Chembase list of 866358 unique molecular structures

ethyl 2-(1-methyl-1H-1,2,4-triazol-5-yl)-2-oxoacetate

$$$$ Data

M. F.

C7H9N3O3

Suppliers	Catalog Number
Matrix Scientific	070740

Database	Data ID
PubChem	66521763

M. W.

183.16466

CAS

1313739-06-8

Similarity

N/A

ID: 65402

ethyl 2-(1-butyl-1H-imidazol-2-yl)-2-oxoacetate

$$$$ Data

M. F.

C11H16N2O3

Suppliers	Catalog Number
Matrix Scientific	070741

Database	Data ID
PubChem	66521764

M. W.

224.25634

CAS

1313739-07-9

Similarity

N/A

ID: 65403

ethyl 2-(1,3-benzothiazol-2-yl)-2-oxoacetate

$$$$ Data

M. F.

C11H9NO3S

Suppliers	Catalog Number
Matrix Scientific	070742

Database	Data ID
PubChem	66521765

M. W.

235.25906

CAS

20474-55-9

Similarity

N/A

ID: 65404

oxetan-3-ylmethanol

$$$$ Data

M. F.

C4H8O2

Suppliers	Catalog Number
Matrix Scientific	070743
Bide Pharmatech	BD211452

Database	Data ID
PubChem	11521066

M. W.

88.10512

CAS

6246-06-6

Similarity

N/A

ID: 65405

(3-fluorooxetan-3-yl)methanol

$$$$ Data

M. F.

C4H7FO2

Suppliers	Catalog Number
Matrix Scientific	070744

Database	Data ID
PubChem	45480380

M. W.

106.0955832

CAS

865451-85-0

Similarity

N/A

ID: 65406

3-(bromomethyl)-3-fluorooxetane

$$$$ Data

M. F.

C4H6BrFO

Suppliers	Catalog Number
Matrix Scientific	070745

Database	Data ID
PubChem	22160800

M. W.

168.9922432

CAS

865451-86-1

Similarity

N/A

ID: 65407

tert-butyl 1,7-diazaspiro[3.5]nonane-1-carboxylate

$$$$ Data

M. F.

C12H22N2O2

Suppliers	Catalog Number
Matrix Scientific	070746

Database	Data ID
PubChem	56962151

M. W.

226.31528

CAS

1216936-29-6

Similarity

N/A

ID: 65408

methyl 2-amino-2-(oxetan-3-yl)acetate

$$$$ Data

M. F.

C6H11NO3

Suppliers	Catalog Number
Matrix Scientific	070747

Database	Data ID
PubChem	53484287

M. W.

145.15644

CAS

1009120-05-1

Similarity

N/A

ID: 65409

2-fluoro-3-iodopyrazine

$$$$ Data

M. F.

C4H2FIN2

Suppliers	Catalog Number
Matrix Scientific	070748

Database	Data ID
PubChem	15369693

M. W.

223.9749532

CAS

206278-26-4

Similarity

N/A

ID: 65410

tert-butyl 1-oxa-5-azaspiro[2.4]heptane-5-carboxylate

$$$$ Data

M. F.

C10H17NO3

Suppliers	Catalog Number
Matrix Scientific	070749

Database	Data ID
PubChem	42609244

M. W.

199.24688

CAS

301226-25-5

Similarity

N/A

ID: 65411

benzyl 1-oxa-5-azaspiro[2.3]hexane-5-carboxylate

$$$$ Data

M. F.

C12H13NO3

Suppliers	Catalog Number
Matrix Scientific	070750

Database	Data ID
PubChem	59469222

M. W.

219.23652

CAS

934664-22-9

Similarity

N/A

ID: 65412

3-(nitromethyl)oxetane

$$$$ Data

M. F.

C4H7NO3

Suppliers	Catalog Number
Matrix Scientific	070751
A&J Pharmtech	AJA-O13201

Database	Data ID
PubChem	57371206

M. W.

117.10328

CAS

1313739-08-0

Similarity

N/A

ID: 65413

tert-butyl 5-oxo-2-azaspiro[3.3]heptane-2-carboxylate

$$$$ Data

M. F.

C11H17NO3

Suppliers	Catalog Number
Matrix Scientific	070752

Database	Data ID
PubChem	56962216

M. W.

211.25758

CAS

1251020-88-8

Similarity

N/A

ID: 65414

1-(2-hydroxyethyl)cyclopentan-1-ol

$$$$ Data

M. F.

C7H14O2

Suppliers	Catalog Number
Matrix Scientific	070753

Database	Data ID
PubChem	14101999

M. W.

130.18486

CAS

73089-93-7

Similarity

N/A

ID: 65415

methyl 6-methoxypyridine-3-carboxylate

$$$$ Data More

M. F.

C8H9NO3

Suppliers	Catalog Number
Alfa Aesar	B20808
Matrix Scientific	070754
Apollo Scientific	OR15018

Database	Data ID
PubChem	586039

M. W.

167.16196

CAS

26218-80-4

Similarity

N/A

ID: 65416

2-bromo-3-phenylpropanoyl chloride

$$$$ Data

M. F.

C9H8BrClO

Suppliers	Catalog Number
Matrix Scientific	070755

Database	Data ID
PubChem	263031

M. W.

247.51622

CAS

42762-86-7

Similarity

N/A

ID: 65417

1-[(tert-butoxy)carbonyl]-5,5-difluoropiperidine-3-carboxylic acid

$$$$ Data

M. F.

C11H17F2NO4

Suppliers	Catalog Number
Matrix Scientific	070756

Database	Data ID
PubChem	66521743

M. W.

265.2537864

CAS

1255666-86-4

Similarity

N/A

ID: 65418

tert-butyl(3,6-dihydro-2H-pyran-4-yloxy)dimethylsilane

$$$$ Data

M. F.

C11H22O2Si

Suppliers	Catalog Number
Matrix Scientific	070757

Database	Data ID
PubChem	15941458

M. W.

214.37668

CAS

953390-79-9

Similarity

N/A

ID: 65419

3-bromo-1-[tris(propan-2-yl)silyl]-1H-pyrrole

$$$$ Data

M. F.

C13H24BrNSi

Suppliers	Catalog Number
Sigma Aldrich	709808
Matrix Scientific	070758
A&J Pharmtech	AJA-O4589

Database	Data ID
PubChem	2763302

M. W.

302.32586

CAS

87630-36-2

Similarity

N/A

ID: 65420

1-[tris(propan-2-yl)silyl]-1H-pyrrole

$$$$ Data

M. F.

C13H25NSi

Suppliers	Catalog Number
Sigma Aldrich	377945
Alfa Aesar	L13152
Matrix Scientific	070759

Database	Data ID
PubChem	145136

M. W.

223.4298

CAS

87630-35-1

Similarity

N/A

ID: 65421

1-(3,5-dichlorophenyl)ethan-1-one

$$$$ Data

M. F.

C8H6Cl2O

Suppliers	Catalog Number
Matrix Scientific	070761
Enamine	EN300-104555
Bide Pharmatech	BD10943

Database	Data ID
PubChem	2758058

M. W.

189.03864

CAS

14401-72-0

Similarity

N/A

ID: 65422

5-amino-1H-pyrazole-3-carbonitrile

$$$$ Data

M. F.

C4H4N4

Suppliers	Catalog Number
Matrix Scientific	070763
Key Organics	NF-0227
A&J Pharmtech	AJA-O18756

Database	Data ID
PubChem	21180574

M. W.

108.10136

CAS

125144-04-9

Similarity

N/A

ID: 65423

benzyl 4-(cyanomethylidene)piperidine-1-carboxylate

$$$$ Data

M. F.

C15H16N2O2

Suppliers	Catalog Number
Matrix Scientific	070764
Key Organics	NF-0215

Database	Data ID
PubChem	66545215

M. W.

256.29974

CAS

Similarity

N/A

ID: 65424

2,6-bis(trifluoromethyl)pyridine-4-carboxylic acid

$$$$ Data

M. F.

C8H3F6NO2

Suppliers	Catalog Number
Matrix Scientific	070765
Key Organics	11Z-0856
A&J Pharmtech	AJA-O38025

Database	Data ID
PubChem	30689135

M. W.

259.1053392

CAS

1092343-70-8

Similarity

N/A

ID: 65425

2-bromo-4-fluoro-5-hydroxybenzoic acid

$$$$ Data

M. F.

C7H4BrFO3

Suppliers	Catalog Number
Matrix Scientific	070766
Key Organics	LF-0096

Database	Data ID
PubChem	66545185

M. W.

235.0072632

CAS

Similarity

N/A

ID: 65426

7-bromo-6-hydroxy-5-methyl-2,3-dihydro-1H-isoindol-1-one

$$$$ Data

M. F.

C9H8BrNO2

Suppliers	Catalog Number
Matrix Scientific	070767
Key Organics	NF-0011

Database	Data ID
PubChem	66545212

M. W.

242.06932

CAS

Similarity

N/A

ID: 65427

(6-bromo-3-methoxy-2-methylphenyl)methanol

$$$$ Data

M. F.

C9H11BrO2

Suppliers	Catalog Number
Matrix Scientific	070768
Key Organics	AG-0055

Database	Data ID
PubChem	66545090

M. W.

231.08644

CAS

110451-91-7

Similarity

N/A

ID: 65428

5-bromo-N,N-diethyl-1,3,4-thiadiazol-2-amine

$$$$ Data

M. F.

C6H10BrN3S

Suppliers	Catalog Number
Matrix Scientific	070769
Key Organics	NF-0055

Database	Data ID
PubChem	64624707

M. W.

236.1327

CAS

Similarity

N/A

ID: 65429

2-bromo-5-(pyrrolidin-1-yl)-1,3,4-thiadiazole

$$$$ Data

M. F.

C6H8BrN3S

Suppliers	Catalog Number
Matrix Scientific	070770
Key Organics	AG-0002

Database	Data ID
PubChem	64624706

M. W.

234.11682

CAS

Similarity

N/A

ID: 65430

(2S,6R)-4-(5-bromo-1,3,4-thiadiazol-2-yl)-2,6-dimethylmorpholine

$$$$ Data

M. F.

C8H12BrN3OS

Suppliers	Catalog Number
Matrix Scientific	070771
Key Organics	NF-0054

Database	Data ID
PubChem	66545214

M. W.

278.16938

CAS

Similarity

N/A

ID: 65431

1-(5-bromo-1,3,4-thiadiazol-2-yl)-1,4-diazepane

$$$$ Data

M. F.

C7H11BrN4S

Suppliers	Catalog Number
Matrix Scientific	070772
Key Organics	AG-0044

Database	Data ID
PubChem	66545099

M. W.

263.15804

CAS

Similarity

N/A

ID: 65432

4-(5-bromo-1,3,4-thiadiazol-2-yl)morpholine

$$$$ Data

M. F.

C6H8BrN3OS

Suppliers	Catalog Number
Matrix Scientific	070773
Key Organics	AG-0001
Bide Pharmatech	BD213109

Database	Data ID
PubChem	56965720

M. W.

250.11622

CAS

1341405-19-3

Similarity

N/A

ID: 65433

4-[(5-bromo-1,3,4-thiadiazol-2-yl)oxy]benzonitrile

$$$$ Data

M. F.

C9H4BrN3OS

Suppliers	Catalog Number
Matrix Scientific	070774
Key Organics	AG-0063

Database	Data ID
PubChem	64624880

M. W.

282.11656

CAS

Similarity

N/A

ID: 65434

1-(5-bromo-1,3,4-thiadiazol-2-yl)piperazine

$$$$ Data

M. F.

C6H9BrN4S

Suppliers	Catalog Number
Matrix Scientific	070775
Key Organics	AG-0032

Database	Data ID
PubChem	64622247

M. W.

249.13146

CAS

Similarity

N/A

ID: 65435

1-(5-bromo-1,3,4-thiadiazol-2-yl)piperidine

$$$$ Data

M. F.

C7H10BrN3S

Suppliers	Catalog Number
Matrix Scientific	070776
Key Organics	NF-0036

Database	Data ID
PubChem	64625288

M. W.

248.1434

CAS

Similarity

N/A

ID: 65436

2-(chloromethyl)-4-(trifluoromethyl)pyridine

$$$$ Data

M. F.

C7H5ClF3N

Suppliers	Catalog Number
Matrix Scientific	070777
Key Organics	AG-0707
A&J Pharmtech	AJA-O18565

Database	Data ID
PubChem	18361870

M. W.

195.5695096

CAS

215867-87-1

Similarity

N/A

ID: 65437

1-bromo-4-[(1E)-3-chloroprop-1-en-1-yl]benzene

$$$$ Data

M. F.

C9H8BrCl

Suppliers	Catalog Number
Matrix Scientific	070778
Key Organics	AG-0700

Database	Data ID
PubChem	13683458

M. W.

231.51682

CAS

104293-07-4

Similarity

N/A

ID: 65438

2-chloro-3-(trifluoromethyl)quinoxaline

$$$$ Data More

M. F.

C9H4ClF3N2

Suppliers	Catalog Number
Alfa Aesar	H50549
Matrix Scientific	070779
Key Organics	10J-003

Database	Data ID
PubChem	736421

M. W.

232.5896696

CAS

254732-51-9

Similarity

N/A

ID: 65439

2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1,2-oxazolidin-4-ol

$$$$ Data

M. F.

C9H8ClF3N2O2

Suppliers	Catalog Number
Matrix Scientific	070780
Key Organics	EE-0700

Database	Data ID
PubChem	66545136

M. W.

268.6202296

CAS

Similarity

N/A

ID: 65440

1-(2,6-dichloropyridin-3-yl)ethan-1-one

$$$$ Data More

M. F.

C7H5Cl2NO

Suppliers	Catalog Number
Matrix Scientific	070781
Key Organics	AG-0712
Bide Pharmatech	BD167954

Database	Data ID
PubChem	53402463

M. W.

190.0267

CAS

412018-50-9

Similarity

N/A

ID: 65441

4,4-dimethyl-1,2-oxazolidin-3-one

$$$$ Data

M. F.

C5H9NO2

Suppliers	Catalog Number
Matrix Scientific	070782
Key Organics	AG-0019

Database	Data ID
PubChem	642151

M. W.

115.13046

CAS

81778-07-6

Similarity

N/A

ID: 65442

ethyl 2,6-bis(trifluoromethyl)pyridine-4-carboxylate

$$$$ Data

M. F.

C10H7F6NO2

Suppliers	Catalog Number
Matrix Scientific	070783
Key Organics	11Z-0842

Database	Data ID
PubChem	49757558

M. W.

287.1584992

CAS

Similarity

N/A

ID: 65443

ethyl 4-chloro-6-methoxy-5-nitropyridine-3-carboxylate

$$$$ Data

M. F.

C9H9ClN2O5

Suppliers	Catalog Number
Matrix Scientific	070784
Key Organics	NF-0734

Database	Data ID
PubChem	59225794

M. W.

260.63116

CAS

Similarity

N/A

ID: 65444

ethyl (2E)-3-[1-methyl-4-(4-methylbenzoyl)-1H-pyrrol-2-yl]prop-2-enoate

$$$$ Data

M. F.

C18H19NO3

Suppliers	Catalog Number
Matrix Scientific	070785
Key Organics	AG-0203

Database	Data ID
PubChem	11748500

M. W.

297.34836

CAS

428872-08-6

Similarity

N/A

ID: 65445

ethyl 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate

$$$$ Data

M. F.

C9H9N3O2

Suppliers	Catalog Number
Matrix Scientific	070786
Key Organics	AG-0708

Database	Data ID
PubChem	66545092

M. W.

191.18666

CAS

915142-91-5

Similarity

N/A

ID: 65446

4-(4-ethyl-1H-1,2,3-triazol-1-yl)aniline

$$$$ Data

M. F.

C10H12N4

Suppliers	Catalog Number
Matrix Scientific	070787
Key Organics	NF-0046

Database	Data ID
PubChem	66545213

M. W.

188.22908

CAS

Similarity

N/A

ID: 65447

ethyl 3-(trifluoromethyl)quinoxaline-2-carboxylate

$$$$ Data

M. F.

C12H9F3N2O2

Suppliers	Catalog Number
Matrix Scientific	070788
Key Organics	AG-0704

Database	Data ID
PubChem	15365257

M. W.

270.2072696

CAS

3885-40-3

Similarity

N/A

ID: 65448

2-fluoro-4-iodopyridine-3-carbaldehyde

$$$$ Data More

M. F.

C6H3FINO

Suppliers	Catalog Number
Matrix Scientific	070789
Key Organics	NF-0731
Apollo Scientific	PC8525

Database	Data ID
PubChem	9992328

M. W.

250.9969932

CAS

153034-82-3

Similarity

N/A

ID: 65449

6-hydroxy-7-methyl-2,3-dihydro-1H-isoindol-1-one

$$$$ Data

M. F.

C9H9NO2

Suppliers	Catalog Number
Matrix Scientific	070790
Key Organics	MF-0066

Database	Data ID
PubChem	66545208

M. W.

163.17326

CAS

Similarity

N/A

ID: 65450

6-methoxy-5-methyl-2,3-dihydro-1H-isoindol-1-one

$$$$ Data

M. F.

C10H11NO2

Suppliers	Catalog Number
Matrix Scientific	070791
Key Organics	LF-0088

Database	Data ID
PubChem	66545183

M. W.

177.19984

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