Chembase list of 866358 unique molecular structures

$$$$ Data More

M. F.

C8H9BrO

Suppliers	Catalog Number
Sigma Aldrich	196371 349518
Alfa Aesar	B21669
Apollo Scientific	OR59890 OR5479

Database	Data ID
PubChem	16919

M. W.

201.06046

CAS

2374/5/2

Similarity

N/A

ID: 89852

2-chloro-2-phenylacetyl chloride

$$$$ Data

M. F.

C8H6Cl2O

Suppliers	Catalog Number
Sigma Aldrich	130966 25900
Apollo Scientific	OR5480

Database	Data ID
PubChem	102902

M. W.

189.03864

CAS

2912-62-1

Similarity

N/A

ID: 89853

ethyl 2-chloro-3-oxobutanoate

$$$$ Data More

M. F.

C6H9ClO3

Suppliers	Catalog Number
Sigma Aldrich	10895 E16902 22811
MP Biomedicals	05202713
Alfa Aesar	A19810

Database	Data ID
PubChem	11858

M. W.

164.58686

CAS

609-15-4

Similarity

N/A

ID: 89854

N-(2-chloro-4-cyanophenyl)acetamide

$$$$ Data

M. F.

C9H7ClN2O

Suppliers	Catalog Number
Apollo Scientific	OR5482

Database	Data ID
PubChem	2735721

M. W.

194.61768

CAS

Similarity

N/A

ID: 89855

N-(2,6-dichloro-4-cyanophenyl)acetamide

$$$$ Data

M. F.

C9H6Cl2N2O

Suppliers	Catalog Number
Apollo Scientific	OR5483

Database	Data ID
PubChem	2735977

M. W.

229.06274

CAS

Similarity

N/A

ID: 89856

2-bromo-1-chloro-3-methylbenzene

$$$$ Data

M. F.

C7H6BrCl

Suppliers	Catalog Number
Apollo Scientific	OR5484

Database	Data ID
PubChem	2735553

M. W.

205.47954

CAS

69190-56-3

Similarity

N/A

ID: 89857

N-(2-bromo-4-cyanophenyl)acetamide

$$$$ Data

M. F.

C9H7BrN2O

Suppliers	Catalog Number
Apollo Scientific	OR5485

Database	Data ID
PubChem	2735556

M. W.

239.06868

CAS

Similarity

N/A

ID: 89858

N-(2,6-dibromo-4-cyanophenyl)acetamide

$$$$ Data

M. F.

C9H6Br2N2O

Suppliers	Catalog Number
Apollo Scientific	OR5486

Database	Data ID
PubChem	2735942

M. W.

317.96474

CAS

Similarity

N/A

ID: 89859

2,5-dihydro-1H-pyrrole-2,5-dione

$$$$ Data More

M. F.

C4H3NO2

Suppliers	Catalog Number
Sigma Aldrich	129585 63171
Alfa Aesar	A13135
Apollo Scientific	OR5487

Database	Data ID
Wikipedia	Maleimide
PubChem	10935

M. W.

97.07212

CAS

541-59-3

Similarity

N/A

ID: 89860

1-methyl-2,5-dihydro-1H-pyrrole-2,5-dione

$$$$ Data More

M. F.

C5H5NO2

Suppliers	Catalog Number
Sigma Aldrich	389412
MP Biomedicals	02102235
Alfa Aesar	L00437

Database	Data ID
PubChem	70261

M. W.

111.0987

CAS

930-88-1

Similarity

N/A

ID: 89861

2,3-diaminopropanoic acid hydrochloride

$$$$ Data More

M. F.

C3H9ClN2O2

Suppliers	Catalog Number
Sigma Aldrich	D1502 219630 33280
MP Biomedicals	02100448
Alfa Aesar	L09485

Database	Data ID
PubChem	108638

M. W.

140.56876

CAS

54897-59-5

Similarity

N/A

ID: 89862

(2E)-1-chlorobut-2-ene

$$$$ Data

M. F.

C4H7Cl

Suppliers	Catalog Number
Sigma Aldrich	28115 254584
Apollo Scientific	OR5497

Database	Data ID
PubChem	637923

M. W.

90.55138

CAS

4894-61-5

Similarity

N/A

ID: 89863

1-iodononane

$$$$ Data More

M. F.

C9H19I

Suppliers	Catalog Number
Sigma Aldrich	251860
MP Biomedicals	05205535
Alfa Aesar	A10667

Database	Data ID
PubChem	20275

M. W.

254.15163

CAS

4282-42-2

Similarity

N/A

ID: 89864

imidazo[1,2-a]pyridin-7-amine

$$$$ Data

M. F.

C7H7N3

Suppliers	Catalog Number
Apollo Scientific	OR55000

Database	Data ID
PubChem	45087541

M. W.

133.15058

CAS

421595-81-5

Similarity

N/A

ID: 89865

pentan-3-ylhydrazine dihydrochloride

$$$$ Data

M. F.

C5H16Cl2N2

Suppliers	Catalog Number
Apollo Scientific	OR55003
Enamine	EN300-78191

Database	Data ID
PubChem	45933890

M. W.

175.09994

CAS

Similarity

N/A

ID: 89866

1-amino-2-methylpyridin-1-ium iodide

$$$$ Data

M. F.

C6H9IN2

Suppliers	Catalog Number
Apollo Scientific	OR55004
A&J Pharmtech	AJA-O12638

Database	Data ID
PubChem	12291507

M. W.

236.05353

CAS

7583-90-6

Similarity

N/A

ID: 89867

N-(2-chloroethyl)acetamide

$$$$ Data

M. F.

C4H8ClNO

Suppliers	Catalog Number
Alfa Aesar	A11802
Apollo Scientific	OR55006
A&J Pharmtech	AJA-O1510

Database	Data ID
PubChem	81815

M. W.

121.56542

CAS

7355-58-0

Similarity

N/A

ID: 89868

1-(5-tert-butyl-2-hydroxyphenyl)ethan-1-one

$$$$ Data

M. F.

C12H16O2

Suppliers	Catalog Number
Apollo Scientific	OR55007

Database	Data ID
PubChem	263092

M. W.

192.25424

CAS

57373-81-6

Similarity

N/A

ID: 89869

1,2-diethyl cyclopropane-1,2-dicarboxylate

$$$$ Data

M. F.

C9H14O4

Suppliers	Catalog Number
Apollo Scientific	OR55008

Database	Data ID
PubChem	89350

M. W.

186.20506

CAS

20561-09-5

Similarity

N/A

ID: 89870

bis(cycloocta-1,5-diene); dimethyl-2,4-dioxa-1,3-diiridabicyclo[1.1.0]butane-2,4...

$$$$ Data

M. F.

C18H30Ir2O2

Suppliers	Catalog Number
Sigma Aldrich	677930 685062
Apollo Scientific	OR55009

Database	Data ID
PubChem	53216975

M. W.

662.8636

CAS

12148-71-9

Similarity

N/A

ID: 89871

(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydr...

$$$$ Data

M. F.

C12H22O11

Suppliers	Catalog Number
MP Biomedicals	02101298
Apollo Scientific	OR5500T

Database	Data ID
PubChem	10712

M. W.

342.29648

CAS

528-50-7

Similarity

N/A

ID: 89872

6-methylpyridin-2-amine

$$$$ Data More

M. F.

C6H8N2

Suppliers	Catalog Number
Sigma Aldrich	A75706
MP Biomedicals	05208066
Alfa Aesar	A10444

Database	Data ID
PubChem	15765

M. W.

108.14112

CAS

1824-81-3

Similarity

N/A

ID: 89873

1-chloro-2-methyl-4-nitrobenzene

$$$$ Data More

M. F.

C7H6ClNO2

Suppliers	Catalog Number
Sigma Aldrich	25625
Alfa Aesar	L10832
Apollo Scientific	OR5503

Database	Data ID
PubChem	83315

M. W.

171.58104

CAS

13290-74-9

Similarity

N/A

ID: 89874

2-amino-N-cyclohexyl-N-methylbenzene-1-sulfonamide

$$$$ Data

M. F.

C13H20N2O2S

Suppliers	Catalog Number
Sigma Aldrich	522325
Apollo Scientific	OR5504

Database	Data ID
PubChem	116814

M. W.

268.3751

CAS

70693-59-3

Similarity

N/A

ID: 89875

thiolan-3-one

$$$$ Data More

M. F.

C4H6OS

Suppliers	Catalog Number
Sigma Aldrich	264784 W326607 37390
Alfa Aesar	A11002
Apollo Scientific	OR5506

Database	Data ID
PubChem	61252

M. W.

102.15484

CAS

1003-04-9

Similarity

N/A

ID: 89876

1-(3-chloropropyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one

$$$$ Data

M. F.

C10H11ClN2O

Suppliers	Catalog Number
Apollo Scientific	OR5507
InterBioScreen	BB_SC-5570
A&J Pharmtech	AJA-O10923

Database	Data ID
PubChem	1810419

M. W.

210.66014

CAS

62780-89-6

Similarity

N/A

ID: 89877

3-methyl-2,5-dihydrofuran-2,5-dione

$$$$ Data More

M. F.

C5H4O3

Suppliers	Catalog Number
Sigma Aldrich	125318 27430 27429
MP Biomedicals	05211149 02150695
Alfa Aesar	L05238

Database	Data ID
PubChem	12012

M. W.

112.08346

CAS

616-02-4

Similarity

N/A

ID: 89878

(2-ethoxy-2-oxoethyl)dimethylsulfanium bromide

$$$$ Data

M. F.

C6H13BrO2S

Suppliers	Catalog Number
Sigma Aldrich	145262
Alfa Aesar	L00266
Apollo Scientific	OR5509

Database	Data ID
PubChem	78861

M. W.

229.13522

CAS

5187-82-6

Similarity

N/A

ID: 89879

2,4-dichloro-3-nitrophenol

$$$$ Data

M. F.

C6H3Cl2NO3

Suppliers	Catalog Number
Alfa Aesar	H25807
Apollo Scientific	OR5510
Bide Pharmatech	BD20594

Database	Data ID
PubChem	20513932

M. W.

207.99892

CAS

38902-87-3

Similarity

N/A

ID: 89880

hept-1-yne

$$$$ Data More

M. F.

C7H12

Suppliers	Catalog Number
Sigma Aldrich	244414 51950
MP Biomedicals	05214527
Alfa Aesar	A11130

Database	Data ID
PubChem	12350

M. W.

96.17018

CAS

628-71-7

Similarity

N/A

ID: 89881

pent-1-yne

$$$$ Data

M. F.

C5H8

Suppliers	Catalog Number
Sigma Aldrich	256560 77050
Alfa Aesar	L02479
Apollo Scientific	OR5512

Database	Data ID
Wikipedia	1-Pentyne
PubChem	12309

M. W.

68.11702

CAS

627-19-0

Similarity

N/A

ID: 89882

oct-1-yne

$$$$ Data More

M. F.

C8H14

Suppliers	Catalog Number
Sigma Aldrich	244465 74970
MP Biomedicals	05209474
Alfa Aesar	A12440

Database	Data ID
PubChem	12370

M. W.

110.19676

CAS

629-05-0

Similarity

N/A

ID: 89883

hex-3-yn-1-ol

$$$$ Data

M. F.

C6H10O

Suppliers	Catalog Number
Sigma Aldrich	244430
MP Biomedicals	05208553
Apollo Scientific	OR5514

Database	Data ID
PubChem	66083

M. W.

98.143

CAS

1002-28-4

Similarity

N/A

ID: 89884

hept-3-yn-1-ol

$$$$ Data More

M. F.

C7H12O

Suppliers	Catalog Number
Sigma Aldrich	630845
MP Biomedicals	05213577
Alfa Aesar	B20884

Database	Data ID
PubChem	84693

M. W.

112.16958

CAS

14916-79-1

Similarity

N/A

ID: 89885

pent-3-yn-1-ol

$$$$ Data More

M. F.

C5H8O

Suppliers	Catalog Number
Sigma Aldrich	208698 77051
MP Biomedicals	05225439
Apollo Scientific	OR5516

Database	Data ID
PubChem	66295

M. W.

84.11642

CAS

10229-10-4

Similarity

N/A

ID: 89886

oct-3-yn-1-ol

$$$$ Data More

M. F.

C8H14O

Suppliers	Catalog Number
Sigma Aldrich	545430
MP Biomedicals	05217306
Alfa Aesar	L05414

Database	Data ID
PubChem	84694

M. W.

126.19616

CAS

14916-80-4

Similarity

N/A

ID: 89887

pent-4-yn-1-ol

$$$$ Data More

M. F.

C5H8O

Suppliers	Catalog Number
Sigma Aldrich	302481 77053
MP Biomedicals	05226068
Alfa Aesar	A10405

Database	Data ID
PubChem	79346

M. W.

84.11642

CAS

5390-04-5

Similarity

N/A

ID: 89888

pent-2-yn-1-ol

$$$$ Data More

M. F.

C5H8O

Suppliers	Catalog Number
Sigma Aldrich	335312
MP Biomedicals	05201507
Alfa Aesar	A12999

Database	Data ID
PubChem	80421

M. W.

84.11642

CAS

6261-22-9

Similarity

N/A

ID: 89889

hept-2-yne

$$$$ Data More

M. F.

C7H12

Suppliers	Catalog Number
Sigma Aldrich	388602
MP Biomedicals	05207575
Alfa Aesar	B21528

Database	Data ID
PubChem	14245

M. W.

96.17018

CAS

1119-65-9

Similarity

N/A

ID: 89890

pent-2-yne

$$$$ Data More

M. F.

C5H8

Suppliers	Catalog Number
Sigma Aldrich	271357
MP Biomedicals	05216508
Alfa Aesar	L02973

Database	Data ID
Wikipedia	2-Pentyne
PubChem	12310

M. W.

68.11702

CAS

627-21-4

Similarity

N/A

ID: 89891

oct-4-yne

$$$$ Data

M. F.

C8H14

Suppliers	Catalog Number
Sigma Aldrich	244473 74974
Alfa Aesar	43157
Apollo Scientific	OR5522

Database	Data ID
PubChem	16029

M. W.

110.19676

CAS

1942-45-6

Similarity

N/A

ID: 89892

hex-2-yne

$$$$ Data More

M. F.

C6H10

Suppliers	Catalog Number
Sigma Aldrich	293911 53085
MP Biomedicals	05204687
Alfa Aesar	B22405

Database	Data ID
PubChem	33629

M. W.

82.1436

CAS

764-35-2

Similarity

N/A

ID: 89893

hex-3-yne

$$$$ Data More

M. F.

C6H10

Suppliers	Catalog Number
Sigma Aldrich	306894 53081
MP Biomedicals	05208525
Alfa Aesar	L02682

Database	Data ID
Wikipedia	3-Hexyne
PubChem	13568

M. W.

82.1436

CAS

928-49-4

Similarity

N/A

ID: 89894

dodec-1-yne

$$$$ Data More

M. F.

C12H22

Suppliers	Catalog Number
Sigma Aldrich	244406
MP Biomedicals	05211732
Alfa Aesar	L02977

Database	Data ID
PubChem	69821

M. W.

166.30308

CAS

765-03-7

Similarity

N/A

ID: 89895

hexa-2,4-diene

$$$$ Data

M. F.

C6H10

Suppliers	Catalog Number
Sigma Aldrich	479861
MP Biomedicals	05220543 05203801
Apollo Scientific	OR5527

Database	Data ID
PubChem	638071

M. W.

82.1436

CAS

592-46-1

Similarity

N/A

ID: 89896

1,4-dichlorobut-2-yne

$$$$ Data

M. F.

C4H4Cl2

Suppliers	Catalog Number
Sigma Aldrich	D59607 35600
Apollo Scientific	OR5528
Bide Pharmatech	BD54614

Database	Data ID
PubChem	13182

M. W.

122.98056

CAS

821-10-3

Similarity

N/A

ID: 89897

1-bromobut-2-yne

$$$$ Data More

M. F.

C4H5Br

Suppliers	Catalog Number
Sigma Aldrich	427292 16507
Alfa Aesar	L20134
Apollo Scientific	OR5530

Database	Data ID
PubChem	2756862

M. W.

132.9865

CAS

3355-28-0

Similarity

N/A

ID: 89898

[4-chloro-2-(ethoxycarbonyl)phenyl]boronic acid

$$$$ Data

M. F.

C9H10BClO4

Suppliers	Catalog Number
Alfa Aesar	H53153
Apollo Scientific	OR5531

Database	Data ID
PubChem	23005360

M. W.

228.4373

CAS

850568-61-5

Similarity

N/A

ID: 89899

[3-chloro-4-(ethoxycarbonyl)phenyl]boronic acid

$$$$ Data

M. F.

C9H10BClO4

Suppliers	Catalog Number
Apollo Scientific	OR5532

Database	Data ID
PubChem	23005370

M. W.

228.4373

CAS

850568-11-5

Similarity

N/A

ID: 89900

[3-amino-5-(methoxycarbonyl)phenyl]boronic acid hydrochloride

$$$$ Data

M. F.

C8H11BClNO4

Suppliers	Catalog Number
Alfa Aesar	H52904
Apollo Scientific	OR5533
A&J Pharmtech	AJA-O32152

Database	Data ID
PubChem	16427084

M. W.

231.44124

CAS

380430-56-8

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