data

M. F.

C10H14CdN2O8

Suppliers	Catalog Number
MP Biomedicals	05213853

Database	Data ID
PubChem	27584

M. W.

402.63776

CAS

15954-91-3

Similarity

N/A

ID: 110129

1-ethynylcyclopentan-1-ol

$$$$ Data More

M. F.

C7H10O

Suppliers	Catalog Number
Sigma Aldrich	130869
MP Biomedicals	05213856
Alfa Aesar	B23109

Database	Data ID
PubChem	87074

M. W.

110.1537

CAS

17356-19-3

Similarity

N/A

ID: 110130

N-ethyl-4-methylbenzene-1-sulfonamide

$$$$ Data

M. F.

C9H13NO2S

Suppliers	Catalog Number
Sigma Aldrich	415367
MP Biomedicals	05213857

Database	Data ID
PubChem	6637

M. W.

199.27002

CAS

80-39-7

Similarity

N/A

ID: 110131

1,2,2,6-tetramethylpiperidin-4-yl 2-hydroxy-2-phenylacetate hydrochloride

$$$$ Data

M. F.

C17H26ClNO3

Suppliers	Catalog Number
Sigma Aldrich	E5501
MP Biomedicals	05213867

Database	Data ID
PubChem	102428

M. W.

327.84624

CAS

536-93-6

Similarity

N/A

ID: 110132

1-ethenyl-4-methylbenzene

$$$$ Data More

M. F.

C9H10

Suppliers	Catalog Number
Sigma Aldrich	M80806 69200
MP Biomedicals	05213871
Alfa Aesar	L01480

Database	Data ID
PubChem	12161

M. W.

118.1757

CAS

622-97-9

Similarity

N/A

ID: 110133

(2E)-dec-2-en-1-yl acetate

$$$$ Data

M. F.

C12H22O2

Suppliers	Catalog Number
MP Biomedicals	05213873

Database	Data ID
PubChem	5363207

M. W.

198.30188

CAS

Similarity

N/A

ID: 110134

2-fluoroacetamide

$$$$ Data

M. F.

C2H4FNO

Suppliers	Catalog Number
Sigma Aldrich	128341 46390
MP Biomedicals	05213878
Enamine	EN300-19853

Database	Data ID
Wikipedia	Fluoroacetamide
PubChem	12542

M. W.

77.0576632

CAS

640-19-7

Similarity

N/A

ID: 110135

dec-9-en-1-yl acetate

$$$$ Data

M. F.

C12H22O2

Suppliers	Catalog Number
MP Biomedicals	05213879

Database	Data ID
PubChem	39801

M. W.

198.30188

CAS

50816-18-7

Similarity

N/A

ID: 110136

cyclohepta-1,3,5-triene

$$$$ Data More

M. F.

C7H8

Suppliers	Catalog Number
Sigma Aldrich	C99205 28858
MP Biomedicals	05213881
Alfa Aesar	A17064

Database	Data ID
Wikipedia	Cycloheptatriene
PubChem	11000

M. W.

92.13842

CAS

544-25-2

Similarity

N/A

ID: 110137

cyclohexane-1,2-diol

$$$$ Data More

M. F.

C6H12O2

Suppliers	Catalog Number
MP Biomedicals	05213884
Alfa Aesar	A18572
InterBioScreen	BB_SC-1999

Database	Data ID
PubChem	13601

M. W.

116.15828

CAS

931-17-9

Similarity

N/A

ID: 110138

cyclohex-3-ene-1-carbonitrile

$$$$ Data

M. F.

C7H9N

Suppliers	Catalog Number
MP Biomedicals	05213887

Database	Data ID
PubChem	66013

M. W.

107.15306

CAS

100-45-8

Similarity

N/A

ID: 110139

3-(3-aminobenzoyl)aniline

$$$$ Data

M. F.

C13H12N2O

Suppliers	Catalog Number
MP Biomedicals	05213891
Alfa Aesar	L09128

Database	Data ID
PubChem	69145

M. W.

212.24718

CAS

611-79-0

Similarity

N/A

ID: 110140

4-ethylphenol

$$$$ Data More

M. F.

C8H10O

Suppliers	Catalog Number
Sigma Aldrich	W315605 E44205 36724 (more...)
MP Biomedicals	05213892
Alfa Aesar	B23433

Database	Data ID
Wikipedia	4-Ethylphenol
PubChem	31242

M. W.

122.1644

CAS

123-07-9

Similarity

N/A

ID: 110141

decahydronaphthalen-2-yl formate

$$$$ Data

M. F.

C11H18O2

Suppliers	Catalog Number
MP Biomedicals	05213894

Database	Data ID
PubChem	25325

M. W.

182.25942

CAS

10519-12-7

Similarity

N/A

ID: 110142

1-(ethylsulfanyl)decane

$$$$ Data

M. F.

C12H26S

Suppliers	Catalog Number
MP Biomedicals	05213897

Database	Data ID
PubChem	292593

M. W.

202.39984

CAS

19313-61-2

Similarity

N/A

ID: 110143

dilithium(1+) ion dioxotungstenbis(olate)

$$$$ Data

M. F.

Li2O4W

Suppliers	Catalog Number
Sigma Aldrich	400912
MP Biomedicals	05213901
Alfa Aesar	43366

Database	Data ID
PubChem	6095624

M. W.

261.7196

CAS

13568-45-1

Similarity

N/A

ID: 110144

dilithium(1+) ion oxozirconiumbis(olate)

$$$$ Data

M. F.

Li2O3Zr

Suppliers	Catalog Number
Sigma Aldrich	400920
MP Biomedicals	05213902
Alfa Aesar	39377

Database	Data ID
PubChem	6093659

M. W.

153.1042

CAS

12031-83-3

Similarity

N/A

ID: 110145

2-[(2R,6S)-6-[(2S)-2-hydroxy-2-phenylethyl]-1-methylpiperidin-2-yl]-1-phenyletha...

$$$$ Data

M. F.

C22H28ClNO2

Suppliers	Catalog Number
Sigma Aldrich	L4376 141879 62630
MP Biomedicals	05213904

Database	Data ID
PubChem	101615

M. W.

373.91622

CAS

134-63-4

Similarity

N/A

ID: 110146

diphenylpteridine-2,4-diamine

$$$$ Data

M. F.

C18H14N6

Suppliers	Catalog Number
MP Biomedicals	05213907

Database	Data ID
PubChem	223355

M. W.

314.34396

CAS

18181-93-6

Similarity

N/A

ID: 110147

1-cyclopentyl-3-(prop-2-en-1-yl)thiourea

$$$$ Data

M. F.

C9H16N2S

Suppliers	Catalog Number
MP Biomedicals	05213913

Database	Data ID
PubChem	19650416

M. W.

184.30174

CAS

223754-95-8

Similarity

N/A

ID: 110148

1-ethenyl-1-[(1-ethenylcyclohexyl)oxy]cyclohexane

$$$$ Data

M. F.

C16H26O

Suppliers	Catalog Number
MP Biomedicals	05213916

Database	Data ID
PubChem	19089658

M. W.

234.37704

CAS

Similarity

N/A

ID: 110149

copper(2+) ion bis(8-hydroxyquinoline-2-carboxylate)

$$$$ Data

M. F.

C20H12CuN2O6

Suppliers	Catalog Number
MP Biomedicals	05213921

Database	Data ID
PubChem	54720975

M. W.

439.86508

CAS

10380-28-6

Similarity

N/A

ID: 110150

(1S,2S,5S,7S,10R,11S,14S,15R)-2,15-dimethyl-14-[(2S)-6-methylheptan-2-yl]tetracy...

$$$$ Data

M. F.

C27H48O

Suppliers	Catalog Number
MP Biomedicals	05213924

Database	Data ID
PubChem	637621

M. W.

388.66942

CAS

360-68-9

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