Chembase list of 866358 unique molecular structures

$$$$ Data More

M. F.

C6H11BrO2

Suppliers	Catalog Number
Sigma Aldrich	167118 16540
Alfa Aesar	A13470
Apollo Scientific	OR14983

Database	Data ID
PubChem	76300

M. W.

195.05434

CAS

2969-81-5

Similarity

N/A

ID: 77552

4-chloro-3,3-dimethylbutanenitrile

$$$$ Data

M. F.

C6H10ClN

Suppliers	Catalog Number
Apollo Scientific	OR14984

Database	Data ID
PubChem	14027413

M. W.

131.6033

CAS

Similarity

N/A

ID: 77553

sodium benzenesulfonate

$$$$ Data

M. F.

C6H5NaO3S

Suppliers	Catalog Number
Sigma Aldrich	147281 12680 12690
Alfa Aesar	H25931
Apollo Scientific	OR14985

Database	Data ID
PubChem	517327

M. W.

180.15687

CAS

515-42-4

Similarity

N/A

ID: 77554

1,3-bis(hydroxymethyl)-5,5-dimethylimidazolidine-2,4-dione

$$$$ Data

M. F.

C7H12N2O4

Suppliers	Catalog Number
Apollo Scientific	OR14987
A&J Pharmtech	AJA-O10938

Database	Data ID
Wikipedia	DMDM_hydantoin
PubChem	22947

M. W.

188.18118

CAS

6440-58-0

Similarity

N/A

ID: 77555

diethyl [(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]phosphonate

$$$$ Data

M. F.

C19H33O4P

Suppliers	Catalog Number
Apollo Scientific	OR14989

Database	Data ID
PubChem	70421

M. W.

356.436681

CAS

Similarity

N/A

ID: 77556

1,3-oxazole

$$$$ Data More

M. F.

C3H3NO

Suppliers	Catalog Number
Sigma Aldrich	230138
Alfa Aesar	L18341
Apollo Scientific	OR14992

Database	Data ID
Wikipedia	Oxazole
PubChem	9255

M. W.

69.06202

CAS

288-42-6

Similarity

N/A

ID: 77557

1,3-oxazole-2-carbaldehyde

$$$$ Data

M. F.

C4H3NO2

Suppliers	Catalog Number
Apollo Scientific	OR14993
A&J Pharmtech	AJA-O13723 AJA-O11269 AJA-O12994 (more...)

Database	Data ID
PubChem	14786609

M. W.

97.07212

CAS

65373-52-6

Similarity

N/A

ID: 77558

(2S)-1-phenylpropan-2-ol

$$$$ Data

M. F.

C9H12O

Suppliers	Catalog Number
Sigma Aldrich	78927
Apollo Scientific	OR150

Database	Data ID
PubChem	6994174

M. W.

136.19098

CAS

1572-95-8

Similarity

N/A

ID: 77559

2-bromo-1-(2,5-dihydroxyphenyl)ethan-1-one

$$$$ Data

M. F.

C8H7BrO3

Suppliers	Catalog Number
Apollo Scientific	OR15000

Database	Data ID
PubChem	152683

M. W.

231.04338

CAS

25015-91-2

Similarity

N/A

ID: 77560

4-chloro-2-methoxy-1-methylbenzene

$$$$ Data

M. F.

C8H9ClO

Suppliers	Catalog Number
Apollo Scientific	OR15003

Database	Data ID
PubChem	292858

M. W.

156.60946

CAS

40794-04-5

Similarity

N/A

ID: 77561

1,4-dichloro-2-methoxybenzene

$$$$ Data

M. F.

C7H6Cl2O

Suppliers	Catalog Number
Alfa Aesar	L13497
Apollo Scientific	OR15004
Chemik	CHB85988

Database	Data ID
PubChem	16125

M. W.

177.02794

CAS

1984-58-3

Similarity

N/A

ID: 77562

methyl 5-bromo-2-iodobenzoate

$$$$ Data

M. F.

C8H6BrIO2

Suppliers	Catalog Number
Sigma Aldrich	652601
Apollo Scientific	OR15005
Chemik	CHB85524

Database	Data ID
PubChem	11078356

M. W.

340.94051

CAS

181765-86-6

Similarity

N/A

ID: 77563

methyl 2-amino-5-chloro-3-iodobenzoate

$$$$ Data

M. F.

C8H7ClINO2

Suppliers	Catalog Number
Sigma Aldrich	652628
Alfa Aesar	L20188
Apollo Scientific	OR15006

Database	Data ID
PubChem	7020924

M. W.

311.50415

CAS

289039-84-5

Similarity

N/A

ID: 77564

1-N-phenyl-4-N-(propan-2-yl)benzene-1,4-diamine

$$$$ Data More

M. F.

C15H18N2

Suppliers	Catalog Number
Alfa Aesar	B25378
Apollo Scientific	OR15007
Enamine	EN300-02412

Database	Data ID
PubChem	7573

M. W.

226.31682

CAS

101-72-4

Similarity

N/A

ID: 77565

ethyl 2-bromobutanoate

$$$$ Data More

M. F.

C6H11BrO2

Suppliers	Catalog Number
Sigma Aldrich	E13814
MP Biomedicals	05213329
Alfa Aesar	A12729

Database	Data ID
PubChem	79039

M. W.

195.05434

CAS

533-68-6

Similarity

N/A

ID: 77566

2-chloro-4-methylaniline

$$$$ Data More

M. F.

C7H8ClN

Suppliers	Catalog Number
Sigma Aldrich	125075 25038
MP Biomedicals	05214466
Alfa Aesar	B22935

Database	Data ID
PubChem	12007

M. W.

141.59812

CAS

615-65-6

Similarity

N/A

ID: 77567

2-methyl-4-phenylaniline

$$$$ Data

M. F.

C13H13N

Suppliers	Catalog Number
Apollo Scientific	OR1500T
TRC	A614425

Database	Data ID
PubChem	44304

M. W.

183.24902

CAS

63019-98-7

Similarity

N/A

ID: 77568

benzyltrimethylazanium bromide

$$$$ Data More

M. F.

C10H16BrN

Suppliers	Catalog Number
Sigma Aldrich	147117 13965
MP Biomedicals	05213710
Alfa Aesar	A16840

Database	Data ID
PubChem	21449

M. W.

230.14474

CAS

5350-41-4

Similarity

N/A

ID: 77569

4-(benzyloxy)pyridin-2-ol

$$$$ Data

M. F.

C12H11NO2

Suppliers	Catalog Number
Alfa Aesar	B24774
Apollo Scientific	OR15014

Database	Data ID
PubChem	3607724

M. W.

201.22124

CAS

53937-02-3

Similarity

N/A

ID: 77570

[4-(tert-butoxy)phenyl]boronic acid

$$$$ Data

M. F.

C10H15BO3

Suppliers	Catalog Number
Apollo Scientific	OR15015

Database	Data ID
PubChem	11389935

M. W.

194.0353

CAS

176672-49-4

Similarity

N/A

ID: 77571

hexadecane-1-sulfonyl chloride

$$$$ Data

M. F.

C16H33ClO2S

Suppliers	Catalog Number
Sigma Aldrich	H6762
Alfa Aesar	A14396
Apollo Scientific	OR15019

Database	Data ID
PubChem	96923

M. W.

324.95002

CAS

38775-38-1

Similarity

N/A

ID: 77572

(2S)-2-amino-3-[(benzylcarbamothioyl)sulfanyl]propanoic acid

$$$$ Data

M. F.

C11H14N2O2S2

Suppliers	Catalog Number
Apollo Scientific	OR1501T

Database	Data ID
PubChem	7043232

M. W.

270.37106

CAS

35446-36-7

Similarity

N/A

ID: 77573

ethyl 4-(chlorosulfonyl)-2,5-dimethyl-1-phenyl-1H-pyrrole-3-carboxylate

$$$$ Data

M. F.

C15H16ClNO4S

Suppliers	Catalog Number
Apollo Scientific	OR1502

Database	Data ID
PubChem	2736397

M. W.

341.80984

CAS

Similarity

N/A

ID: 77574

2-bromo-6-methylpyrazine

$$$$ Data

M. F.

C5H5BrN2

Suppliers	Catalog Number
Apollo Scientific	OR15020
Bide Pharmatech	BD72078
A&J Pharmtech	AJA-O23580

Database	Data ID
PubChem	26370304

M. W.

173.0106

CAS

914452-71-4

Similarity

N/A

ID: 77575

2-(1H-pyrazol-3-yl)phenol

$$$$ Data

M. F.

C9H8N2O

Suppliers	Catalog Number
Sigma Aldrich	417831
Apollo Scientific	OR15021
Enamine	EN300-55848

Database	Data ID
PubChem	5409210

M. W.

160.17262

CAS

34810-67-8

Similarity

N/A

ID: 77576

pyridin-1-ium; tribroman-2-uide

$$$$ Data More

M. F.

C5H6Br3N

Suppliers	Catalog Number
Sigma Aldrich	133248 82795 82791
MP Biomedicals	02151987
Apollo Scientific	OR15023

Database	Data ID
PubChem	11983801

M. W.

319.81984

CAS

39416-48-3

Similarity

N/A

ID: 77577

4,4,5,5-tetramethyl-2-(4-phenylphenyl)-1,3,2-dioxaborolane

$$$$ Data

M. F.

C18H21BO2

Suppliers	Catalog Number
Alfa Aesar	H59919
Apollo Scientific	OR15024
A&J Pharmtech	AJA-O29418

Database	Data ID
PubChem	11989651

M. W.

280.16914

CAS

144432-80-4

Similarity

N/A

ID: 77578

1-benzoyl-3-(3,5-dimethylphenyl)thiourea

$$$$ Data

M. F.

C16H16N2OS

Suppliers	Catalog Number
Apollo Scientific	OR15025

Database	Data ID
PubChem	884617

M. W.

284.37604

CAS

Similarity

N/A

ID: 77579

1-(4-methylthiophen-2-yl)ethan-1-one

$$$$ Data More

M. F.

C7H8OS

Suppliers	Catalog Number
Sigma Aldrich	633046
ChemBridge	4004647
Alfa Aesar	L17617

Database	Data ID
PubChem	83654

M. W.

140.20282

CAS

13679-73-7

Similarity

N/A

ID: 77580

5-nitrofuran-2-carbohydrazide

$$$$ Data

M. F.

C5H5N3O4

Suppliers	Catalog Number
Apollo Scientific	OR1503

Database	Data ID
PubChem	3713598

M. W.

171.1109

CAS

Similarity

N/A

ID: 77581

2-bromo-4-chloroaniline

$$$$ Data More

M. F.

C6H5BrClN

Suppliers	Catalog Number
Sigma Aldrich	544485
Alfa Aesar	L03808
Apollo Scientific	OR15032

Database	Data ID
PubChem	70110

M. W.

206.4676

CAS

873-38-1

Similarity

N/A

ID: 77582

3-chloro-5-iodobenzonitrile

$$$$ Data

M. F.

C7H3ClIN

Suppliers	Catalog Number
Apollo Scientific	OR15035

Database	Data ID
PubChem	24721574

M. W.

263.46289

CAS

289039-30-1

Similarity

N/A

ID: 77583

1-(thiophene-2-carbonyl)-1,4-diazepane

$$$$ Data

M. F.

C10H14N2OS

Suppliers	Catalog Number
Maybridge	AW00329
Apollo Scientific	OR15036

Database	Data ID
PubChem	2795677

M. W.

210.29596

CAS

683274-51-3

Similarity

N/A

ID: 77584

ethyl 5-cyano-6-methyl-2-(piperazin-1-yl)pyridine-3-carboxylate

$$$$ Data

M. F.

C14H18N4O2

Suppliers	Catalog Number
Apollo Scientific	OR15037

Database	Data ID
PubChem	2795912

M. W.

274.31832

CAS

Similarity

N/A

ID: 77585

1-{thieno[3,2-d]pyrimidin-4-yl}piperazine

$$$$ Data

M. F.

C10H12N4S

Suppliers	Catalog Number
Apollo Scientific	OR15038
Enamine	EN300-84637

Database	Data ID
PubChem	2760428

M. W.

220.29408

CAS

Similarity

N/A

ID: 77586

3-butoxy-4-methoxybenzoic acid

$$$$ Data

M. F.

C12H16O4

Suppliers	Catalog Number
Maybridge	KM09976
Apollo Scientific	OR1504

Database	Data ID
PubChem	2735652

M. W.

224.25304

CAS

66924-20-7

Similarity

N/A

ID: 77587

1,3,4-thiadiazole-2-thiol

$$$$ Data

M. F.

C2H2N2S2

Suppliers	Catalog Number
Alfa Aesar	B22556
Apollo Scientific	OR15040

Database	Data ID
PubChem	3034302

M. W.

118.18068

CAS

18686-82-3

Similarity

N/A

ID: 77588

3-benzoyl-1-(4-cyanophenyl)thiourea

$$$$ Data

M. F.

C15H11N3OS

Suppliers	Catalog Number
Apollo Scientific	OR15041

Database	Data ID
PubChem	909203

M. W.

281.33234

CAS

Similarity

N/A

ID: 77589

2-amino-4-chlorobenzonitrile

$$$$ Data More

M. F.

C7H5ClN2

Suppliers	Catalog Number
Sigma Aldrich	405280 07385
Alfa Aesar	B25120
Apollo Scientific	OR15043

Database	Data ID
PubChem	170059

M. W.

152.581

CAS

38487-86-4

Similarity

N/A

ID: 77590

5-chloro-2-(1H-1,2,3,4-tetrazol-5-yl)aniline

$$$$ Data

M. F.

C7H6ClN5

Suppliers	Catalog Number
Apollo Scientific	OR15044

Database	Data ID
PubChem	104673

M. W.

195.60904

CAS

Similarity

N/A

ID: 77591

methyl (2R)-1-(5-nitropyridin-2-yl)pyrrolidine-2-carboxylate

$$$$ Data

M. F.

C11H13N3O4

Suppliers	Catalog Number
Apollo Scientific	OR15049

Database	Data ID
PubChem	44118782

M. W.

251.23862

CAS

Similarity

N/A

ID: 77592

ethyl 3-(4-chlorophenyl)-2-oxopropanoate

$$$$ Data

M. F.

C11H11ClO3

Suppliers	Catalog Number
Apollo Scientific	OR1505

Database	Data ID
PubChem	2736395

M. W.

226.65624

CAS

99334-10-8

Similarity

N/A

ID: 77593

4-aminopent-3-en-2-one

$$$$ Data

M. F.

C5H9NO

Suppliers	Catalog Number
Alfa Aesar	L08379
Apollo Scientific	OR1506

Database	Data ID
PubChem	5367854

M. W.

99.13106

CAS

1118-66-7

Similarity

N/A

ID: 77594

5-methyl-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-aminium bromide

$$$$ Data

M. F.

C14H18BrN2S

Suppliers	Catalog Number
Apollo Scientific	OR1507

Database	Data ID
PubChem	2735354

M. W.

326.27512

CAS

Similarity

N/A

ID: 77595

tert-butyl 3-[(dimethylamino)methylidene]-4-oxopiperidine-1-carboxylate

$$$$ Data

M. F.

C13H22N2O3

Suppliers	Catalog Number
Apollo Scientific	OR15082
Bide Pharmatech	BD157973

Database	Data ID
PubChem	22088592

M. W.

254.32538

CAS

157327-41-8

Similarity

N/A

ID: 77596

ethyl 2-cyano-3-(4-hydroxyphenyl)prop-2-enoate

$$$$ Data

M. F.

C12H11NO3

Suppliers	Catalog Number
Apollo Scientific	OR15088

Database	Data ID
PubChem	1550980

M. W.

217.22064

CAS

6935-44-0

Similarity

N/A

ID: 77597

ethyl 2-cyano-3-(4-nitrophenyl)prop-2-enoate

$$$$ Data

M. F.

C12H10N2O4

Suppliers	Catalog Number
Apollo Scientific	OR15089

Database	Data ID
PubChem	5709923

M. W.

246.2188

CAS

Similarity

N/A

ID: 77598

4-bromo-1-isocyanato-2-methylbenzene

$$$$ Data

M. F.

C8H6BrNO

Suppliers	Catalog Number
Apollo Scientific	OR1509

Database	Data ID
PubChem	2735594

M. W.

212.04334

CAS

1591-98-6

Similarity

N/A

ID: 77599

ethyl 2-cyano-3-(pyridin-4-yl)prop-2-enoate

$$$$ Data

M. F.

C11H10N2O2

Suppliers	Catalog Number
Apollo Scientific	OR15090
Enamine	EN300-122253

Database	Data ID
PubChem	5716886

M. W.

202.2093

CAS

Similarity

N/A

ID: 77600

ethyl 3-(4-tert-butylphenyl)-2-cyanoprop-2-enoate

$$$$ Data

M. F.

C16H19NO2

Suppliers	Catalog Number
Apollo Scientific	OR15095

Database	Data ID
PubChem	19183401

M. W.

257.32756

CAS

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