Chembase list of 866358 unique molecular structures

N-methyl-N-(pyridin-3-ylmethyl)acetamide

$$$$ Data

M. F.

C9H12N2O

Suppliers	Catalog Number
Maybridge	TL00367
Apollo Scientific	OR30154

Database	Data ID
PubChem	737345

M. W.

164.20438

CAS

69966-50-3

Similarity

N/A

ID: 86952

3-methylpentanedioic acid

$$$$ Data More

M. F.

C6H10O4

Suppliers	Catalog Number
Sigma Aldrich	M47604 66990
MP Biomedicals	02155556 05203490
Alfa Aesar	B24737

Database	Data ID
PubChem	12284

M. W.

146.1412

CAS

626-51-7

Similarity

N/A

ID: 86953

4-methyloxane-2,6-dione

$$$$ Data More

M. F.

C6H8O3

Suppliers	Catalog Number
Sigma Aldrich	M47809
MP Biomedicals	05203491
Alfa Aesar	B24702

Database	Data ID
PubChem	77828

M. W.

128.12592

CAS

4166-53-4

Similarity

N/A

ID: 86954

3,4-dichlorobenzamide

$$$$ Data

M. F.

C7H5Cl2NO

Suppliers	Catalog Number
Alfa Aesar	A13878
Maybridge	TL00384
Apollo Scientific	OR30158

Database	Data ID
PubChem	137671

M. W.

190.0267

CAS

2670-38-4

Similarity

N/A

ID: 86955

5-chloro-6-nitro-2,3-dihydro-1H-isoindole-1,3-dione

$$$$ Data More

M. F.

C8H3ClN2O4

Suppliers	Catalog Number
Alfa Aesar	L11308
Maybridge	TL00400
Apollo Scientific	OR30160

Database	Data ID
PubChem	2801129

M. W.

226.57342

CAS

6015-57-2

Similarity

N/A

ID: 86956

2-chloro-6-nitrobenzonitrile

$$$$ Data More

M. F.

C7H3ClN2O2

Suppliers	Catalog Number
Sigma Aldrich	142255
Alfa Aesar	A12703
Apollo Scientific	OR30161

Database	Data ID
PubChem	81053

M. W.

182.56392

CAS

6575-07-1

Similarity

N/A

ID: 86957

(4-isothiocyanatobutyl)benzene

$$$$ Data

M. F.

C11H13NS

Suppliers	Catalog Number
MP Biomedicals	02193778
Maybridge	TL00409
Apollo Scientific	OR30162

Database	Data ID
PubChem	124881

M. W.

191.29262

CAS

61499-10-3

Similarity

N/A

ID: 86958

2-isothiocyanato-2-methylbutane

$$$$ Data

M. F.

C6H11NS

Suppliers	Catalog Number
Apollo Scientific	OR30169

Database	Data ID
PubChem	11105389

M. W.

129.22324

CAS

597-97-7

Similarity

N/A

ID: 86959

(3,4,5-trimethoxyphenyl)boronic acid

$$$$ Data More

M. F.

C9H13BO5

Suppliers	Catalog Number
Sigma Aldrich	651648
Alfa Aesar	L15191
Apollo Scientific	OR3017

Database	Data ID
PubChem	2734390

M. W.

212.00752

CAS

144432-85-9

Similarity

N/A

ID: 86960

(4-methylphenyl)methanethiol

$$$$ Data

M. F.

C8H10S

Suppliers	Catalog Number
Alfa Aesar	A10467 44466
Maybridge	TL00457
Apollo Scientific	OR30170

Database	Data ID
PubChem	78252

M. W.

138.23

CAS

4498-99-1

Similarity

N/A

ID: 86961

1,2-bis(furan-2-yl)-2-hydroxyethan-1-one

$$$$ Data More

M. F.

C10H8O4

Suppliers	Catalog Number
Sigma Aldrich	192651
Alfa Aesar	A15272
Apollo Scientific	OR30172

Database	Data ID
Wikipedia	Furoin
PubChem	11100

M. W.

192.16812

CAS

552-86-3

Similarity

N/A

ID: 86962

N-(2-acetamidoethyl)acetamide

$$$$ Data

M. F.

C6H12N2O2

Suppliers	Catalog Number
MP Biomedicals	05221922
Alfa Aesar	A11866
Apollo Scientific	OR30174

Database	Data ID
PubChem	70097

M. W.

144.17168

CAS

871-78-3

Similarity

N/A

ID: 86963

(2-methylphenyl)methanethiol

$$$$ Data

M. F.

C8H10S

Suppliers	Catalog Number
Alfa Aesar	A15816
Maybridge	TL00468
Apollo Scientific	OR30176

Database	Data ID
PubChem	288028

M. W.

138.23

CAS

7341-24-4

Similarity

N/A

ID: 86964

(3-methylphenyl)methanethiol

$$$$ Data

M. F.

C8H10S

Suppliers	Catalog Number
Alfa Aesar	L12043
Maybridge	TL00469
Apollo Scientific	OR30177

Database	Data ID
PubChem	2801207

M. W.

138.23

CAS

25697-56-7

Similarity

N/A

ID: 86965

(4-tert-butylphenyl)methanethiol

$$$$ Data

M. F.

C11H16S

Suppliers	Catalog Number
Sigma Aldrich	548715
Apollo Scientific	OR30178

Database	Data ID
PubChem	2757252

M. W.

180.30974

CAS

49543-63-7

Similarity

N/A

ID: 86966

1,3-dihexylthiourea

$$$$ Data

M. F.

C13H28N2S

Suppliers	Catalog Number
Maybridge	TL00478
Apollo Scientific	OR30179

Database	Data ID
PubChem	2801208

M. W.

244.43982

CAS

21071-28-3

Similarity

N/A

ID: 86967

propylurea

$$$$ Data More

M. F.

C4H10N2O

Suppliers	Catalog Number
MP Biomedicals	05217995
Alfa Aesar	A10160
Maybridge	TL00479

Database	Data ID
PubChem	12303

M. W.

102.135

CAS

627-06-5

Similarity

N/A

ID: 86968

1,3-dipropylthiourea

$$$$ Data

M. F.

C7H16N2S

Suppliers	Catalog Number
MP Biomedicals	05223739
Alfa Aesar	A17217
Apollo Scientific	OR30181

Database	Data ID
PubChem	2801214

M. W.

160.28034

CAS

26536-60-7

Similarity

N/A

ID: 86969

1-phenylnonan-1-one

$$$$ Data

M. F.

C15H22O

Suppliers	Catalog Number
MP Biomedicals	05204935
Alfa Aesar	A12238
Apollo Scientific	OR30182

Database	Data ID
PubChem	80108

M. W.

218.33458

CAS

6008-36-2

Similarity

N/A

ID: 86970

isothiocyanatocyclopentane

$$$$ Data More

M. F.

C6H9NS

Suppliers	Catalog Number
Alfa Aesar	A11745
Maybridge	TL00485
Apollo Scientific	OR30183

Database	Data ID
PubChem	141792

M. W.

127.20736

CAS

33522-03-1

Similarity

N/A

ID: 86971

1,3-di-tert-butylthiourea

$$$$ Data

M. F.

C9H20N2S

Suppliers	Catalog Number
Alfa Aesar	A12469
Maybridge	TL00487
Apollo Scientific	OR30185

Database	Data ID
PubChem	2801221

M. W.

188.3335

CAS

4041-95-6

Similarity

N/A

ID: 86972

1-chloro-3-isothiocyanatobenzene

$$$$ Data More

M. F.

C7H4ClNS

Suppliers	Catalog Number
Sigma Aldrich	253766
Alfa Aesar	A11999
Maybridge	TL00490

Database	Data ID
PubChem	75449

M. W.

169.63136

CAS

2392-68-9

Similarity

N/A

ID: 86973

1-isothiocyanato-3,5-dimethylbenzene

$$$$ Data More

M. F.

C9H9NS

Suppliers	Catalog Number
MP Biomedicals	05203371
Alfa Aesar	A11302
Maybridge	TL00501

Database	Data ID
PubChem	142406

M. W.

163.23946

CAS

40046-30-8

Similarity

N/A

ID: 86974

1-isothiocyanato-3,5-dimethoxybenzene

$$$$ Data

M. F.

C9H9NO2S

Suppliers	Catalog Number
Alfa Aesar	A15728
Maybridge	TL00503
Apollo Scientific	OR30188

Database	Data ID
PubChem	145422

M. W.

195.23826

CAS

104968-58-3

Similarity

N/A

ID: 86975

N-[4-(prop-2-en-1-yloxy)phenyl]acetamide

$$$$ Data

M. F.

C11H13NO2

Suppliers	Catalog Number
Apollo Scientific	OR30189

Database	Data ID
PubChem	23103

M. W.

191.22642

CAS

6622-73-7

Similarity

N/A

ID: 86976

4-methoxybenzene-1-sulfonyl chloride

$$$$ Data More

M. F.

C7H7ClO3S

Suppliers	Catalog Number
Sigma Aldrich	M10204 64809
Alfa Aesar	A13788
Apollo Scientific	OR30190

Database	Data ID
PubChem	7401

M. W.

206.64668

CAS

98-68-0

Similarity

N/A

ID: 86977

4-(pyrrolidin-1-yl)pent-3-en-2-one

$$$$ Data

M. F.

C9H15NO

Suppliers	Catalog Number
Apollo Scientific	OR30193

Database	Data ID
PubChem	5380557

M. W.

153.2215

CAS

3389-57-9

Similarity

N/A

ID: 86978

1-isothiocyanatooctane

$$$$ Data

M. F.

C9H17NS

Suppliers	Catalog Number
Alfa Aesar	A14501
Maybridge	TL00527
Apollo Scientific	OR30194

Database	Data ID
PubChem	78161

M. W.

171.30298

CAS

4430-45-9

Similarity

N/A

ID: 86979

2-bromobenzene-1-sulfonamide

$$$$ Data More

M. F.

C6H6BrNO2S

Suppliers	Catalog Number
Sigma Aldrich	644609
Alfa Aesar	L17578
Maybridge	TL00539

Database	Data ID
PubChem	2801263

M. W.

236.08634

CAS

92748-09-9

Similarity

N/A

ID: 86980

1-isothiocyanato-4-methylbenzene

$$$$ Data

M. F.

C8H7NS

Suppliers	Catalog Number
Apollo Scientific	OR30196
InterBioScreen	BB_SC-6558

Database	Data ID
PubChem	12149

M. W.

149.21288

CAS

622-59-3

Similarity

N/A

ID: 86981

1-chloro-4-isothiocyanatobenzene

$$$$ Data More

M. F.

C7H4ClNS

Suppliers	Catalog Number
Sigma Aldrich	253782 26001
Alfa Aesar	A12693
Apollo Scientific	OR30198

Database	Data ID
PubChem	16480

M. W.

169.63136

CAS

2131-55-7

Similarity

N/A

ID: 86982

2-[3-(4-chlorophenyl)-1H-pyrazol-1-yl]acetonitrile

$$$$ Data

M. F.

C11H8ClN3

Suppliers	Catalog Number
Apollo Scientific	OR3020

Database	Data ID
PubChem	2735802

M. W.

217.65432

CAS

Similarity

N/A

ID: 86983

4-methyl-2-nitrobenzonitrile

$$$$ Data More

M. F.

C8H6N2O2

Suppliers	Catalog Number
Sigma Aldrich	N1880 214299
Alfa Aesar	A12414
Maybridge	TL00550

Database	Data ID
PubChem	96235

M. W.

162.14544

CAS

26830-95-5

Similarity

N/A

ID: 86984

ethanimidamide hydrochloride

$$$$ Data More

M. F.

C2H7ClN2

Suppliers	Catalog Number
Sigma Aldrich	159158 00180
MP Biomedicals	05211433
Alfa Aesar	A16091

Database	Data ID
PubChem	67170

M. W.

94.54338

CAS

124-42-5

Similarity

N/A

ID: 86985

2-(4-bromophenyl)-2-oxoethyl acetate

$$$$ Data

M. F.

C10H9BrO3

Suppliers	Catalog Number
Maybridge	TL00561
Apollo Scientific	OR30205

Database	Data ID
PubChem	343879

M. W.

257.08066

CAS

7500-37-0

Similarity

N/A

ID: 86986

1-bromo-3-ethylbenzene

$$$$ Data More

M. F.

C8H9Br

Suppliers	Catalog Number
Alfa Aesar	A12258
Maybridge	TL00571
Apollo Scientific	OR30209

Database	Data ID
PubChem	123170

M. W.

185.06106

CAS

2725-82-8

Similarity

N/A

ID: 86987

3-ethylbenzonitrile

$$$$ Data

M. F.

C9H9N

Suppliers	Catalog Number
Maybridge	TL00572
Apollo Scientific	OR30210
Bide Pharmatech	BD11684

Database	Data ID
PubChem	96692

M. W.

131.17446

CAS

34136-57-7

Similarity

N/A

ID: 86988

1,3-dimethyl 2-[(4-bromophenyl)methyl]propanedioate

$$$$ Data

M. F.

C12H13BrO4

Suppliers	Catalog Number
Apollo Scientific	OR30212

Database	Data ID
PubChem	2801290

M. W.

301.13322

CAS

Similarity

N/A

ID: 86989

methyl 5-chloro-2-methoxybenzoate

$$$$ Data More

M. F.

C9H9ClO3

Suppliers	Catalog Number
Sigma Aldrich	161446
Alfa Aesar	A10787
Apollo Scientific	OR30213

Database	Data ID
PubChem	118574

M. W.

200.61896

CAS

33924-48-0

Similarity

N/A

ID: 86990

ethyl 2,3-dibromo-3-phenylpropanoate

$$$$ Data

M. F.

C11H12Br2O2

Suppliers	Catalog Number
Apollo Scientific	OR30214

Database	Data ID
PubChem	225735

M. W.

336.01978

CAS

5464-70-0

Similarity

N/A

ID: 86991

(2,4-dimethylphenyl)(phenyl)methanone

$$$$ Data

M. F.

C15H14O

Suppliers	Catalog Number
MP Biomedicals	05220865
Apollo Scientific	OR30216

Database	Data ID
PubChem	70831

M. W.

210.27106

CAS

1140-14-3

Similarity

N/A

ID: 86992

1,4-diethyl 2-propanoylbutanedioate

$$$$ Data

M. F.

C11H18O5

Suppliers	Catalog Number
Apollo Scientific	OR30217

Database	Data ID
PubChem	2801304

M. W.

230.25762

CAS

Similarity

N/A

ID: 86993

3-(thiophen-2-yl)-1H-pyrazol-5-amine

$$$$ Data More

M. F.

C7H7N3S

Suppliers	Catalog Number
Sigma Aldrich	586269
Alfa Aesar	L06752
Maybridge	KM00087

Database	Data ID
PubChem	523184

M. W.

165.21558

CAS

96799-03-0

Similarity

N/A

ID: 86994

4-chloro-1-(2,4-dimethoxyphenyl)butan-1-one

$$$$ Data

M. F.

C12H15ClO3

Suppliers	Catalog Number
Maybridge	TL00609
Apollo Scientific	OR30220

Database	Data ID
PubChem	98739

M. W.

242.6987

CAS

80269-97-2

Similarity

N/A

ID: 86995

N-(2-nitrophenyl)acetamide

$$$$ Data More

M. F.

C8H8N2O3

Suppliers	Catalog Number
MP Biomedicals	05209410
Alfa Aesar	A16677
Apollo Scientific	OR30221

Database	Data ID
PubChem	11090

M. W.

180.16072

CAS

552-32-9

Similarity

N/A

ID: 86996

methyl N-(3,5-dichlorophenyl)carbamate

$$$$ Data

M. F.

C8H7Cl2NO2

Suppliers	Catalog Number
Alfa Aesar	A18237
Maybridge	TL00611
Apollo Scientific	OR30222

Database	Data ID
PubChem	32842

M. W.

220.05268

CAS

25217-43-0

Similarity

N/A

ID: 86997

2,5-dichlorobenzamide

$$$$ Data

M. F.

C7H5Cl2NO

Suppliers	Catalog Number
Alfa Aesar	B25097
Apollo Scientific	OR30223

Database	Data ID
PubChem	22290

M. W.

190.0267

CAS

5980-26-7

Similarity

N/A

ID: 86998

5-bromo-1H-indene

$$$$ Data

M. F.

C9H7Br

Suppliers	Catalog Number
Apollo Scientific	OR30225

Database	Data ID
PubChem	2747571

M. W.

195.05588

CAS

75476-78-7

Similarity

N/A

ID: 86999

3-chloro-1-(2,5-dimethoxyphenyl)propan-1-one

$$$$ Data

M. F.

C11H13ClO3

Suppliers	Catalog Number
Apollo Scientific	OR30226

Database	Data ID
PubChem	3517337

M. W.

228.67212

CAS

50786-60-2

Similarity

N/A

ID: 87000

1-isothiocyanato-2-methoxybenzene

$$$$ Data More

M. F.

C8H7NOS

Suppliers	Catalog Number
Sigma Aldrich	253707
MP Biomedicals	05203421
Alfa Aesar	L11799

Database	Data ID
PubChem	520599

M. W.

165.21228

CAS

3288-04-8

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