Chembase list of 866358 unique molecular structures

2-chloro-N-(1H-1,2,4-triazol-3-yl)acetamide

$$$$ Data

M. F.

C4H5ClN4O

Suppliers	Catalog Number
Matrix Scientific	018486

Database	Data ID
PubChem	282322

M. W.

160.5617

CAS

Similarity

N/A

ID: 16502

4-amino-4-methylpentan-2-ol

$$$$ Data

M. F.

C6H15NO

Suppliers	Catalog Number
Matrix Scientific	018487

Database	Data ID
PubChem	95405

M. W.

117.1894

CAS

Similarity

N/A

ID: 16503

2-[(1,1-dioxo-2,3-dihydro-1$l^{6}-thiophen-3-yl)amino]-3-methylbutanoic acid

$$$$ Data

M. F.

C9H15NO4S

Suppliers	Catalog Number
Matrix Scientific	018488

Database	Data ID
PubChem	3096993

M. W.

233.2847

CAS

Similarity

N/A

ID: 16504

1-(5-amino-2-methyl-2,3-dihydro-1H-indol-1-yl)ethan-1-one hydrochloride

$$$$ Data

M. F.

C11H15ClN2O

Suppliers	Catalog Number
Matrix Scientific	018489

Database	Data ID
PubChem	46735526

M. W.

226.7026

CAS

Similarity

N/A

ID: 16505

4,5-dihydro-1H-imidazol-2-amine hydroiodide

$$$$ Data

M. F.

C3H8IN3

Suppliers	Catalog Number
Matrix Scientific	018490

Database	Data ID
PubChem	12413796

M. W.

213.02019

CAS

Similarity

N/A

ID: 16506

5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-amine

$$$$ Data

M. F.

C10H8Cl2N2S

Suppliers	Catalog Number
Matrix Scientific	018491
Enamine	EN300-02540

Database	Data ID
PubChem	717338

M. W.

259.15492

CAS

Similarity

N/A

ID: 16507

1-amino-3-(9H-carbazol-9-yl)propan-2-ol

$$$$ Data

M. F.

C15H16N2O

Suppliers	Catalog Number
Matrix Scientific	018492
InterBioScreen	BB_SC-10375

Database	Data ID
PubChem	3133122

M. W.

240.30034

CAS

Similarity

N/A

ID: 16508

2-{1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl}acetic acid

$$$$ Data

M. F.

C12H17NO4

Suppliers	Catalog Number
Matrix Scientific	018493

Database	Data ID
PubChem	3133159

M. W.

239.26768

CAS

Similarity

N/A

ID: 16509

N-(3-chloro-4-methylphenyl)-2-(cyclohexylamino)acetamide

$$$$ Data

M. F.

C15H21ClN2O

Suppliers	Catalog Number
Matrix Scientific	018494

Database	Data ID
PubChem	237729

M. W.

280.79304

CAS

Similarity

N/A

ID: 16510

3-(5-sulfanyl-1,3,4-oxadiazol-2-yl)phenol

$$$$ Data

M. F.

C8H6N2O2S

Suppliers	Catalog Number
Matrix Scientific	018495
InterBioScreen	BB_SC-6098

Database	Data ID
PubChem	745318

M. W.

194.21044

CAS

Similarity

N/A

ID: 16511

2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid

$$$$ Data

M. F.

C10H8N2O3S

Suppliers	Catalog Number
Matrix Scientific	018496
InterBioScreen	BB_SC-7565
Enamine	EN300-05096

Database	Data ID
PubChem	351190

M. W.

236.24712

CAS

99361-50-9

Similarity

N/A

ID: 16512

3-ethyl-1,4-dimethyl-1H-pyrazol-5-amine

$$$$ Data

M. F.

C7H13N3

Suppliers	Catalog Number
Sigma Aldrich	CBR00337
ChemBridge	4010194
Matrix Scientific	018497

Database	Data ID
PubChem	1128420

M. W.

139.19822

CAS

21018-62-2

Similarity

N/A

ID: 16513

2-(2-tert-butylphenoxy)acetic acid

$$$$ Data

M. F.

C12H16O3

Suppliers	Catalog Number
Matrix Scientific	018499
Enamine	EN300-13186

Database	Data ID
PubChem	3135671

M. W.

208.25364

CAS

19271-90-0

Similarity

N/A

ID: 16514

6-methyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indole

$$$$ Data

M. F.

C12H14N2

Suppliers	Catalog Number
ChemBridge	4002715
Matrix Scientific	018500
InterBioScreen	BB_NC-2624 STOCK1N-75827

Database	Data ID
PubChem	593947

M. W.

186.25296

CAS

350680-06-7

Similarity

N/A

ID: 16515

2-[(6-methylquinazolin-4-yl)amino]propanoic acid

$$$$ Data

M. F.

C12H13N3O2

Suppliers	Catalog Number
ChemBridge	6161426
Matrix Scientific	018501

Database	Data ID
PubChem	4169490

M. W.

231.25052

CAS

Similarity

N/A

ID: 16516

2-(5-amino-1,3,4-thiadiazol-2-yl)acetic acid

$$$$ Data

M. F.

C4H5N3O2S

Suppliers	Catalog Number
Matrix Scientific	018502

Database	Data ID
PubChem	3135843

M. W.

159.1664

CAS

118863-94-8

Similarity

N/A

ID: 16517

5-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine

$$$$ Data

M. F.

C12H15N3O2S

Suppliers	Catalog Number
Matrix Scientific	018503
InterBioScreen	BB_SC-4897

Database	Data ID
PubChem	6486677

M. W.

265.3314

CAS

Similarity

N/A

ID: 16518

5-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-amine

$$$$ Data

M. F.

C10H11N3OS

Suppliers	Catalog Number
Matrix Scientific	018504

Database	Data ID
PubChem	3135844

M. W.

221.27884

CAS

Similarity

N/A

ID: 16519

5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine

$$$$ Data

M. F.

C10H11N3OS

Suppliers	Catalog Number
Matrix Scientific	018505

Database	Data ID
PubChem	3135845

M. W.

221.27884

CAS

Similarity

N/A

ID: 16520

2-chloro-1-(4-methylpiperazin-1-yl)ethan-1-one

$$$$ Data

M. F.

C7H13ClN2O

Suppliers	Catalog Number
ChemBridge	4031808
Matrix Scientific	018507

Database	Data ID
PubChem	818173

M. W.

176.64392

CAS

40340-73-6

Similarity

N/A

ID: 16521

1-(4-benzylpiperazin-1-yl)-2-chloroethan-1-one

$$$$ Data

M. F.

C13H17ClN2O

Suppliers	Catalog Number
Matrix Scientific	018508

Database	Data ID
PubChem	1537095

M. W.

252.73988

CAS

Similarity

N/A

ID: 16522

2-[(4-chloro-6-methylpyrimidin-2-yl)sulfanyl]-1-phenylethan-1-one

$$$$ Data

M. F.

C13H11ClN2OS

Suppliers	Catalog Number
Matrix Scientific	018509

Database	Data ID
PubChem	866082

M. W.

278.75724

CAS

Similarity

N/A

ID: 16523

2-hydroxy-5-(1H-1,2,3,4-tetrazol-1-yl)benzoic acid

$$$$ Data More

M. F.

C8H6N4O3

Suppliers	Catalog Number
ChemBridge	4010369
Matrix Scientific	018510
Life Chemicals	F2190-0707

Database	Data ID
PubChem	3136529

M. W.

206.15824

CAS

339310-80-4

Similarity

N/A

ID: 16524

1-[4-nitro-3-(piperidin-1-yl)phenyl]piperazine

$$$$ Data

M. F.

C15H22N4O2

Suppliers	Catalog Number
ChemBridge	5761837
Matrix Scientific	018511

Database	Data ID
PubChem	2867076

M. W.

290.36078

CAS

346704-04-9

Similarity

N/A

ID: 16525

2-hydroxy-2-(4-methoxyphenyl)-2-phenylacetic acid

$$$$ Data

M. F.

C15H14O4

Suppliers	Catalog Number
Matrix Scientific	018512

Database	Data ID
PubChem	231899

M. W.

258.26926

CAS

Similarity

N/A

ID: 16526

4-(aminomethyl)hepta-1,6-dien-4-ol

$$$$ Data

M. F.

C8H15NO

Suppliers	Catalog Number
ChemBridge	4004331
Matrix Scientific	018513

Database	Data ID
PubChem	3138069

M. W.

141.2108

CAS

44866-40-2

Similarity

N/A

ID: 16527

2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetic acid

$$$$ Data

M. F.

C10H11F3N2O2

Suppliers	Catalog Number
Matrix Scientific	018514
Enamine	EN300-92841

Database	Data ID
PubChem	788039

M. W.

248.2017496

CAS

Similarity

N/A

ID: 16528

2-chloro-N-(1-phenylethyl)acetamide

$$$$ Data

M. F.

C10H12ClNO

Suppliers	Catalog Number
ChemBridge	4022585
Matrix Scientific	018515

Database	Data ID
PubChem	222449

M. W.

197.66138

CAS

13230-80-3

Similarity

N/A

ID: 16529

4-(quinoxalin-2-yl)aniline

$$$$ Data

M. F.

C14H11N3

Suppliers	Catalog Number
Matrix Scientific	018516

Database	Data ID
PubChem	761862

M. W.

221.25724

CAS

Similarity

N/A

ID: 16530

(1-ethyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine

$$$$ Data

M. F.

C12H18N2

Suppliers	Catalog Number
Matrix Scientific	018517

Database	Data ID
PubChem	3139861

M. W.

190.28472

CAS

Similarity

N/A

ID: 16531

2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]acetic acid

$$$$ Data

M. F.

C11H10N2O4

Suppliers	Catalog Number
Matrix Scientific	018518

Database	Data ID
PubChem	6486694

M. W.

234.2081

CAS

Similarity

N/A

ID: 16532

2-(piperazin-1-ylmethyl)-1H-1,3-benzodiazole

$$$$ Data

M. F.

C12H16N4

Suppliers	Catalog Number
Matrix Scientific	018519
Apollo Scientific	OR6922
Life Chemicals	F2158-0625

Database	Data ID
PubChem	2737183

M. W.

216.28224

CAS

59052-85-6

Similarity

N/A

ID: 16533

2-chloro-1-(1H-pyrazol-1-yl)ethan-1-one

$$$$ Data

M. F.

C5H5ClN2O

Suppliers	Catalog Number
Matrix Scientific	018521

Database	Data ID
PubChem	3140850

M. W.

144.559

CAS

28998-74-5

Similarity

N/A

ID: 16534

2-methoxyquinoline-4-carboxylic acid

$$$$ Data

M. F.

C11H9NO3

Suppliers	Catalog Number
ChemBridge	4012355
Matrix Scientific	018522
InterBioScreen	BB_SC-3246 STOCK1N-66624

Database	Data ID
PubChem	1130354

M. W.

203.19406

CAS

10222-62-5

Similarity

N/A

ID: 16535

5-hydroxy-2-methyl-1-benzofuran-3-carboxylic acid

$$$$ Data

M. F.

C10H8O4

Suppliers	Catalog Number
Matrix Scientific	018523
InterBioScreen	STOCK1N-24612

Database	Data ID
PubChem	668281

M. W.

192.16812

CAS

Similarity

N/A

ID: 16536

5-ethoxy-2-methyl-1-benzofuran-3-carboxylic acid

$$$$ Data

M. F.

C12H12O4

Suppliers	Catalog Number
ChemBridge	6240046
Matrix Scientific	018524

Database	Data ID
PubChem	708268

M. W.

220.22128

CAS

300673-97-6

Similarity

N/A

ID: 16537

4-acetamido-1,2,5-oxadiazole-3-carboxylic acid

$$$$ Data

M. F.

C5H5N3O4

Suppliers	Catalog Number
Matrix Scientific	018525

Database	Data ID
PubChem	1260669

M. W.

171.1109

CAS

Similarity

N/A

ID: 16538

1-(furan-2-carbonyl)pyrrolidine-2-carboxylic acid

$$$$ Data

M. F.

C10H11NO4

Suppliers	Catalog Number
Matrix Scientific	018526
Enamine	EN300-12327

Database	Data ID
PubChem	565745

M. W.

209.19864

CAS

117918-56-6

Similarity

N/A

ID: 16539

5-acetyl-2-acetamido-4-methylthiophene-3-carboxylic acid

$$$$ Data

M. F.

C10H11NO4S

Suppliers	Catalog Number
Matrix Scientific	018527

Database	Data ID
PubChem	6483792

M. W.

241.26364

CAS

Similarity

N/A

ID: 16540

1-propyl-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine

$$$$ Data

M. F.

C10H16N2

Suppliers	Catalog Number
ChemBridge	3020257
Matrix Scientific	018528

Database	Data ID
PubChem	3141542

M. W.

164.24744

CAS

112758-86-8

Similarity

N/A

ID: 16541

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

$$$$ Data More

M. F.

C9H8N2O3S

Suppliers	Catalog Number
ChemBridge	4043678
Matrix Scientific	018529
InterBioScreen	BB_SC-3479

Database	Data ID
PubChem	714490

M. W.

224.23642

CAS

146628-89-9

Similarity

N/A

ID: 16542

3-bromo-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide

$$$$ Data

M. F.

C15H15BrN2O

Suppliers	Catalog Number
Matrix Scientific	018530

Database	Data ID
PubChem	3141843

M. W.

319.1964

CAS

Similarity

N/A

ID: 16543

2-[(1,1-dioxo-1$l^{6},2-benzothiazol-3-yl)amino]acetic acid

$$$$ Data

M. F.

C9H8N2O4S

Suppliers	Catalog Number
Matrix Scientific	018531
Enamine	EN300-05118

Database	Data ID
PubChem	2400889

M. W.

240.23582

CAS

71054-77-8

Similarity

N/A

ID: 16544

2-{[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetic acid

$$$$ Data

M. F.

C10H7FN2O3S

Suppliers	Catalog Number
Matrix Scientific	018532
Enamine	EN300-06505

Database	Data ID
PubChem	865308

M. W.

254.2375832

CAS

Similarity

N/A

ID: 16545

N-(2-ethylphenyl)-2-(3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetamide

$$$$ Data

M. F.

C18H19N3O2

Suppliers	Catalog Number
Matrix Scientific	018533

Database	Data ID
PubChem	2866926

M. W.

309.36236

CAS

Similarity

N/A

ID: 16546

2-chloro-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide

$$$$ Data

M. F.

C9H8ClN3OS

Suppliers	Catalog Number
Matrix Scientific	018534

Database	Data ID
PubChem	1132513

M. W.

241.69732

CAS

Similarity

N/A

ID: 16547

5-(piperidin-1-yl)thiophene-2-carbaldehyde

$$$$ Data More

M. F.

C10H13NOS

Suppliers	Catalog Number
Matrix Scientific	018535
Key Organics	12Y-0702
Maybridge	CC72604

Database	Data ID
PubChem	2113341

M. W.

195.28132

CAS

24372-48-3

Similarity

N/A

ID: 16548

2-chloro-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide

$$$$ Data

M. F.

C13H15ClN2O

Suppliers	Catalog Number
Matrix Scientific	018536

Database	Data ID
PubChem	3142519

M. W.

250.724

CAS

Similarity

N/A

ID: 16549

3-(3-bromophenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

$$$$ Data

M. F.

C8H6BrN3S

Suppliers	Catalog Number
Matrix Scientific	018537

Database	Data ID
PubChem	676286

M. W.

256.12234

CAS

Similarity

N/A

ID: 16550

5-cyclohexyl-4-ethyl-4H-1,2,4-triazole-3-thiol

$$$$ Data

M. F.

C10H17N3S

Suppliers	Catalog Number
ChemBridge	3008194
Matrix Scientific	018538

Database	Data ID
PubChem	865735

M. W.

211.32708

CAS

482650-81-7

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