Chembase list of 866358 unique molecular structures

6-amino-2-methylquinolin-4-ol hydrochloride

$$$$ Data

M. F.

C10H11ClN2O

Suppliers	Catalog Number
InterBioScreen	BB_SC-1551

Database	Data ID
PubChem	44668151

M. W.

210.66014

CAS

Similarity

N/A

ID: 121552

2-{5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}acetic acid

$$$$ Data

M. F.

C8H8N4O3

Suppliers	Catalog Number
InterBioScreen	BB_SC-1552

Database	Data ID
PubChem	706640

M. W.

208.17412

CAS

Similarity

N/A

ID: 121553

4,4,6-trimethyl-1,4-dihydropyrimidine-2-thiol

$$$$ Data

M. F.

C7H12N2S

Suppliers	Catalog Number
InterBioScreen	BB_SC-1566

Database	Data ID
PubChem	965143

M. W.

156.24858

CAS

Similarity

N/A

ID: 121554

5-(2-methoxy-5-nitrophenyl)furan-2-carbaldehyde

$$$$ Data

M. F.

C12H9NO5

Suppliers	Catalog Number
ChemBridge	6554461
InterBioScreen	BB_SC-1567

Database	Data ID
PubChem	883413

M. W.

247.20356

CAS

714939-06-7

Similarity

N/A

ID: 121555

2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)(methyl)amino]ethan-1-ol

$$$$ Data

M. F.

C9H9ClN4O4

Suppliers	Catalog Number
InterBioScreen	BB_SC-1568

Database	Data ID
PubChem	2772137

M. W.

272.64516

CAS

Similarity

N/A

ID: 121556

7-chloro-5-(4-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazole

$$$$ Data

M. F.

C12H13ClN4O3

Suppliers	Catalog Number
InterBioScreen	BB_SC-1569

Database	Data ID
PubChem	2772138

M. W.

296.70962

CAS

Similarity

N/A

ID: 121557

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

$$$$ Data

M. F.

C6H8ClN3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-1574

Database	Data ID
PubChem	1994291

M. W.

189.66582

CAS

Similarity

N/A

ID: 121558

1-(4-chloro-1,2,5-thiadiazol-3-yl)-4-methylpiperidine

$$$$ Data

M. F.

C8H12ClN3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-1576

Database	Data ID
PubChem	2772140

M. W.

217.71898

CAS

Similarity

N/A

ID: 121559

5-methoxy-2,3-dihydro-1H-1,3-benzodiazole-2-thione

$$$$ Data

M. F.

C8H8N2OS

Suppliers	Catalog Number
InterBioScreen	BB_SC-1604

Database	Data ID
PubChem	665603

M. W.

180.22692

CAS

Similarity

N/A

ID: 121560

4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde

$$$$ Data

M. F.

C14H15N3O2

Suppliers	Catalog Number
ChemBridge	6131413
InterBioScreen	BB_SC-1635
Enamine	EN300-01118

Database	Data ID
PubChem	794784

M. W.

257.2878

CAS

33345-96-9

Similarity

N/A

ID: 121561

2-(4-methylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde

$$$$ Data

M. F.

C14H16N4O2

Suppliers	Catalog Number
ChemBridge	6895554
InterBioScreen	BB_SC-1636

Database	Data ID
PubChem	799817

M. W.

272.30244

CAS

154816-49-6

Similarity

N/A

ID: 121562

1-{3-formyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide

$$$$ Data

M. F.

C15H16N4O3

Suppliers	Catalog Number
InterBioScreen	BB_SC-1637

Database	Data ID
PubChem	904240

M. W.

300.31254

CAS

Similarity

N/A

ID: 121563

2-(4-ethylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde

$$$$ Data

M. F.

C15H18N4O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-1639

Database	Data ID
PubChem	2772166

M. W.

286.32902

CAS

Similarity

N/A

ID: 121564

2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbald...

$$$$ Data

M. F.

C20H20N4O3

Suppliers	Catalog Number
InterBioScreen	BB_SC-1640

Database	Data ID
PubChem	2019890

M. W.

364.3978

CAS

Similarity

N/A

ID: 121565

2-(4-benzylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde

$$$$ Data

M. F.

C21H21N3O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-1641

Database	Data ID
PubChem	1856601

M. W.

347.41034

CAS

Similarity

N/A

ID: 121566

2-(azepan-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde

$$$$ Data

M. F.

C15H17N3O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-1642
Enamine	EN300-01119

Database	Data ID
PubChem	918404

M. W.

271.31438

CAS

Similarity

N/A

ID: 121567

ethyl 4-{3-formyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperazine-1-carboxylate

$$$$ Data

M. F.

C16H18N4O4

Suppliers	Catalog Number
InterBioScreen	BB_SC-1643

Database	Data ID
PubChem	976747

M. W.

330.33852

CAS

Similarity

N/A

ID: 121568

ethyl 1-{3-formyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxylate

$$$$ Data

M. F.

C17H19N3O4

Suppliers	Catalog Number
InterBioScreen	BB_SC-1644

Database	Data ID
PubChem	1524514

M. W.

329.35046

CAS

Similarity

N/A

ID: 121569

ethyl 4-{3-formyl-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperazine-1-car...

$$$$ Data

M. F.

C17H20N4O4

Suppliers	Catalog Number
InterBioScreen	BB_SC-1646

Database	Data ID
PubChem	1856407

M. W.

344.3651

CAS

Similarity

N/A

ID: 121570

2-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin...

$$$$ Data

M. F.

C17H19N3O4

Suppliers	Catalog Number
InterBioScreen	BB_SC-1647

Database	Data ID
PubChem	2772167

M. W.

329.35046

CAS

Similarity

N/A

ID: 121571

2-chloro-N-(1,1-dioxo-2,3-dihydro-1λ⁶-thiophen-3-yl)acetamide

$$$$ Data

M. F.

C6H8ClNO3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-1648

Database	Data ID
PubChem	2772168

M. W.

209.65062

CAS

Similarity

N/A

ID: 121572

2-chloro-N-(1,1-dioxo-2,3-dihydro-1λ⁶-thiophen-3-yl)-N-phenylacetami...

$$$$ Data

M. F.

C12H12ClNO3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-1651
Enamine	EN300-10649

Database	Data ID
PubChem	2772171

M. W.

285.74658

CAS

Similarity

N/A

ID: 121573

2-chloro-N-(1,1-dioxo-1λ⁶-thiolan-3-yl)-N-phenylacetamide

$$$$ Data

M. F.

C12H14ClNO3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-1652
Enamine	EN300-10599

Database	Data ID
PubChem	2772172

M. W.

287.76246

CAS

Similarity

N/A

ID: 121574

9-methyl-2-(4-methylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldeh...

$$$$ Data

M. F.

C16H19N3O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-1665

Database	Data ID
PubChem	763938

M. W.

285.34096

CAS

Similarity

N/A

ID: 121575

2-(4-benzylpiperidin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldeh...

$$$$ Data

M. F.

C22H23N3O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-1666

Database	Data ID
PubChem	1945373

M. W.

361.43692

CAS

Similarity

N/A

ID: 121576

ethyl 1-{3-formyl-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-car...

$$$$ Data

M. F.

C18H21N3O4

Suppliers	Catalog Number
InterBioScreen	BB_SC-1667

Database	Data ID
PubChem	2031152

M. W.

343.37704

CAS

Similarity

N/A

ID: 121577

2-(azepan-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde

$$$$ Data

M. F.

C16H19N3O2

Suppliers	Catalog Number
InterBioScreen	BB_SC-1698

Database	Data ID
PubChem	687490

M. W.

285.34096

CAS

Similarity

N/A

ID: 121578

8-ethoxyquinoline-2-carbaldehyde

$$$$ Data

M. F.

C12H11NO2

Suppliers	Catalog Number
InterBioScreen	BB_SC-1704
Enamine	EN300-108934

Database	Data ID
PubChem	1256105

M. W.

201.22124

CAS

Similarity

N/A

ID: 121579

methyl 4-(2-methoxyphenyl)-2,4-dioxobutanoate

$$$$ Data

M. F.

C12H12O5

Suppliers	Catalog Number
InterBioScreen	BB_SC-1710
Enamine	EN300-13908

Database	Data ID
PubChem	2772206

M. W.

236.22068

CAS

Similarity

N/A

ID: 121580

3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbohydrazide

$$$$ Data

M. F.

C12H14N4O3

Suppliers	Catalog Number
InterBioScreen	BB_SC-1717
Enamine	EN300-110840

Database	Data ID
PubChem	785587

M. W.

262.26456

CAS

Similarity

N/A

ID: 121581

carbamimidoylthiourea hydrochloride

$$$$ Data

M. F.

C2H7ClN4S

Suppliers	Catalog Number
InterBioScreen	BB_SC-1723

Database	Data ID
PubChem	20479355

M. W.

154.62178

CAS

Similarity

N/A

ID: 121582

2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethan-1-amine dihydrochloride

$$$$ Data

M. F.

C7H15Cl2N3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-1731

Database	Data ID
PubChem	3015999

M. W.

244.1851

CAS

Similarity

N/A

ID: 121583

1,1-dioxo-2,3-dihydro-1λ⁶-thiophen-3-aminium chloride

$$$$ Data

M. F.

C4H8ClNO2S

Suppliers	Catalog Number
InterBioScreen	BB_SC-1743

Database	Data ID
PubChem	44664300

M. W.

169.62982

CAS

Similarity

N/A

ID: 121584

(3R,4S)-3-amino-4-hydroxy-1λ⁶-thiolane-1,1-dione hydrochloride

$$$$ Data

M. F.

C4H10ClNO3S

Suppliers	Catalog Number
InterBioScreen	BB_SC-1744

Database	Data ID
PubChem	51051849

M. W.

187.6451

CAS

Similarity

N/A

ID: 121585

potassium [(1,1-dioxo-1λ⁶-thiolan-3-yl)(methyl)carbamothioyl]sulfani...

$$$$ Data

M. F.

C6H10KNO2S3

Suppliers	Catalog Number
InterBioScreen	BB_SC-1758

Database	Data ID
PubChem	23667428

M. W.

263.4424

CAS

Similarity

N/A

ID: 121586

3,4-diamino-1λ⁶-thiolane-1,1-dione dihydrochloride

$$$$ Data

M. F.

C4H12Cl2N2O2S

Suppliers	Catalog Number
InterBioScreen	BB_SC-1782

Database	Data ID
PubChem	16426974

M. W.

223.12128

CAS

Similarity

N/A

ID: 121587

3-isothiocyanato-2,5-dihydro-1λ⁶-thiophene-1,1-dione

$$$$ Data

M. F.

C5H5NO2S2

Suppliers	Catalog Number
InterBioScreen	BB_SC-1787

Database	Data ID
PubChem	2049296

M. W.

175.2287

CAS

Similarity

N/A

ID: 121588

2-(isothiocyanatomethyl)oxolane

$$$$ Data

M. F.

C6H9NOS

Suppliers	Catalog Number
InterBioScreen	BB_SC-1801

Database	Data ID
PubChem	142108

M. W.

143.20676

CAS

Similarity

N/A

ID: 121589

diethyl(2-isothiocyanatoethyl)amine

$$$$ Data

M. F.

C7H14N2S

Suppliers	Catalog Number
InterBioScreen	BB_SC-1806

Database	Data ID
PubChem	2772281

M. W.

158.26446

CAS

Similarity

N/A

ID: 121590

1-isothiocyanato-3-(propan-2-yloxy)propane

$$$$ Data

M. F.

C7H13NOS

Suppliers	Catalog Number
InterBioScreen	BB_SC-1809

Database	Data ID
PubChem	2772283

M. W.

159.24922

CAS

Similarity

N/A

ID: 121591

1-isothiocyanato-4-phenoxybenzene

$$$$ Data

M. F.

C13H9NOS

Suppliers	Catalog Number
InterBioScreen	BB_SC-1825

Database	Data ID
PubChem	145694

M. W.

227.28166

CAS

Similarity

N/A

ID: 121592

methyl 4-isothiocyanatobenzoate

$$$$ Data

M. F.

C9H7NO2S

Suppliers	Catalog Number
InterBioScreen	BB_SC-1829

Database	Data ID
PubChem	138002

M. W.

193.22238

CAS

Similarity

N/A

ID: 121593

N-(4-isothiocyanatophenyl)acetamide

$$$$ Data

M. F.

C9H8N2OS

Suppliers	Catalog Number
InterBioScreen	BB_SC-1832

Database	Data ID
PubChem	2772285

M. W.

192.23762

CAS

Similarity

N/A

ID: 121594

1-isothiocyanato-4-(trifluoromethyl)benzene

$$$$ Data

M. F.

C8H4F3NS

Suppliers	Catalog Number
Sigma Aldrich	476099
Alfa Aesar	L11890
InterBioScreen	BB_SC-1838

Database	Data ID
PubChem	137134

M. W.

203.1842696

CAS

1645-65-4

Similarity

N/A

ID: 121595

ethyl 2-isothiocyanatobenzoate

$$$$ Data

M. F.

C10H9NO2S

Suppliers	Catalog Number
InterBioScreen	BB_SC-1841 STOCK1N-67408

Database	Data ID
PubChem	523235

M. W.

207.24896

CAS

Similarity

N/A

ID: 121596

3-isothiocyanatooctane

$$$$ Data

M. F.

C9H17NS

Suppliers	Catalog Number
InterBioScreen	BB_SC-1847

Database	Data ID
PubChem	2772287

M. W.

171.30298

CAS

Similarity

N/A

ID: 121597

1-isothiocyanato-3-methoxybenzene

$$$$ Data

M. F.

C8H7NOS

Suppliers	Catalog Number
InterBioScreen	BB_SC-1849

Database	Data ID
PubChem	137832

M. W.

165.21228

CAS

Similarity

N/A

ID: 121598

1-chloro-2-isothiocyanatobenzene

$$$$ Data

M. F.

C7H4ClNS

Suppliers	Catalog Number
InterBioScreen	BB_SC-1851

Database	Data ID
PubChem	123171

M. W.

169.63136

CAS

Similarity

N/A

ID: 121599

1-chloro-4-isothiocyanatobenzene

$$$$ Data

M. F.

C7H4ClNS

Suppliers	Catalog Number
InterBioScreen	BB_SC-1852

Database	Data ID
PubChem	16480

M. W.

169.63136

CAS

Similarity

N/A

ID: 121600

1-fluoro-4-isothiocyanatobenzene

$$$$ Data

M. F.

C7H4FNS

Suppliers	Catalog Number
InterBioScreen	BB_SC-1854

Database	Data ID
PubChem	15241

M. W.

153.1767632

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