Chembase list of 866358 unique molecular structures

6-tert-butyl-2-sulfanyl-3,4-dihydropyrimidin-4-one

$$$$ Data

M. F.

C8H12N2OS

Suppliers	Catalog Number
Life Chemicals	F1371-0161

Database	Data ID
PubChem	737911

M. W.

184.25868

CAS

Similarity

N/A

ID: 113552

7-amino-4-methyl-1,8-naphthyridin-2-ol

$$$$ Data

M. F.

C9H9N3O

Suppliers	Catalog Number
Life Chemicals	F1371-0181

Database	Data ID
PubChem	5354050

M. W.

175.18726

CAS

1569-15-9

Similarity

N/A

ID: 113553

1,3-benzothiazole-2-carboxamide

$$$$ Data

M. F.

C8H6N2OS

Suppliers	Catalog Number
Life Chemicals	F1371-0214

Database	Data ID
PubChem	638561

M. W.

178.21104

CAS

29198-43-4

Similarity

N/A

ID: 113554

2-(2-methyl-1,3-thiazol-5-yl)acetic acid

$$$$ Data

M. F.

C6H7NO2S

Suppliers	Catalog Number
Life Chemicals	F1371-0243

Database	Data ID
PubChem	6852046

M. W.

157.19028

CAS

52454-65-6

Similarity

N/A

ID: 113555

4-(chloromethyl)-7-methoxy-2H-chromen-2-one

$$$$ Data

M. F.

C11H9ClO3

Suppliers	Catalog Number
Life Chemicals	F1371-0406
InterBioScreen	BB_NC-1033 STOCK1N-44025
Enamine	EN300-05269

Database	Data ID
PubChem	908367

M. W.

224.64036

CAS

41295-55-0

Similarity

N/A

ID: 113556

3-(4-fluorophenyl)-2-sulfanyl-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one

$$$$ Data

M. F.

C12H9FN2OS2

Suppliers	Catalog Number
Life Chemicals	F1386-0004

Database	Data ID
PubChem	2049308

M. W.

280.3410632

CAS

Similarity

N/A

ID: 113557

3-(4-ethoxyphenyl)-2-sulfanyl-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one

$$$$ Data

M. F.

C14H14N2O2S2

Suppliers	Catalog Number
Life Chemicals	F1386-0010

Database	Data ID
PubChem	2049310

M. W.

306.40316

CAS

Similarity

N/A

ID: 113558

1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ol

$$$$ Data

M. F.

C11H8N4O

Suppliers	Catalog Number
Alfa Aesar	L10286
Life Chemicals	F1386-0037
TRC	H950750

Database	Data ID
PubChem	88867

M. W.

212.20742

CAS

21314-17-0

Similarity

N/A

ID: 113559

1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ol

$$$$ Data

M. F.

C11H7ClN4O

Suppliers	Catalog Number
Life Chemicals	F1386-0038

Database	Data ID
PubChem	219734

M. W.

246.65248

CAS

5334-29-2

Similarity

N/A

ID: 113560

1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ol

$$$$ Data

M. F.

C12H10N4O

Suppliers	Catalog Number
Life Chemicals	F1386-0041

Database	Data ID
PubChem	2049311

M. W.

226.234

CAS

Similarity

N/A

ID: 113561

4-chloro-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine

$$$$ Data

M. F.

C11H7ClN4

Suppliers	Catalog Number
Life Chemicals	F1386-0043
Enamine	EN300-25473

Database	Data ID
PubChem	219752

M. W.

230.65308

CAS

5334-48-5

Similarity

N/A

ID: 113562

4-chloro-1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine

$$$$ Data

M. F.

C11H6Cl2N4

Suppliers	Catalog Number
Life Chemicals	F1386-0044

Database	Data ID
PubChem	219769

M. W.

265.09814

CAS

5334-59-8

Similarity

N/A

ID: 113563

4-chloro-1-(4-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidine

$$$$ Data

M. F.

C12H9ClN4O

Suppliers	Catalog Number
Life Chemicals	F1386-0045

Database	Data ID
PubChem	2049313

M. W.

260.67906

CAS

650628-54-9

Similarity

N/A

ID: 113564

4-chloro-1-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine

$$$$ Data

M. F.

C12H9ClN4

Suppliers	Catalog Number
Life Chemicals	F1386-0046

Database	Data ID
PubChem	2049314

M. W.

244.67966

CAS

Similarity

N/A

ID: 113565

4-chloro-1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidine

$$$$ Data

M. F.

C13H11ClN4

Suppliers	Catalog Number
Life Chemicals	F1386-0047

Database	Data ID
PubChem	2049315

M. W.

258.70624

CAS

610277-86-6

Similarity

N/A

ID: 113566

2-phenyl-2H,4H,6H-thieno[3,4-c]pyrazol-3-amine

$$$$ Data

M. F.

C11H11N3S

Suppliers	Catalog Number
Life Chemicals	F1386-0055
InterBioScreen	BB_SC-9667

Database	Data ID
PubChem	2049317

M. W.

217.29014

CAS

95469-88-8

Similarity

N/A

ID: 113567

2-(4-methoxyphenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-amine

$$$$ Data

M. F.

C12H13N3OS

Suppliers	Catalog Number
Life Chemicals	F1386-0056

Database	Data ID
PubChem	2049318

M. W.

247.31612

CAS

Similarity

N/A

ID: 113568

2-(2,4-dimethylphenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-amine

$$$$ Data

M. F.

C13H15N3S

Suppliers	Catalog Number
Life Chemicals	F1386-0057

Database	Data ID
PubChem	2049319

M. W.

245.3433

CAS

Similarity

N/A

ID: 113569

2-(2-methylphenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-amine

$$$$ Data

M. F.

C12H13N3S

Suppliers	Catalog Number
Life Chemicals	F1386-0058

Database	Data ID
PubChem	2049320

M. W.

231.31672

CAS

Similarity

N/A

ID: 113570

2-(3-methylphenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-amine

$$$$ Data

M. F.

C12H13N3S

Suppliers	Catalog Number
Life Chemicals	F1386-0059

Database	Data ID
PubChem	2049321

M. W.

231.31672

CAS

Similarity

N/A

ID: 113571

2-(4-methylphenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-amine

$$$$ Data

M. F.

C12H13N3S

Suppliers	Catalog Number
Life Chemicals	F1386-0060

Database	Data ID
PubChem	2049323

M. W.

231.31672

CAS

Similarity

N/A

ID: 113572

2-(4-chlorophenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-amine

$$$$ Data

M. F.

C11H10ClN3S

Suppliers	Catalog Number
Life Chemicals	F1386-0062

Database	Data ID
PubChem	2049327

M. W.

251.7352

CAS

Similarity

N/A

ID: 113573

2-tert-butyl-2H,4H,6H-thieno[3,4-c]pyrazol-3-amine

$$$$ Data

M. F.

C9H15N3S

Suppliers	Catalog Number
Life Chemicals	F1386-0063

Database	Data ID
PubChem	2049329

M. W.

197.3005

CAS

Similarity

N/A

ID: 113574

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

$$$$ Data

M. F.

C10H11N3O2S

Suppliers	Catalog Number
Life Chemicals	F1386-0074

Database	Data ID
PubChem	2049330

M. W.

237.27824

CAS

88742-90-9

Similarity

N/A

ID: 113575

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

$$$$ Data

M. F.

C10H11N3O2S

Suppliers	Catalog Number
Life Chemicals	F1386-0075

Database	Data ID
PubChem	1990443

M. W.

237.27824

CAS

Similarity

N/A

ID: 113576

methyl 3-amino-4,5-dihydrothiophene-2-carboxylate

$$$$ Data

M. F.

C6H9NO2S

Suppliers	Catalog Number
Life Chemicals	F1386-0087

Database	Data ID
PubChem	717296

M. W.

159.20616

CAS

167280-87-7

Similarity

N/A

ID: 113577

1-(4-chlorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine

$$$$ Data

M. F.

C13H13ClN2

Suppliers	Catalog Number
Life Chemicals	F1386-0111

Database	Data ID
PubChem	578665

M. W.

232.70872

CAS

112758-91-5

Similarity

N/A

ID: 113578

1-(2-fluorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine

$$$$ Data

M. F.

C13H13FN2

Suppliers	Catalog Number
Life Chemicals	F1386-0114

Database	Data ID
PubChem	2770913

M. W.

216.2541232

CAS

Similarity

N/A

ID: 113579

1-(2,4-dichlorophenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine

$$$$ Data

M. F.

C13H12Cl2N2

Suppliers	Catalog Number
Life Chemicals	F1386-0115

Database	Data ID
PubChem	5189353

M. W.

267.15378

CAS

Similarity

N/A

ID: 113580

1-(4-ethoxyphenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine

$$$$ Data

M. F.

C15H18N2O

Suppliers	Catalog Number
Life Chemicals	F1386-0120

Database	Data ID
PubChem	2770916

M. W.

242.31622

CAS

Similarity

N/A

ID: 113581

1-(thiophen-2-yl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine

$$$$ Data

M. F.

C11H12N2S

Suppliers	Catalog Number
ChemBridge	4036238
Life Chemicals	F1386-0121

Database	Data ID
PubChem	2770917

M. W.

204.29138

CAS

865546-35-6

Similarity

N/A

ID: 113582

4-{1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-1-yl}pyridine

$$$$ Data

M. F.

C12H13N3

Suppliers	Catalog Number
Life Chemicals	F1386-0123

Database	Data ID
PubChem	2770918

M. W.

199.25172

CAS

887201-29-8

Similarity

N/A

ID: 113583

3-{1H,2H,3H,4H-pyrrolo[1,2-a]pyrazin-1-yl}pyridine

$$$$ Data

M. F.

C12H13N3

Suppliers	Catalog Number
ChemBridge	4035995
Life Chemicals	F1386-0124

Database	Data ID
PubChem	2770919

M. W.

199.25172

CAS

865546-36-7

Similarity

N/A

ID: 113584

1-(3,4-dimethoxyphenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine

$$$$ Data

M. F.

C15H18N2O2

Suppliers	Catalog Number
Life Chemicals	F1386-0125

Database	Data ID
PubChem	2770920

M. W.

258.31562

CAS

Similarity

N/A

ID: 113585

1-(3,4,5-trimethoxyphenyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine

$$$$ Data

M. F.

C16H20N2O3

Suppliers	Catalog Number
Life Chemicals	F1386-0126

Database	Data ID
PubChem	2770921

M. W.

288.3416

CAS

73627-27-7

Similarity

N/A

ID: 113586

4-{[2-(pyridin-3-yl)piperidin-1-yl]sulfonyl}aniline

$$$$ Data

M. F.

C16H19N3O2S

Suppliers	Catalog Number
Life Chemicals	F1386-0127

Database	Data ID
PubChem	2770922

M. W.

317.40596

CAS

Similarity

N/A

ID: 113587

1-(4-fluorophenoxymethyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

$$$$ Data

M. F.

C18H20FNO3

Suppliers	Catalog Number
Life Chemicals	F1386-0128

Database	Data ID
PubChem	2770923

M. W.

317.3547032

CAS

Similarity

N/A

ID: 113588

1-(4-ethylphenoxymethyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

$$$$ Data

M. F.

C20H25NO3

Suppliers	Catalog Number
Life Chemicals	F1386-0130

Database	Data ID
PubChem	2770924

M. W.

327.4174

CAS

Similarity

N/A

ID: 113589

6,7-dimethoxy-1-(4-nitrophenoxymethyl)-1,2,3,4-tetrahydroisoquinoline

$$$$ Data

M. F.

C18H20N2O5

Suppliers	Catalog Number
Life Chemicals	F1386-0134

Database	Data ID
PubChem	2770926

M. W.

344.3618

CAS

Similarity

N/A

ID: 113590

6,7-dimethoxy-1-[3-(trifluoromethyl)phenoxymethyl]-1,2,3,4-tetrahydroisoquinolin...

$$$$ Data

M. F.

C19H20F3NO3

Suppliers	Catalog Number
Life Chemicals	F1386-0135

Database	Data ID
PubChem	2770927

M. W.

367.3622096

CAS

Similarity

N/A

ID: 113591

methyl 4-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methoxy]benzoate

$$$$ Data

M. F.

C20H23NO5

Suppliers	Catalog Number
Life Chemicals	F1386-0136

Database	Data ID
PubChem	2770928

M. W.

357.40032

CAS

Similarity

N/A

ID: 113592

2-(3-chlorophenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-amine

$$$$ Data

M. F.

C11H10ClN3S

Suppliers	Catalog Number
Life Chemicals	F1386-0150

Database	Data ID
PubChem	2049413

M. W.

251.7352

CAS

Similarity

N/A

ID: 113593

2-(4-fluorophenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-amine

$$$$ Data

M. F.

C11H10FN3S

Suppliers	Catalog Number
Life Chemicals	F1386-0151

Database	Data ID
PubChem	2049414

M. W.

235.2806032

CAS

Similarity

N/A

ID: 113594

2-(2,3-dimethylphenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-amine

$$$$ Data

M. F.

C13H15N3S

Suppliers	Catalog Number
Life Chemicals	F1386-0152

Database	Data ID
PubChem	4188026

M. W.

245.3433

CAS

Similarity

N/A

ID: 113595

2-(3,4-dimethylphenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-amine

$$$$ Data

M. F.

C13H15N3S

Suppliers	Catalog Number
Life Chemicals	F1386-0153

Database	Data ID
PubChem	2049415

M. W.

245.3433

CAS

Similarity

N/A

ID: 113596

11-(4-aminobenzenesulfonyl)-7,11-diazatricyclo[7.3.1.0²,⁷]...

$$$$ Data

M. F.

C17H19N3O3S

Suppliers	Catalog Number
Life Chemicals	F1386-0154

Database	Data ID
PubChem	2770929

M. W.

345.41606

CAS

Similarity

N/A

ID: 113597

6-amino-5-nitropyrimidin-4-ol

$$$$ Data

M. F.

C4H4N4O3

Suppliers	Catalog Number
Life Chemicals	F1386-0155

Database	Data ID
PubChem	2770930

M. W.

156.09956

CAS

36746-26-6

Similarity

N/A

ID: 113598

6-amino-5-nitropyrimidine-4-thiol

$$$$ Data

M. F.

C4H4N4O2S

Suppliers	Catalog Number
Life Chemicals	F1386-0157

Database	Data ID
PubChem	2770931

M. W.

172.16516

CAS

Similarity

N/A

ID: 113599

2-sulfanyl-5H,6H,7H,8H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-8-one

$$$$ Data

M. F.

C6H7N3OS2

Suppliers	Catalog Number
Life Chemicals	F1386-0158

Database	Data ID
PubChem	2770932

M. W.

201.26928

CAS

Similarity

N/A

ID: 113600

[(1-benzyl-1H-indol-3-yl)sulfanyl]methanimidamide

$$$$ Data

M. F.

C16H15N3S

Suppliers	Catalog Number
Life Chemicals	F1386-0159

Database	Data ID
PubChem	2049418

M. W.

281.3754

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