Chembase list of 866358 unique molecular structures

4-(2-butyl-1-benzofuran-3-carbonyl)phenol

$$$$ Data

M. F.

C19H18O3

Suppliers	Catalog Number
Matrix Scientific	063986
TRC	B691950
A&J Pharmtech	AJA-O1792

Database	Data ID
PubChem	96670

M. W.

294.34442

CAS

52490-15-0

Similarity

N/A

ID: 58802

2-(4-chlorophenyl)-1,1-diphenylethan-1-ol

$$$$ Data

M. F.

C20H17ClO

Suppliers	Catalog Number
Sigma Aldrich	345970
Matrix Scientific	063987

Database	Data ID
PubChem	1268061

M. W.

308.80138

CAS

109936-21-2

Similarity

N/A

ID: 58803

1,3,5-triphenylpentane-1,5-dione

$$$$ Data

M. F.

C23H20O2

Suppliers	Catalog Number
Matrix Scientific	063988

Database	Data ID
PubChem	138708

M. W.

328.4037

CAS

6263-84-9

Similarity

N/A

ID: 58804

2-(3-amino-4-methoxybenzenesulfonyl)ethan-1-ol

$$$$ Data

M. F.

C9H13NO4S

Suppliers	Catalog Number
Matrix Scientific	063989

Database	Data ID
PubChem	81925

M. W.

231.26882

CAS

7425-81-2

Similarity

N/A

ID: 58805

3-methyl-4-nitro-1-(propan-2-yl)-1H-pyrazole

$$$$ Data

M. F.

C7H11N3O2

Suppliers	Catalog Number
Matrix Scientific	063990

Database	Data ID
PubChem	25247752

M. W.

169.18114

CAS

Similarity

N/A

ID: 58806

2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid

$$$$ Data

M. F.

C13H13NO2

Suppliers	Catalog Number
ChemBridge	6050404
Matrix Scientific	063991
Enamine	EN300-30538

Database	Data ID
PubChem	2063433

M. W.

215.24782

CAS

65764-56-9

Similarity

N/A

ID: 58807

2-[2-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione

$$$$ Data

M. F.

C13H11N3O2

Suppliers	Catalog Number
Matrix Scientific	063992

Database	Data ID
PubChem	51342108

M. W.

241.24534

CAS

Similarity

N/A

ID: 58808

2-chloro-5-(1H-pyrazol-1-ylmethyl)pyridine

$$$$ Data

M. F.

C9H8ClN3

Suppliers	Catalog Number
Matrix Scientific	063993

Database	Data ID
PubChem	1473523

M. W.

193.63292

CAS

Similarity

N/A

ID: 58809

3-aminothiophene-2-carboxylic acid

$$$$ Data

M. F.

C5H5NO2S

Suppliers	Catalog Number
Matrix Scientific	063994
Apollo Scientific	OR2593
A&J Pharmtech	AJA-O34923

Database	Data ID
PubChem	1512497

M. W.

143.1637

CAS

55341-87-2

Similarity

N/A

ID: 58810

methyl 4-(chloromethyl)-5-methyl-1,2-oxazole-3-carboxylate

$$$$ Data

M. F.

C7H8ClNO3

Suppliers	Catalog Number
ChemBridge	4040172
Matrix Scientific	063995

Database	Data ID
PubChem	50896490

M. W.

189.59632

CAS

1177292-31-7

Similarity

N/A

ID: 58811

5-fluoro-4-hydrazinyl-2-methoxypyrimidine

$$$$ Data

M. F.

C5H7FN4O

Suppliers	Catalog Number
ChemBridge	4044462
Matrix Scientific	063996

Database	Data ID
PubChem	15790245

M. W.

158.1336832

CAS

166524-64-7

Similarity

N/A

ID: 58812

6-chloro-2-hydrazinyl-1,3-benzoxazole

$$$$ Data

M. F.

C7H6ClN3O

Suppliers	Catalog Number
ChemBridge	4100106
Matrix Scientific	063997

Database	Data ID
PubChem	23031941

M. W.

183.59504

CAS

912773-31-0

Similarity

N/A

ID: 58813

[1-(propan-2-yl)-1H-pyrazol-4-yl]methanol

$$$$ Data

M. F.

C7H12N2O

Suppliers	Catalog Number
Sigma Aldrich	CBR00257
ChemBridge	4015218
Matrix Scientific	063998

Database	Data ID
PubChem	23005683

M. W.

140.18298

CAS

1007542-22-4

Similarity

N/A

ID: 58814

methyl 1-methyl-5-oxopyrrolidine-2-carboxylate

$$$$ Data

M. F.

C7H11NO3

Suppliers	Catalog Number
Matrix Scientific	063999

Database	Data ID
PubChem	566571

M. W.

157.16714

CAS

Similarity

N/A

ID: 58815

2-chloro-1-methyl-1H-1,3-benzodiazole

$$$$ Data More

M. F.

C8H7ClN2

Suppliers	Catalog Number
Matrix Scientific	064000
Life Chemicals	F3379-1058
InterBioScreen	BB_SC-0528

Database	Data ID
PubChem	663080

M. W.

166.60758

CAS

1849-02-1

Similarity

N/A

ID: 58816

[4-(aminomethyl)phenyl]methanol

$$$$ Data More

M. F.

C8H11NO

Suppliers	Catalog Number
Matrix Scientific	064001
Apollo Scientific	OR6193
TRC	A614250

Database	Data ID
PubChem	6496943

M. W.

137.17904

CAS

214358-33-5

Similarity

N/A

ID: 58817

3-hydroxy-N,N-dimethylpropanamide

$$$$ Data

M. F.

C5H11NO2

Suppliers	Catalog Number
ChemBridge	4035245
Matrix Scientific	064002
Enamine	EN300-59853

Database	Data ID
PubChem	541623

M. W.

117.14634

CAS

29164-29-2

Similarity

N/A

ID: 58818

2-(2-oxopropoxy)benzonitrile

$$$$ Data

M. F.

C10H9NO2

Suppliers	Catalog Number
Matrix Scientific	064003

Database	Data ID
PubChem	5070307

M. W.

175.18396

CAS

Similarity

N/A

ID: 58819

5-phenyl-1,3-oxazol-2-amine

$$$$ Data

M. F.

C9H8N2O

Suppliers	Catalog Number
Matrix Scientific	064004
A&J Pharmtech	AJA-O38964

Database	Data ID
PubChem	12707563

M. W.

160.17262

CAS

6826-24-0

Similarity

N/A

ID: 58820

4-[(E)-2-(4-chlorophenyl)diazen-1-yl]benzene-1,3-diamine

$$$$ Data

M. F.

C12H11ClN4

Suppliers	Catalog Number
Matrix Scientific	064006

Database	Data ID
PubChem	12626484

M. W.

246.69554

CAS

Similarity

N/A

ID: 58821

2-amino-3,5-dibromo-O-[(Z)-2-methyl-1$l^{5},2-diazen-1-ylidene]benzen-1-one

$$$$ Data

M. F.

C7H7Br2N3O

Suppliers	Catalog Number
Matrix Scientific	064007

Database	Data ID
PubChem	12062758

M. W.

308.95798

CAS

Similarity

N/A

ID: 58822

2-amino-3,5-dibromo-O-[(Z)-2-tert-butyl-1$l^{5},2-diazen-1-ylidene]benzen-1-one

$$$$ Data

M. F.

C10H13Br2N3O

Suppliers	Catalog Number
Matrix Scientific	064008

Database	Data ID
PubChem	11739607

M. W.

351.03772

CAS

Similarity

N/A

ID: 58823

3-[(4-sulfanyl-1,2,3-thiadiazol-5-yl)amino]benzoic acid

$$$$ Data

M. F.

C9H7N3O2S2

Suppliers	Catalog Number
Matrix Scientific	064009

Database	Data ID
PubChem	51342109

M. W.

253.30078

CAS

Similarity

N/A

ID: 58824

(E)-N-[(3E)-3-(hydroxyimino)-2-(2-phenylhydrazin-1-ylidene)propylidene]hydroxyla...

$$$$ Data

M. F.

C9H10N4O2

Suppliers	Catalog Number
Matrix Scientific	064010

Database	Data ID
PubChem	51342110

M. W.

206.2013

CAS

Similarity

N/A

ID: 58825

1-[1-(4-methylbenzenesulfonyl)pyrrolidin-3-yl]-1H-pyrazole

$$$$ Data

M. F.

C14H17N3O2S

Suppliers	Catalog Number
Matrix Scientific	064011

Database	Data ID
PubChem	51342111

M. W.

291.36868

CAS

Similarity

N/A

ID: 58826

1-butyl-1H-imidazole

$$$$ Data More

M. F.

C7H12N2

Suppliers	Catalog Number
Sigma Aldrich	348414
Alfa Aesar	L07793
Matrix Scientific	064012

Database	Data ID
PubChem	61347

M. W.

124.18358

CAS

4316-42-1

Similarity

N/A

ID: 58827

ethyl 1-(furan-2-ylmethyl)piperidine-3-carboxylate

$$$$ Data

M. F.

C13H19NO3

Suppliers	Catalog Number
Matrix Scientific	064013

Database	Data ID
PubChem	45156988

M. W.

237.29486

CAS

Similarity

N/A

ID: 58828

4-bromo-2-nitro-1-nitrosobenzene

$$$$ Data

M. F.

C6H3BrN2O3

Suppliers	Catalog Number
Matrix Scientific	064014

Database	Data ID
PubChem	14972840

M. W.

231.00362

CAS

Similarity

N/A

ID: 58829

[(2,4-dibromo-6-nitrophenyl)imino]dimethyl-$l^{6}-sulfanone

$$$$ Data

M. F.

C8H8Br2N2O3S

Suppliers	Catalog Number
Matrix Scientific	064015

Database	Data ID
PubChem	51342112

M. W.

372.03372

CAS

Similarity

N/A

ID: 58830

tert-butyl[(2,4-dibromo-6-nitrophenyl)nitroso]amine

$$$$ Data

M. F.

C10H11Br2N3O3

Suppliers	Catalog Number
Matrix Scientific	064016

Database	Data ID
PubChem	15527906

M. W.

381.02064

CAS

Similarity

N/A

ID: 58831

2-cyano-N,N-dimethylacetamide

$$$$ Data More

M. F.

C5H8N2O

Suppliers	Catalog Number
Alfa Aesar	A10981
Matrix Scientific	064017
Maybridge	GK00548

Database	Data ID
PubChem	251143

M. W.

112.12982

CAS

7391-40-4

Similarity

N/A

ID: 58832

2-(methylamino)acetohydrazide

$$$$ Data

M. F.

C3H9N3O

Suppliers	Catalog Number
Matrix Scientific	064018

Database	Data ID
PubChem	22479968

M. W.

103.12306

CAS

Similarity

N/A

ID: 58833

5-methyl-1,2-oxazole-3-carboxamide

$$$$ Data More

M. F.

C5H6N2O2

Suppliers	Catalog Number
Matrix Scientific	064019
Apollo Scientific	OR103676
Bide Pharmatech	BD107339

Database	Data ID
PubChem	76981

M. W.

126.11334

CAS

3445-52-1

Similarity

N/A

ID: 58834

oxan-2-ylmethyl 4-methylbenzene-1-sulfonate

$$$$ Data

M. F.

C13H18O4S

Suppliers	Catalog Number
Matrix Scientific	064020
Enamine	EN300-73964

Database	Data ID
PubChem	12641003

M. W.

270.34462

CAS

Similarity

N/A

ID: 58835

1-propyl-1H-imidazole

$$$$ Data

M. F.

C6H10N2

Suppliers	Catalog Number
Matrix Scientific	064021
A&J Pharmtech	AJA-O11670

Database	Data ID
PubChem	118785

M. W.

110.157

CAS

35203-44-2

Similarity

N/A

ID: 58836

2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]acetic acid

$$$$ Data

M. F.

C11H8FNO2S

Suppliers	Catalog Number
Matrix Scientific	064022
InterBioScreen	BB_SC-5758
Enamine	EN300-11442

Database	Data ID
PubChem	2577547

M. W.

237.2501232

CAS

17969-24-3

Similarity

N/A

ID: 58837

2-tert-butyl-1H-imidazole

$$$$ Data

M. F.

C7H12N2

Suppliers	Catalog Number
ChemBridge	4039818
Matrix Scientific	064023

Database	Data ID
PubChem	498442

M. W.

124.18358

CAS

36947-69-0

Similarity

N/A

ID: 58838

2-[(5-methyl-1,3-benzoxazol-2-yl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione

$$$$ Data

M. F.

C17H12N2O3

Suppliers	Catalog Number
Matrix Scientific	064024

Database	Data ID
PubChem	51342114

M. W.

292.28878

CAS

Similarity

N/A

ID: 58839

5-cyclopropyl-1,3,4-oxadiazol-2-ol

$$$$ Data

M. F.

C5H6N2O2

Suppliers	Catalog Number
ChemBridge	4040600
Matrix Scientific	064025

Database	Data ID
PubChem	19876365

M. W.

126.11334

CAS

1227465-66-8

Similarity

N/A

ID: 58840

ethyl 2-[(2-methylphenyl)amino]acetate

$$$$ Data

M. F.

C11H15NO2

Suppliers	Catalog Number
Matrix Scientific	064026
Enamine	EN300-94751

Database	Data ID
PubChem	13435883

M. W.

193.2423

CAS

Similarity

N/A

ID: 58841

3-aminobutanoic acid

$$$$ Data More

M. F.

C4H9NO2

Suppliers	Catalog Number
Sigma Aldrich	A44207 07230
MP Biomedicals	02100940 05207510
Shanghai Lingjing	97

Database	Data ID
PubChem	10932

M. W.

103.11976

CAS

541-48-0

Similarity

N/A

ID: 58842

2-[2-(1,3-benzoxazol-2-yl)ethyl]-2,3-dihydro-1H-isoindole-1,3-dione

$$$$ Data

M. F.

C17H12N2O3

Suppliers	Catalog Number
Matrix Scientific	064028

Database	Data ID
PubChem	11645002

M. W.

292.28878

CAS

Similarity

N/A

ID: 58843

2-amino-6-methylpyridin-3-ol

$$$$ Data

M. F.

C6H8N2O

Suppliers	Catalog Number
Matrix Scientific	064029
Bide Pharmatech	BD70672
A&J Pharmtech	AJA-O20835

Database	Data ID
PubChem	88500

M. W.

124.14052

CAS

20348-16-7

Similarity

N/A

ID: 58844

1-(3-amino-4-hydroxyphenyl)ethan-1-one

$$$$ Data

M. F.

C8H9NO2

Suppliers	Catalog Number
Matrix Scientific	064030

Database	Data ID
PubChem	13724142

M. W.

151.16256

CAS

54255-50-4

Similarity

N/A

ID: 58845

ethyl 1-ethylpyrrolidine-2-carboxylate

$$$$ Data

M. F.

C9H17NO2

Suppliers	Catalog Number
Matrix Scientific	064031

Database	Data ID
PubChem	566743

M. W.

171.23678

CAS

938-54-5

Similarity

N/A

ID: 58846

3-{[(benzyloxy)carbonyl]amino}propanoic acid

$$$$ Data

M. F.

C11H13NO4

Suppliers	Catalog Number
Sigma Aldrich	C1376 95855
Matrix Scientific	064032
Enamine	EN300-40979

Database	Data ID
PubChem	75313

M. W.

223.22522

CAS

2304-94-1

Similarity

N/A

ID: 58847

3-{[(benzyloxy)carbonyl]amino}butanoic acid

$$$$ Data

M. F.

C12H15NO4

Suppliers	Catalog Number
Sigma Aldrich	39599
Matrix Scientific	064033
Enamine	EN300-75469

Database	Data ID
PubChem	304280

M. W.

237.2518

CAS

51440-81-4

Similarity

N/A

ID: 58848

1,1-difluoro-3-methylcyclohexane

$$$$ Data

M. F.

C7H12F2

Suppliers	Catalog Number
Matrix Scientific	064034

Database	Data ID
PubChem	15044192

M. W.

134.1669864

CAS

Similarity

N/A

ID: 58849

4-ethyl-1,1-difluorocyclohexane

$$$$ Data

M. F.

C8H14F2

Suppliers	Catalog Number
Matrix Scientific	064035

Database	Data ID
PubChem	54772461

M. W.

148.1935664

CAS

Similarity

N/A

ID: 58850

1-(2-nitrophenyl)piperazine

$$$$ Data

M. F.

C10H13N3O2

Suppliers	Catalog Number
Alfa Aesar	H26773
Matrix Scientific	064036
Apollo Scientific	OR6868

Database	Data ID
PubChem	100949

M. W.

207.22912

CAS

59084-06-9

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