Chembase list of 866358 unique molecular structures

6-cyclopropyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

$$$$ Data

M. F.

C12H13N3O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-5808
Enamine	EN300-26765

Database	Data ID
PubChem	7174585

M. W.

231.25052

CAS

Similarity

N/A

ID: 123002

1,3-dimethyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

$$$$ Data

M. F.

C15H13N3O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-5809
Enamine	EN300-26244

Database	Data ID
PubChem	16227531

M. W.

267.28262

CAS

Similarity

N/A

ID: 123003

ethyl 8-chloro-4-hydroxyquinoline-3-carboxylate

$$$$ Data

M. F.

C12H10ClNO3

Suppliers	Catalog Number
InterBioScreen	BB_SC-5811
A&J Pharmtech	AJA-O38549

Database	Data ID
PubChem	97160

M. W.

251.6657

CAS

73987-37-8

Similarity

N/A

ID: 123004

ethyl 4,8-dichloroquinoline-3-carboxylate

$$$$ Data

M. F.

C12H9Cl2NO2

Suppliers	Catalog Number
Alfa Aesar	H59291
InterBioScreen	BB_SC-5812

Database	Data ID
PubChem	728974

M. W.

270.11136

CAS

56824-91-0

Similarity

N/A

ID: 123005

ethyl 4-chloro-8-fluoroquinoline-3-carboxylate

$$$$ Data

M. F.

C12H9ClFNO2

Suppliers	Catalog Number
Alfa Aesar	H50507
InterBioScreen	BB_SC-5813
Enamine	EN300-110477

Database	Data ID
PubChem	1479093

M. W.

253.6567632

CAS

56824-90-9

Similarity

N/A

ID: 123006

8-chloro-4-hydroxyquinoline-3-carboxylic acid

$$$$ Data

M. F.

C10H6ClNO3

Suppliers	Catalog Number
InterBioScreen	BB_SC-5814
A&J Pharmtech	AJA-O40270

Database	Data ID
PubChem	270753

M. W.

223.61254

CAS

35966-16-6

Similarity

N/A

ID: 123007

4-amino-8-chloroquinoline-3-carbohydrazide

$$$$ Data

M. F.

C10H9ClN4O

Suppliers	Catalog Number
InterBioScreen	BB_SC-5816

Database	Data ID
PubChem	24220878

M. W.

236.65766

CAS

Similarity

N/A

ID: 123008

2,1-benzothiazol-3-amine

$$$$ Data

M. F.

C7H6N2S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5820

Database	Data ID
PubChem	12293058

M. W.

150.20094

CAS

Similarity

N/A

ID: 123009

2-amino-N-[2-(dimethylamino)ethyl]benzamide

$$$$ Data

M. F.

C11H17N3O

Suppliers	Catalog Number
InterBioScreen	BB_SC-5827

Database	Data ID
PubChem	4040221

M. W.

207.27218

CAS

Similarity

N/A

ID: 123010

4-[2-(piperidin-1-yl)ethoxy]benzaldehyde

$$$$ Data

M. F.

C14H19NO2

Suppliers	Catalog Number
InterBioScreen	BB_SC-5829
A&J Pharmtech	AJA-O409

Database	Data ID
PubChem	11183892

M. W.

233.30616

CAS

26815-04-3

Similarity

N/A

ID: 123011

7-(4-methoxyphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid

$$$$ Data

M. F.

C13H12N4O3

Suppliers	Catalog Number
InterBioScreen	BB_SC-5832

Database	Data ID
PubChem	6016224

M. W.

272.25938

CAS

Similarity

N/A

ID: 123012

6-amino-1-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione

$$$$ Data

M. F.

C13H15N3O3

Suppliers	Catalog Number
InterBioScreen	BB_SC-5833

Database	Data ID
PubChem	19699215

M. W.

261.2765

CAS

Similarity

N/A

ID: 123013

3-amino-5-phenylcyclohex-2-en-1-one

$$$$ Data

M. F.

C12H13NO

Suppliers	Catalog Number
InterBioScreen	BB_SC-5836

Database	Data ID
PubChem	12210105

M. W.

187.23772

CAS

Similarity

N/A

ID: 123014

methyl 2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetate

$$$$ Data

M. F.

C11H11NO4

Suppliers	Catalog Number
Sigma Aldrich	550094
ChemBridge	4402415
InterBioScreen	BB_SC-5838

Database	Data ID
PubChem	4428325

M. W.

221.20934

CAS

73219-44-0

Similarity

N/A

ID: 123015

10H-5λ⁴,10-phenothiazin-5-one

$$$$ Data

M. F.

C12H9NOS

Suppliers	Catalog Number
InterBioScreen	BB_SC-5839

Database	Data ID
PubChem	71014

M. W.

215.27096

CAS

Similarity

N/A

ID: 123016

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

$$$$ Data

M. F.

C10H10N2O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-5840

Database	Data ID
PubChem	23298344

M. W.

190.1986

CAS

Similarity

N/A

ID: 123017

3-(1,3-benzothiazol-2-yl)benzoic acid

$$$$ Data

M. F.

C14H9NO2S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5843

Database	Data ID
PubChem	17047045

M. W.

255.29176

CAS

Similarity

N/A

ID: 123018

N-[3-amino-4-(morpholin-4-yl)phenyl]acetamide

$$$$ Data

M. F.

C12H17N3O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-5844

Database	Data ID
PubChem	42560587

M. W.

235.28228

CAS

Similarity

N/A

ID: 123019

4-{5-[(1E)-(hydroxyimino)methyl]furan-2-yl}benzoic acid

$$$$ Data

M. F.

C12H9NO4

Suppliers	Catalog Number
InterBioScreen	BB_SC-5845

Database	Data ID
PubChem	6890370

M. W.

231.20416

CAS

Similarity

N/A

ID: 123020

3-{5-[(1E)-(hydroxyimino)methyl]furan-2-yl}benzoic acid

$$$$ Data

M. F.

C12H9NO4

Suppliers	Catalog Number
InterBioScreen	BB_SC-5846

Database	Data ID
PubChem	9616961

M. W.

231.20416

CAS

Similarity

N/A

ID: 123021

(2-hydroxyphenyl)thiourea

$$$$ Data

M. F.

C7H8N2OS

Suppliers	Catalog Number
Alfa Aesar	L10519
InterBioScreen	BB_SC-5847

Database	Data ID
PubChem	3003569

M. W.

168.21622

CAS

1520-26-9

Similarity

N/A

ID: 123022

3-(3,4-dimethoxybenzenesulfonyl)propanoic acid

$$$$ Data

M. F.

C11H14O6S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5850
Enamine	EN300-83069

Database	Data ID
PubChem	24263753

M. W.

274.29026

CAS

Similarity

N/A

ID: 123023

ethyl 6-chloro-4-hydroxyquinoline-3-carboxylate

$$$$ Data

M. F.

C12H10ClNO3

Suppliers	Catalog Number
InterBioScreen	BB_SC-5852
Bide Pharmatech	BD34683
A&J Pharmtech	AJA-O39259

Database	Data ID
PubChem	718113

M. W.

251.6657

CAS

70271-77-1

Similarity

N/A

ID: 123024

ethyl 4,6-dichloroquinoline-3-carboxylate

$$$$ Data

M. F.

C12H9Cl2NO2

Suppliers	Catalog Number
Alfa Aesar	H59231
InterBioScreen	BB_SC-5853

Database	Data ID
PubChem	1479087

M. W.

270.11136

CAS

21168-41-2

Similarity

N/A

ID: 123025

6-chloro-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

$$$$ Data

M. F.

C12H10ClNO3

Suppliers	Catalog Number
InterBioScreen	BB_SC-5854
Enamine	EN300-36078

Database	Data ID
PubChem	2806356

M. W.

251.6657

CAS

Similarity

N/A

ID: 123026

6-chloro-4-hydroxyquinoline-3-carboxylic acid

$$$$ Data More

M. F.

C10H6ClNO3

Suppliers	Catalog Number
InterBioScreen	BB_SC-5855
Enamine	EN300-77745
Bide Pharmatech	BD12519

Database	Data ID
PubChem	254956

M. W.

223.61254

CAS

35973-14-9

Similarity

N/A

ID: 123027

ethyl 4-chloro-6-fluoroquinoline-3-carboxylate

$$$$ Data More

M. F.

C12H9ClFNO2

Suppliers	Catalog Number
Alfa Aesar	H50502
InterBioScreen	BB_SC-5857
Enamine	EN300-110488

Database	Data ID
PubChem	1479088

M. W.

253.6567632

CAS

77779-49-8

Similarity

N/A

ID: 123028

6-chloro-4-hydroxyquinoline-3-carbohydrazide

$$$$ Data

M. F.

C10H8ClN3O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-5858

Database	Data ID
PubChem	3725053

M. W.

237.64242

CAS

Similarity

N/A

ID: 123029

6-fluoro-4-hydroxyquinoline-3-carbohydrazide

$$$$ Data

M. F.

C10H8FN3O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-5859

Database	Data ID
PubChem	28284449

M. W.

221.1878232

CAS

Similarity

N/A

ID: 123030

1-(quinolin-5-yl)guanidine hydrochloride

$$$$ Data

M. F.

C10H11ClN4

Suppliers	Catalog Number
InterBioScreen	BB_SC-5861

Database	Data ID
PubChem	12253736

M. W.

222.67414

CAS

Similarity

N/A

ID: 123031

isothiocyanatomethane

$$$$ Data

M. F.

C2H3NS

Suppliers	Catalog Number
Sigma Aldrich	112771 W442600 67720 (more...)
Alfa Aesar	A11757
InterBioScreen	BB_SC-5863

Database	Data ID
Wikipedia	Methyl_isothiocyanate
PubChem	11167

M. W.

73.11692

CAS

556-61-6

Similarity

N/A

ID: 123032

1-(diphenylmethyl)-5-oxopyrrolidine-3-carboxylic acid

$$$$ Data

M. F.

C18H17NO3

Suppliers	Catalog Number
InterBioScreen	BB_SC-5865

Database	Data ID
PubChem	4533984

M. W.

295.33248

CAS

Similarity

N/A

ID: 123033

4,5-dichloro-1-propyl-1H-imidazole

$$$$ Data

M. F.

C6H8Cl2N2

Suppliers	Catalog Number
InterBioScreen	BB_SC-5866

Database	Data ID
PubChem	28284451

M. W.

179.04712

CAS

Similarity

N/A

ID: 123034

4,5-dichloro-1-(propan-2-yl)-1H-imidazole

$$$$ Data

M. F.

C6H8Cl2N2

Suppliers	Catalog Number
InterBioScreen	BB_SC-5867

Database	Data ID
PubChem	28284452

M. W.

179.04712

CAS

Similarity

N/A

ID: 123035

4,5-dichloro-1-[(4-nitrophenyl)methyl]-1H-imidazole

$$$$ Data

M. F.

C10H7Cl2N3O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-5869

Database	Data ID
PubChem	28284453

M. W.

272.08748

CAS

Similarity

N/A

ID: 123036

1-(2-bromoethyl)-4,5-dichloro-1H-imidazole

$$$$ Data

M. F.

C5H5BrCl2N2

Suppliers	Catalog Number
InterBioScreen	BB_SC-5870

Database	Data ID
PubChem	28284454

M. W.

243.9166

CAS

Similarity

N/A

ID: 123037

2-bromo-4,5-dichloro-1-methyl-1H-imidazole

$$$$ Data

M. F.

C4H3BrCl2N2

Suppliers	Catalog Number
InterBioScreen	BB_SC-5872

Database	Data ID
PubChem	28284455

M. W.

229.89002

CAS

Similarity

N/A

ID: 123038

2-bromo-4,5-dichloro-1-propyl-1H-imidazole

$$$$ Data

M. F.

C6H7BrCl2N2

Suppliers	Catalog Number
InterBioScreen	BB_SC-5873

Database	Data ID
PubChem	28284456

M. W.

257.94318

CAS

Similarity

N/A

ID: 123039

2-hydroxy-4-(3-methylbutanamido)benzoic acid

$$$$ Data

M. F.

C12H15NO4

Suppliers	Catalog Number
InterBioScreen	BB_SC-5875

Database	Data ID
PubChem	16775845

M. W.

237.2518

CAS

Similarity

N/A

ID: 123040

4-chloro-1,3-benzothiazole-2,6-diamine

$$$$ Data

M. F.

C7H6ClN3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5876

Database	Data ID
PubChem	19044910

M. W.

199.66064

CAS

Similarity

N/A

ID: 123041

5-amino-2-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenol

$$$$ Data

M. F.

C10H9N5OS

Suppliers	Catalog Number
InterBioScreen	BB_SC-5877

Database	Data ID
PubChem	42648469

M. W.

247.27636

CAS

Similarity

N/A

ID: 123042

1-(2,2-dimethoxyethyl)-1H-imidazole-2-carbaldehyde

$$$$ Data

M. F.

C8H12N2O3

Suppliers	Catalog Number
InterBioScreen	BB_SC-5878

Database	Data ID
PubChem	28284458

M. W.

184.19248

CAS

Similarity

N/A

ID: 123043

2-methoxy-4-methyl-1,3-thiazole-5-carboxylic acid

$$$$ Data

M. F.

C6H7NO3S

Suppliers	Catalog Number
ChemBridge	4029473
InterBioScreen	BB_SC-5879

Database	Data ID
PubChem	16494899

M. W.

173.18968

CAS

126909-38-4

Similarity

N/A

ID: 123044

1-benzyl-1H-indole-6-carboxylic acid

$$$$ Data

M. F.

C16H13NO2

Suppliers	Catalog Number
InterBioScreen	BB_SC-5883

Database	Data ID
PubChem	17947875

M. W.

251.27992

CAS

Similarity

N/A

ID: 123045

methyl 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetate

$$$$ Data

M. F.

C13H13NO3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5884

Database	Data ID
PubChem	28284461

M. W.

263.31222

CAS

Similarity

N/A

ID: 123046

6-(2-methoxyphenoxy)pyridin-3-amine

$$$$ Data

M. F.

C12H12N2O2

Suppliers	Catalog Number
ChemBridge	4008776
InterBioScreen	BB_SC-5888

Database	Data ID
PubChem	847104

M. W.

216.23588

CAS

305801-17-6

Similarity

N/A

ID: 123047

2-({6-phenylthieno[2,3-d]pyrimidin-4-yl}amino)acetic acid

$$$$ Data

M. F.

C14H11N3O2S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5889

Database	Data ID
PubChem	22693637

M. W.

285.32104

CAS

Similarity

N/A

ID: 123048

4-chloro-2-methyl-6-phenylthieno[2,3-d]pyrimidine

$$$$ Data

M. F.

C13H9ClN2S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5890
Enamine	EN300-04850

Database	Data ID
PubChem	704026

M. W.

260.74196

CAS

Similarity

N/A

ID: 123049

2,3,5-trimethyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylic acid

$$$$ Data

M. F.

C10H10N2O3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-5891

Database	Data ID
PubChem	3245705

M. W.

238.263

CAS

Similarity

N/A

ID: 123050

1-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-2-chloroethan-1-one

$$$$ Data

M. F.

C12H12ClNO2

Suppliers	Catalog Number
InterBioScreen	BB_SC-5894

Database	Data ID
PubChem	13621576

M. W.

237.68218

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