Chembase list of 866358 unique molecular structures

tert-butyl N-[(1-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]carbamate

$$$$ Data

M. F.

C12H18N2O3

Suppliers	Catalog Number
Matrix Scientific	068769

Database	Data ID
PubChem	57415850

M. W.

238.28292

CAS

1234616-68-2

Similarity

N/A

ID: 63452

(2R)-1-[(tert-butoxy)carbonyl]azetidine-2-carboxylic acid

$$$$ Data

M. F.

C9H15NO4

Suppliers	Catalog Number
Matrix Scientific	068770
TRC	B624500
Bide Pharmatech	BD117947

Database	Data ID
PubChem	7009128

M. W.

201.2197

CAS

51077-14-6

Similarity

N/A

ID: 63453

2,4-dichlorofuro[3,2-d]pyrimidine

$$$$ Data

M. F.

C6H2Cl2N2O

Suppliers	Catalog Number
Matrix Scientific	068771
TRC	D434555
Bide Pharmatech	BD158273

Database	Data ID
PubChem	45789968

M. W.

188.99888

CAS

956034-07-4

Similarity

N/A

ID: 63454

3-bromo-2-methyl-5-nitropyridine

$$$$ Data

M. F.

C6H5BrN2O2

Suppliers	Catalog Number
Matrix Scientific	068772
Bide Pharmatech	BD32392

Database	Data ID
PubChem	18458822

M. W.

217.0201

CAS

186593-42-0

Similarity

N/A

ID: 63455

5-bromo-6-methylpyridin-3-amine

$$$$ Data

M. F.

C6H7BrN2

Suppliers	Catalog Number
Matrix Scientific	068773
Bide Pharmatech	BD32393
A&J Pharmtech	AJA-O5411

Database	Data ID
PubChem	18458896

M. W.

187.03718

CAS

186593-43-1

Similarity

N/A

ID: 63456

tert-butyl 3-amino-3-methylpyrrolidine-1-carboxylate

$$$$ Data

M. F.

C10H20N2O2

Suppliers	Catalog Number
Matrix Scientific	068774

Database	Data ID
PubChem	57415917

M. W.

200.278

CAS

1158758-59-8

Similarity

N/A

ID: 63457

6-bromo-1H,2H,3H-pyrrolo[3,2-b]pyridin-2-one

$$$$ Data

M. F.

C7H5BrN2O

Suppliers	Catalog Number
Matrix Scientific	068775
Bide Pharmatech	BD217080

Database	Data ID
PubChem	46941641

M. W.

213.0314

CAS

1190319-62-0

Similarity

N/A

ID: 63458

3-aminopyridine-2-carbonitrile

$$$$ Data

M. F.

C6H5N3

Suppliers	Catalog Number
Matrix Scientific	068776
A&J Pharmtech	AJA-O33943

Database	Data ID
PubChem	577015

M. W.

119.124

CAS

42242-11-5

Similarity

N/A

ID: 63459

4-chloro-1H-pyrrolo[2,3-c]pyridine

$$$$ Data

M. F.

C7H5ClN2

Suppliers	Catalog Number
Matrix Scientific	068777
Bide Pharmatech	BD218441

Database	Data ID
PubChem	46856433

M. W.

152.581

CAS

1188313-15-6

Similarity

N/A

ID: 63460

6-bromophthalazine

$$$$ Data

M. F.

C8H5BrN2

Suppliers	Catalog Number
Matrix Scientific	068778
Bide Pharmatech	BD208236
A&J Pharmtech	AJA-O3749

Database	Data ID
PubChem	610436

M. W.

209.0427

CAS

19064-74-5

Similarity

N/A

ID: 63461

5-bromo-3-nitropyridine-2-carbaldehyde

$$$$ Data

M. F.

C6H3BrN2O3

Suppliers	Catalog Number
Matrix Scientific	068779

Database	Data ID
PubChem	57415869

M. W.

231.00362

CAS

1086838-46-1

Similarity

N/A

ID: 63462

2-chloro-5H-pyrrolo[3,2-d]pyrimidine

$$$$ Data

M. F.

C6H4ClN3

Suppliers	Catalog Number
Matrix Scientific	068780
Bide Pharmatech	BD159382

Database	Data ID
PubChem	45789986

M. W.

153.56906

CAS

1119280-66-8

Similarity

N/A

ID: 63463

1,2,3,6-tetrahydropyridine hydrochloride

$$$$ Data More

M. F.

C5H10ClN

Suppliers	Catalog Number
Sigma Aldrich	439266
Matrix Scientific	068781
Enamine	EN300-128207

Database	Data ID
PubChem	16212870

M. W.

119.5926

CAS

18513-79-6

Similarity

N/A

ID: 63464

tert-butyl 3-hydroxy-3-methylpiperidine-1-carboxylate

$$$$ Data

M. F.

C11H21NO3

Suppliers	Catalog Number
Matrix Scientific	068782

Database	Data ID
PubChem	57416953

M. W.

215.28934

CAS

1104083-27-3

Similarity

N/A

ID: 63465

ethyl 4-chloro-1H-pyrrolo[2,3-c]pyridine-3-carboxylate

$$$$ Data

M. F.

C10H9ClN2O2

Suppliers	Catalog Number
Matrix Scientific	068783

Database	Data ID
PubChem	66521677

M. W.

224.64366

CAS

1234616-12-6

Similarity

N/A

ID: 63466

3-methyl-1H-pyrazolo[4,3-b]pyridine

$$$$ Data

M. F.

C7H7N3

Suppliers	Catalog Number
Matrix Scientific	068784
Bide Pharmatech	BD204359

Database	Data ID
PubChem	10630524

M. W.

133.15058

CAS

194278-45-0

Similarity

N/A

ID: 63467

(5-bromo-3-fluoropyridin-2-yl)methanol

$$$$ Data

M. F.

C6H5BrFNO

Suppliers	Catalog Number
Matrix Scientific	068785

Database	Data ID
PubChem	57416937

M. W.

206.0124032

CAS

1206968-92-4

Similarity

N/A

ID: 63468

tert-butyl (3R,4R)-3-fluoro-4-hydroxypyrrolidine-1-carboxylate

$$$$ Data

M. F.

C9H16FNO3

Suppliers	Catalog Number
Matrix Scientific	068786

Database	Data ID
PubChem	57416936

M. W.

205.2266432

CAS

869481-93-6

Similarity

N/A

ID: 63469

4-(hydroxymethyl)piperidin-4-ol

$$$$ Data

M. F.

C6H13NO2

Suppliers	Catalog Number
ChemBridge	4036996
Matrix Scientific	068787

Database	Data ID
PubChem	22744473

M. W.

131.17292

CAS

89584-31-6

Similarity

N/A

ID: 63470

3-(4-bromophenyl)-1,2-oxazole

$$$$ Data

M. F.

C9H6BrNO

Suppliers	Catalog Number
Sigma Aldrich	697028
Matrix Scientific	068788

Database	Data ID
PubChem	12647752

M. W.

224.05404

CAS

13484-04-3

Similarity

N/A

ID: 63471

3-(bromomethyl)-3-methyloxetane

$$$$ Data

M. F.

C5H9BrO

Suppliers	Catalog Number
Matrix Scientific	068789
Bide Pharmatech	BD85346
A&J Pharmtech	AJA-O34273

Database	Data ID
PubChem	144860

M. W.

165.02836

CAS

78385-26-9

Similarity

N/A

ID: 63472

tert-butyl N-[(1s,3s)-3-(hydroxymethyl)cyclobutyl]carbamate

$$$$ Data

M. F.

C10H19NO3

Suppliers	Catalog Number
Matrix Scientific	068790

Database	Data ID
PubChem	22408683

M. W.

201.26276

CAS

142733-64-0

Similarity

N/A

ID: 63473

4-bromo-2,3-dihydro-1H-inden-1-one

$$$$ Data More

M. F.

C9H7BrO

Suppliers	Catalog Number
Sigma Aldrich	644366
Alfa Aesar	H56937
Matrix Scientific	068791

Database	Data ID
PubChem	98713

M. W.

211.05528

CAS

15115-60-3

Similarity

N/A

ID: 63474

6-methylpyridazine-3-carbonitrile

$$$$ Data

M. F.

C6H5N3

Suppliers	Catalog Number
ChemBridge	4036462
Matrix Scientific	068792

Database	Data ID
PubChem	13642941

M. W.

119.124

CAS

49840-90-6

Similarity

N/A

ID: 63475

6-bromoimidazo[1,2-b]pyridazine

$$$$ Data

M. F.

C6H4BrN3

Suppliers	Catalog Number
ChemBridge	4042328
Matrix Scientific	068793
Bide Pharmatech	BD223982

Database	Data ID
PubChem	56698917

M. W.

198.02006

CAS

1159977-65-7

Similarity

N/A

ID: 63476

4-chloro-2,3-dihydro-1H-inden-1-one

$$$$ Data More

M. F.

C9H7ClO

Suppliers	Catalog Number
Matrix Scientific	068794
Enamine	EN300-51356
Bide Pharmatech	BD32033

Database	Data ID
PubChem	11332681

M. W.

166.60428

CAS

15115-59-0

Similarity

N/A

ID: 63477

6-aminopyridine-3-carbonitrile

$$$$ Data More

M. F.

C6H5N3

Suppliers	Catalog Number
Sigma Aldrich	637475 54292 42357
Alfa Aesar	L19282
Matrix Scientific	068795

Database	Data ID
PubChem	818260

M. W.

119.124

CAS

4214-73-7

Similarity

N/A

ID: 63478

ethyl 5-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

$$$$ Data

M. F.

C10H9ClN2O2

Suppliers	Catalog Number
Matrix Scientific	068796

Database	Data ID
PubChem	49758919

M. W.

224.64366

CAS

1083181-28-5

Similarity

N/A

ID: 63479

tert-butyl 3-bromo-1H-pyrazolo[3,4-b]pyridine-1-carboxylate

$$$$ Data

M. F.

C11H12BrN3O2

Suppliers	Catalog Number
Matrix Scientific	068797

Database	Data ID
PubChem	57417003

M. W.

298.13588

CAS

1234616-46-6

Similarity

N/A

ID: 63480

2,4-dichloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidine

$$$$ Data

M. F.

C7H5Cl2N3

Suppliers	Catalog Number
Matrix Scientific	068798
Bide Pharmatech	BD159753

Database	Data ID
PubChem	56763813

M. W.

202.0407

CAS

1192711-71-9

Similarity

N/A

ID: 63481

2-bromo-7-chlorothieno[3,2-b]pyridine

$$$$ Data

M. F.

C7H3BrClNS

Suppliers	Catalog Number
Matrix Scientific	068799

Database	Data ID
PubChem	18382774

M. W.

248.52742

CAS

225385-05-7

Similarity

N/A

ID: 63482

7-chlorofuro[3,2-b]pyridine

$$$$ Data

M. F.

C7H4ClNO

Suppliers	Catalog Number
Matrix Scientific	068800

Database	Data ID
PubChem	10558822

M. W.

153.56576

CAS

182691-75-4

Similarity

N/A

ID: 63483

3,3-difluoro-8-azabicyclo[3.2.1]octane hydrochloride

$$$$ Data

M. F.

C7H12ClF2N

Suppliers	Catalog Number
Matrix Scientific	068801

Database	Data ID
PubChem	57416927

M. W.

183.6266864

CAS

1234616-11-5

Similarity

N/A

ID: 63484

4-fluoro-1H,2H,3H-pyrrolo[2,3-b]pyridin-2-one

$$$$ Data

M. F.

C7H5FN2O

Suppliers	Catalog Number
Matrix Scientific	068802

Database	Data ID
PubChem	57416920

M. W.

152.1258032

CAS

956460-93-8

Similarity

N/A

ID: 63485

tert-butyl 3-ethynylazetidine-1-carboxylate

$$$$ Data

M. F.

C10H15NO2

Suppliers	Catalog Number
Matrix Scientific	068803

Database	Data ID
PubChem	54349237

M. W.

181.2316

CAS

287193-01-5

Similarity

N/A

ID: 63486

4-ethynyloxane

$$$$ Data

M. F.

C7H10O

Suppliers	Catalog Number
Matrix Scientific	068804
A&J Pharmtech	AJA-O17580

Database	Data ID
PubChem	57213264

M. W.

110.1537

CAS

1202245-65-5

Similarity

N/A

ID: 63487

6-bromo-1,4-dichlorophthalazine

$$$$ Data

M. F.

C8H3BrCl2N2

Suppliers	Catalog Number
Matrix Scientific	068805

Database	Data ID
PubChem	22744454

M. W.

277.93282

CAS

240400-95-7

Similarity

N/A

ID: 63488

1,3-dimethyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

$$$$ Data More

M. F.

C11H19BN2O2

Suppliers	Catalog Number
Matrix Scientific	068806
Apollo Scientific	OR61002
Bide Pharmatech	BD212940

Database	Data ID
PubChem	4912748

M. W.

222.09176

CAS

847818-79-5

Similarity

N/A

ID: 63489

3-chloropyrazine-2-carbonitrile

$$$$ Data More

M. F.

C5H2ClN3

Suppliers	Catalog Number
Matrix Scientific	068807
Maybridge	KM04911
Apollo Scientific	OR3400

Database	Data ID
PubChem	292465

M. W.

139.54248

CAS

55557-52-3

Similarity

N/A

ID: 63490

tert-butyl 4-(2-ethoxy-2-oxoethyl)piperazine-1-carboxylate

$$$$ Data

M. F.

C13H24N2O4

Suppliers	Catalog Number
Matrix Scientific	068808
Bide Pharmatech	BD57155
A&J Pharmtech	AJA-O28566

Database	Data ID
PubChem	22321826

M. W.

272.34066

CAS

209667-59-4

Similarity

N/A

ID: 63491

tert-butyl 4-(4-fluorobenzoyl)piperidine-1-carboxylate

$$$$ Data More

M. F.

C17H22FNO3

Suppliers	Catalog Number
Matrix Scientific	068809
Maybridge	MO07381
Enamine	EN300-26814

Database	Data ID
PubChem	7016484

M. W.

307.3598832

CAS

160296-40-2

Similarity

N/A

ID: 63492

tert-butyl 1-oxo-2,9-diazaspiro[5.5]undecane-2-carboxylate

$$$$ Data

M. F.

C14H24N2O3

Suppliers	Catalog Number
Matrix Scientific	068810

Database	Data ID
PubChem	66521715

M. W.

268.35196

CAS

1221449-51-9

Similarity

N/A

ID: 63493

dimethyl({2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}methyl)amine

$$$$ Data

M. F.

C11H15N3

Suppliers	Catalog Number
Matrix Scientific	068811

Database	Data ID
PubChem	19916801

M. W.

189.2569

CAS

7546-48-7

Similarity

N/A

ID: 63494

benzyl 3-carbamoylpiperidine-1-carboxylate

$$$$ Data

M. F.

C14H18N2O3

Suppliers	Catalog Number
Matrix Scientific	068812

Database	Data ID
PubChem	18526450

M. W.

262.30432

CAS

569348-14-7

Similarity

N/A

ID: 63495

pyrrolidin-1-amine hydrochloride

$$$$ Data

M. F.

C4H11ClN2

Suppliers	Catalog Number
Sigma Aldrich	586447
Matrix Scientific	068813

Database	Data ID
PubChem	3017392

M. W.

122.59654

CAS

63234-71-9

Similarity

N/A

ID: 63496

1-(benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine

$$$$ Data

M. F.

C13H10N2O2S

Suppliers	Catalog Number
Matrix Scientific	068814
Bide Pharmatech	BD157930

Database	Data ID
PubChem	852078

M. W.

258.2957

CAS

143141-23-5

Similarity

N/A

ID: 63497

3-{2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}propanoic acid

$$$$ Data

M. F.

C11H12N2O2

Suppliers	Catalog Number
Matrix Scientific	068815

Database	Data ID
PubChem	49758956

M. W.

204.22518

CAS

18502-18-6

Similarity

N/A

ID: 63498

6-bromonaphthalen-2-amine

$$$$ Data More

M. F.

C10H8BrN

Suppliers	Catalog Number
Matrix Scientific	068816
Apollo Scientific	OR8620
Life Chemicals	F0701-0046

Database	Data ID
PubChem	348404

M. W.

222.08122

CAS

7499-66-3

Similarity

N/A

ID: 63499

6-bromonaphthalene-2-carboxylic acid

$$$$ Data More

M. F.

C11H7BrO2

Suppliers	Catalog Number
Alfa Aesar	L16093
Matrix Scientific	068817
Enamine	EN300-84719

Database	Data ID
PubChem	4549852

M. W.

251.07608

CAS

5773-80-8

Similarity

N/A

ID: 63500

tert-butyl 4-butylidenepiperidine-1-carboxylate

$$$$ Data

M. F.

C14H25NO2

Suppliers	Catalog Number
Matrix Scientific	068818

Database	Data ID
PubChem	22970158

M. W.

239.3538

CAS

1198287-32-9

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