Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C10H13N

Suppliers	Catalog Number
Sigma Aldrich	CBR00124
ChemBridge	9070687

Database	Data ID
PubChem	6387604

M. W.

147.21692

CAS

83554-67-0

Similarity

N/A

ID: 143852

N-methylcycloheptanamine hydrochloride

$$$$ Data

M. F.

C8H18ClN

Suppliers	Catalog Number
Sigma Aldrich	CBR00882

Database	Data ID
PubChem	53398892

M. W.

163.68822

CAS

Similarity

N/A

ID: 143853

1-(1,2,3,4-tetrahydroisoquinolin-2-yl)propan-2-amine

$$$$ Data

M. F.

C12H18N2

Suppliers	Catalog Number
Sigma Aldrich	CBR00576
ChemBridge	4001651

Database	Data ID
PubChem	16783144

M. W.

190.28472

CAS

54151-52-9

Similarity

N/A

ID: 143854

1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxylic acid

$$$$ Data

M. F.

C14H18O4

Suppliers	Catalog Number
Sigma Aldrich	CBR00187
ChemBridge	5573877
Enamine	EN300-86882

Database	Data ID
PubChem	776910

M. W.

250.29032

CAS

43129-41-5

Similarity

N/A

ID: 143855

1-[(3,4-dimethylphenyl)methyl]piperazin-2-one

$$$$ Data

M. F.

C13H18N2O

Suppliers	Catalog Number
Sigma Aldrich	CBR00546
ChemBridge	4004205

Database	Data ID
PubChem	28063347

M. W.

218.29482

CAS

938458-92-5

Similarity

N/A

ID: 143856

[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl](methyl)amine; oxalic acid

$$$$ Data

M. F.

C10H17N3O4

Suppliers	Catalog Number
Sigma Aldrich	CBR00705

Database	Data ID
PubChem	53398827

M. W.

243.25968

CAS

Similarity

N/A

ID: 143857

1-[(3,5-dimethylphenyl)methyl]piperazin-2-one hydrochloride

$$$$ Data

M. F.

C13H19ClN2O

Suppliers	Catalog Number
Sigma Aldrich	CBR00769

Database	Data ID
PubChem	47000636

M. W.

254.75576

CAS

Similarity

N/A

ID: 143858

1-(3,5-dimethylphenyl)piperazin-2-one

$$$$ Data

M. F.

C12H16N2O

Suppliers	Catalog Number
Sigma Aldrich	CBR00572
ChemBridge	4004190
A&J Pharmtech	AJA-O30538

Database	Data ID
PubChem	40428303

M. W.

204.26824

CAS

880361-76-2

Similarity

N/A

ID: 143859

1-(azetidin-3-yl)-2-methylpiperidine

$$$$ Data

M. F.

C9H18N2

Suppliers	Catalog Number
Sigma Aldrich	CBR00502
ChemBridge	4026698

Database	Data ID
PubChem	45791159

M. W.

154.25262

CAS

959239-81-7

Similarity

N/A

ID: 143860

1-(azetidin-3-yl)-3,5-dimethyl-1H-pyrazole dihydrochloride

$$$$ Data

M. F.

C8H15Cl2N3

Suppliers	Catalog Number
Sigma Aldrich	CBR00668
Enamine	EN300-75522

Database	Data ID
PubChem	47000791

M. W.

224.1308

CAS

Similarity

N/A

ID: 143861

1-(3-chloropropyl)-1H-pyrazole hydrochloride

$$$$ Data

M. F.

C6H10Cl2N2

Suppliers	Catalog Number
Sigma Aldrich	CBR00878

Database	Data ID
PubChem	53398889

M. W.

181.063

CAS

Similarity

N/A

ID: 143862

(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methanamine hydrochloride

$$$$ Data

M. F.

C6H10ClN3O

Suppliers	Catalog Number
Sigma Aldrich	CBR00843
Enamine	EN300-55407

Database	Data ID
PubChem	45792470

M. W.

175.6161

CAS

Similarity

N/A

ID: 143863

1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethan-1-amine; trifluoroacetic acid

$$$$ Data

M. F.

C8H12F3N3O3

Suppliers	Catalog Number
Sigma Aldrich	CBR00729

Database	Data ID
PubChem	53398843

M. W.

255.1943896

CAS

Similarity

N/A

ID: 143864

2-(chloromethyl)-6-methyl-1H-1,3-benzodiazole hydrochloride

$$$$ Data

M. F.

C9H10Cl2N2

Suppliers	Catalog Number
Sigma Aldrich	CBR00795

Database	Data ID
PubChem	53398863

M. W.

217.0951

CAS

Similarity

N/A

ID: 143865

2-(chloromethyl)-6-methylimidazo[1,2-a]pyridine hydrochloride

$$$$ Data

M. F.

C9H10Cl2N2

Suppliers	Catalog Number
Sigma Aldrich	CBR00776
Enamine	EN300-10842

Database	Data ID
PubChem	16248807

M. W.

217.0951

CAS

118000-40-1

Similarity

N/A

ID: 143866

2-(chloromethyl)-7-methylimidazo[1,2-a]pyridine hydrochloride

$$$$ Data

M. F.

C9H10Cl2N2

Suppliers	Catalog Number
Sigma Aldrich	CBR00770

Database	Data ID
PubChem	53398854

M. W.

217.0951

CAS

Similarity

N/A

ID: 143867

2-(ethylamino)pyrimidine-5-carboxylic acid

$$$$ Data

M. F.

C7H9N3O2

Suppliers	Catalog Number
Sigma Aldrich	CBR00496
ChemBridge	4025321

Database	Data ID
PubChem	17606181

M. W.

167.16526

CAS

946706-58-7

Similarity

N/A

ID: 143868

2-(ethanesulfonyl)ethan-1-amine hydrochloride

$$$$ Data

M. F.

C4H12ClNO2S

Suppliers	Catalog Number
Sigma Aldrich	CBR00923

Database	Data ID
PubChem	23061927

M. W.

173.66158

CAS

Similarity

N/A

ID: 143869

2-(propan-2-ylsulfanyl)aniline hydrochloride

$$$$ Data

M. F.

C9H14ClNS

Suppliers	Catalog Number
Sigma Aldrich	CBR00953

Database	Data ID
PubChem	45596039

M. W.

203.73216

CAS

Similarity

N/A

ID: 143870

2-methoxy-5H,6H,7H-cyclopenta[b]pyridine-3-carboxylic acid

$$$$ Data

M. F.

C10H11NO3

Suppliers	Catalog Number
Sigma Aldrich	CBR00592
ChemBridge	4013305

Database	Data ID
PubChem	28063899

M. W.

193.19924

CAS

959237-67-3

Similarity

N/A

ID: 143871

2-methyl-6H,7H-[1,3]oxazolo[5,4-d]pyrimidin-7-one

$$$$ Data

M. F.

C6H5N3O2

Suppliers	Catalog Number
Sigma Aldrich	CBR00396
ChemBridge	4025843

Database	Data ID
PubChem	281136

M. W.

151.1228

CAS

27433-55-2

Similarity

N/A

ID: 143872

2-methyl-1-(pyridin-3-yl)propan-1-amine dihydrochloride

$$$$ Data

M. F.

C9H16Cl2N2

Suppliers	Catalog Number
Sigma Aldrich	CBR00667

Database	Data ID
PubChem	47000787

M. W.

223.14274

CAS

Similarity

N/A

ID: 143873

2-methyl-1-propyl-1H-1,3-benzodiazol-5-amine dihydrochloride

$$$$ Data

M. F.

C11H17Cl2N3

Suppliers	Catalog Number
Sigma Aldrich	CBR00674

Database	Data ID
PubChem	53398812

M. W.

262.17878

CAS

Similarity

N/A

ID: 143874

2-[methyl(pyridin-2-ylmethyl)amino]acetic acid hydrate dihydrochloride

$$$$ Data

M. F.

C9H16Cl2N2O3

Suppliers	Catalog Number
Sigma Aldrich	CBR00611

Database	Data ID
PubChem	53398789

M. W.

271.14094

CAS

Similarity

N/A

ID: 143875

3-benzoylpiperidine

$$$$ Data

M. F.

C12H15NO

Suppliers	Catalog Number
Sigma Aldrich	CBR00493
ChemBridge	4005888

Database	Data ID
PubChem	6420671

M. W.

189.2536

CAS

4842-87-9

Similarity

N/A

ID: 143876

3-(thiophene-2-carbonyl)piperidine hydrochloride

$$$$ Data

M. F.

C10H14ClNOS

Suppliers	Catalog Number
Sigma Aldrich	CBR00781

Database	Data ID
PubChem	45595281

M. W.

231.74226

CAS

Similarity

N/A

ID: 143877

2-(piperidine-3-carbonyl)pyridine

$$$$ Data

M. F.

C11H14N2O

Suppliers	Catalog Number
Sigma Aldrich	CBR00404
ChemBridge	4005892

Database	Data ID
PubChem	45791042

M. W.

190.24166

CAS

1060817-03-9

Similarity

N/A

ID: 143878

piperidin-4-yl(thiophen-2-yl)methanol

$$$$ Data

M. F.

C10H15NOS

Suppliers	Catalog Number
Sigma Aldrich	CBR00588
ChemBridge	4005916

Database	Data ID
PubChem	24261114

M. W.

197.2972

CAS

938458-94-7

Similarity

N/A

ID: 143879

sodium 2-{2-azabicyclo[2.2.1]heptan-2-yl}acetate

$$$$ Data

M. F.

C8H12NNaO2

Suppliers	Catalog Number
Sigma Aldrich	CBR00706

Database	Data ID
PubChem	46840057

M. W.

177.17615

CAS

Similarity

N/A

ID: 143880

sodium {6-methyl-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}sulfanide

$$$$ Data

M. F.

C8H10N3NaS

Suppliers	Catalog Number
Sigma Aldrich	CBR00707

Database	Data ID
PubChem	53398828

M. W.

203.23987

CAS

Similarity

N/A

ID: 143881

(1r,3r,5r,7r)-spiro[adamantane-2,2'-oxirane]

$$$$ Data

M. F.

C11H16O

Suppliers	Catalog Number
Sigma Aldrich	CBR00518

Database	Data ID
PubChem	303804

M. W.

164.24414

CAS

24759-97-5

Similarity

N/A

ID: 143882

tert-butyl 3-[(methylamino)methyl]piperidine-1-carboxylate

$$$$ Data

M. F.

C12H24N2O2

Suppliers	Catalog Number
Sigma Aldrich	CBR00046
ChemBridge	4030663
Bide Pharmatech	BD162761

Database	Data ID
PubChem	24256606

M. W.

228.33116

CAS

1017356-25-0

Similarity

N/A

ID: 143883

1-(3-fluorophenyl)-1H-pyrazole-4-carbaldehyde

$$$$ Data

M. F.

C10H7FN2O

Suppliers	Catalog Number
Sigma Aldrich	CBR00528
ChemBridge	4003862
A&J Pharmtech	AJA-O14222

Database	Data ID
PubChem	40428278

M. W.

190.1737832

CAS

936940-82-8

Similarity

N/A

ID: 143884

[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanamine hydrochloride

$$$$ Data

M. F.

C8H15ClN2O

Suppliers	Catalog Number
Sigma Aldrich	CBR00833

Database	Data ID
PubChem	47000724

M. W.

190.6705

CAS

Similarity

N/A

ID: 143885

1-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]ethan-1-amine; trifluoroacetic acid

$$$$ Data

M. F.

C9H14F3N3O3

Suppliers	Catalog Number
Sigma Aldrich	CBR00730

Database	Data ID
PubChem	53398844

M. W.

269.2209696

CAS

Similarity

N/A

ID: 143886

methyl({[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]methyl})amine; trifluoroacetic aci...

$$$$ Data

M. F.

C9H14F3N3O3

Suppliers	Catalog Number
Sigma Aldrich	CBR00726

Database	Data ID
PubChem	53398840

M. W.

269.2209696

CAS

Similarity

N/A

ID: 143887

[3-(propan-2-yl)-1,2-oxazol-5-yl]methanamine hydrochloride

$$$$ Data

M. F.

C7H13ClN2O

Suppliers	Catalog Number
Sigma Aldrich	CBR00794
A&J Pharmtech	AJA-O30313

Database	Data ID
PubChem	53398862

M. W.

176.64392

CAS

543713-30-0

Similarity

N/A

ID: 143888

1-[(3-methoxyphenyl)methyl]piperazin-2-one hydrochloride

$$$$ Data

M. F.

C12H17ClN2O2

Suppliers	Catalog Number
Sigma Aldrich	CBR00768

Database	Data ID
PubChem	47000635

M. W.

256.72858

CAS

Similarity

N/A

ID: 143889

1-(3-methoxyphenyl)-2,2-dimethylpiperazine dihydrochloride

$$$$ Data

M. F.

C13H22Cl2N2O

Suppliers	Catalog Number
Sigma Aldrich	CBR00636

Database	Data ID
PubChem	47000693

M. W.

293.23258

CAS

Similarity

N/A

ID: 143890

1-[(3-methylphenyl)methyl]piperazin-2-one hydrochloride

$$$$ Data

M. F.

C12H17ClN2O

Suppliers	Catalog Number
Sigma Aldrich	CBR00767

Database	Data ID
PubChem	47000634

M. W.

240.72918

CAS

Similarity

N/A

ID: 143891

1-(3-methylphenyl)piperidin-4-amine; acetic acid

$$$$ Data

M. F.

C14H22N2O2

Suppliers	Catalog Number
Sigma Aldrich	CBR00734

Database	Data ID
PubChem	45595808

M. W.

250.33668

CAS

Similarity

N/A

ID: 143892

1-(3-methylpyridin-2-yl)propan-2-one

$$$$ Data

M. F.

C9H11NO

Suppliers	Catalog Number
Sigma Aldrich	CBR00268
ChemBridge	4002455

Database	Data ID
PubChem	16640571

M. W.

149.18974

CAS

39050-03-8

Similarity

N/A

ID: 143893

1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethan-1-amine; trifluoroacetic acid

$$$$ Data

M. F.

C12H12F3N3O3

Suppliers	Catalog Number
Sigma Aldrich	CBR00731

Database	Data ID
PubChem	53398845

M. W.

303.2371896

CAS

Similarity

N/A

ID: 143894

2-methyl-3-phenylcycloprop-2-ene-1-carboxylic acid

$$$$ Data

M. F.

C11H10O2

Suppliers	Catalog Number
Sigma Aldrich	CBR00020
ChemBridge	5326629

Database	Data ID
PubChem	5020077

M. W.

174.1959

CAS

18826-56-7

Similarity

N/A

ID: 143895

2-methyl-4-(methylamino)butan-2-ol

$$$$ Data

M. F.

C6H15NO

Suppliers	Catalog Number
Sigma Aldrich	CBR00149
ChemBridge	4021555

Database	Data ID
PubChem	28064324

M. W.

117.1894

CAS

866223-53-2

Similarity

N/A

ID: 143896

2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine dihydrochloride

$$$$ Data

M. F.

C8H14Cl2N2S

Suppliers	Catalog Number
Sigma Aldrich	CBR00647

Database	Data ID
PubChem	47000732

M. W.

241.18116

CAS

Similarity

N/A

ID: 143897

2-methyl-7-oxo-4H,7H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

$$$$ Data

M. F.

C8H7N3O3

Suppliers	Catalog Number
Sigma Aldrich	CBR00315
ChemBridge	4029479

Database	Data ID
PubChem	22468379

M. W.

193.15948

CAS

98555-13-6

Similarity

N/A

ID: 143898

2-(2-methylphenyl)benzoic acid

$$$$ Data

M. F.

C14H12O2

Suppliers	Catalog Number
Sigma Aldrich	CBR00346
ChemBridge	4400422

Database	Data ID
PubChem	6424523

M. W.

212.24388

CAS

7111-77-5

Similarity

N/A

ID: 143899

2-(morpholin-4-yl)propanehydrazide dihydrochloride

$$$$ Data

M. F.

C7H17Cl2N3O2

Suppliers	Catalog Number
Sigma Aldrich	CBR00660

Database	Data ID
PubChem	53398807

M. W.

246.13478

CAS

Similarity

N/A

ID: 143900

tert-butyl 4-(5-formylthiophen-2-yl)piperazine-1-carboxylate

$$$$ Data

M. F.

C14H20N2O3S

Suppliers	Catalog Number
Sigma Aldrich	CBR00547
ChemBridge	4301076

Database	Data ID
PubChem	28065298

M. W.

296.3852

CAS

623588-30-7

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