Chembase list of 866358 unique molecular structures

1-(4-nitrophenyl)-3-(thiophen-3-yl)prop-2-en-1-one

$$$$ Data

M. F.

C13H9NO3S

Suppliers	Catalog Number
Apollo Scientific	OR28497

Database	Data ID
PubChem	5712219

M. W.

259.28046

CAS

Similarity

N/A

ID: 85502

1-(naphthalen-2-yl)-3-(thiophen-3-yl)prop-2-en-1-one

$$$$ Data

M. F.

C17H12OS

Suppliers	Catalog Number
Apollo Scientific	OR28498

Database	Data ID
PubChem	5712220

M. W.

264.34158

CAS

Similarity

N/A

ID: 85503

1-(4-chlorophenyl)-3-(thiophen-3-yl)prop-2-en-1-one

$$$$ Data

M. F.

C13H9ClOS

Suppliers	Catalog Number
Apollo Scientific	OR28499

Database	Data ID
PubChem	5467679

M. W.

248.72796

CAS

Similarity

N/A

ID: 85504

[4-(4-phenoxybenzoyl)phenyl](4-phenoxyphenyl)methanone

$$$$ Data

M. F.

C32H22O4

Suppliers	Catalog Number
Apollo Scientific	OR2850

Database	Data ID
PubChem	2058710

M. W.

470.51468

CAS

54299-17-1

Similarity

N/A

ID: 85505

2-(methylsulfanyl)naphthalene

$$$$ Data

M. F.

C11H10S

Suppliers	Catalog Number
Alfa Aesar	B22368
Apollo Scientific	OR28500

Database	Data ID
PubChem	139022

M. W.

174.2621

CAS

7433-79-6

Similarity

N/A

ID: 85506

1-(1-benzothiophen-3-yl)-3-(4-ethoxyphenyl)prop-2-en-1-one

$$$$ Data

M. F.

C19H16O2S

Suppliers	Catalog Number
Apollo Scientific	OR28501

Database	Data ID
PubChem	5712221

M. W.

308.39414

CAS

Similarity

N/A

ID: 85507

1-(4-methylphenyl)-3-(3-nitrophenyl)prop-2-en-1-one

$$$$ Data

M. F.

C16H13NO3

Suppliers	Catalog Number
Maybridge	S11389
Apollo Scientific	OR28502

Database	Data ID
PubChem	5712222

M. W.

267.27932

CAS

57026-80-9

Similarity

N/A

ID: 85508

(2E)-3-(4-methylphenyl)-1-(3-nitrophenyl)prop-2-en-1-one

$$$$ Data

M. F.

C16H13NO3

Suppliers	Catalog Number
Maybridge	S11395
Apollo Scientific	OR28503

Database	Data ID
PubChem	5712223

M. W.

267.27932

CAS

25870-68-2

Similarity

N/A

ID: 85509

1,4-dimethoxy-2-(2-nitroprop-1-en-1-yl)benzene

$$$$ Data

M. F.

C11H13NO4

Suppliers	Catalog Number
Apollo Scientific	OR28504

Database	Data ID
PubChem	5376407

M. W.

223.22522

CAS

Similarity

N/A

ID: 85510

1-(5-chlorothiophen-2-yl)-3-(4-methoxyphenyl)prop-2-en-1-one

$$$$ Data

M. F.

C14H11ClO2S

Suppliers	Catalog Number
Apollo Scientific	OR28505

Database	Data ID
PubChem	5356331

M. W.

278.75394

CAS

152432-23-0

Similarity

N/A

ID: 85511

3-[(5-chloro-2-methylphenyl)carbamoyl]prop-2-enoic acid

$$$$ Data

M. F.

C11H10ClNO3

Suppliers	Catalog Number
Apollo Scientific	OR28506

Database	Data ID
PubChem	710513

M. W.

239.655

CAS

175205-20-6

Similarity

N/A

ID: 85512

2-[(2-phenylethenyl)sulfanyl]acetic acid

$$$$ Data

M. F.

C10H10O2S

Suppliers	Catalog Number
Maybridge	S11590
Apollo Scientific	OR28507

Database	Data ID
PubChem	5474136

M. W.

194.2502

CAS

13435-97-7

Similarity

N/A

ID: 85513

2-(2-phenylethenesulfonyl)acetic acid

$$$$ Data

M. F.

C10H10O4S

Suppliers	Catalog Number
Apollo Scientific	OR28508

Database	Data ID
PubChem	5702438

M. W.

226.249

CAS

102154-41-6

Similarity

N/A

ID: 85514

3-[(2-phenylethenyl)sulfanyl]propanoic acid

$$$$ Data

M. F.

C11H12O2S

Suppliers	Catalog Number
Apollo Scientific	OR28509

Database	Data ID
PubChem	5702439

M. W.

208.27678

CAS

175205-21-7

Similarity

N/A

ID: 85515

2-bromo-1-(2,4-dimethoxyphenyl)ethan-1-one

$$$$ Data

M. F.

C10H11BrO3

Suppliers	Catalog Number
Sigma Aldrich	199486 377333
Alfa Aesar	B22300
Apollo Scientific	OR2851

Database	Data ID
PubChem	98683

M. W.

259.09654

CAS

60965-26-6

Similarity

N/A

ID: 85516

3-(2-phenylethenesulfonyl)propanoic acid

$$$$ Data

M. F.

C11H12O4S

Suppliers	Catalog Number
Apollo Scientific	OR28510

Database	Data ID
PubChem	5932421

M. W.

240.27558

CAS

175205-22-8

Similarity

N/A

ID: 85517

2-({[(1-carboxyethyl)sulfanyl]methyl}sulfanyl)propanoic acid

$$$$ Data

M. F.

C7H12O4S2

Suppliers	Catalog Number
Apollo Scientific	OR28511

Database	Data ID
PubChem	591963

M. W.

224.29778

CAS

98962-98-2

Similarity

N/A

ID: 85518

1-nitro-4-(2-nitroethenyl)benzene

$$$$ Data More

M. F.

C8H6N2O4

Suppliers	Catalog Number
Alfa Aesar	L12362
Maybridge	S11897
Apollo Scientific	OR28512

Database	Data ID
PubChem	5355016

M. W.

194.14424

CAS

3156-41-0

Similarity

N/A

ID: 85519

4-methoxy-2H-chromen-2-one

$$$$ Data

M. F.

C10H8O3

Suppliers	Catalog Number
Alfa Aesar	A13670
Apollo Scientific	OR28513

Database	Data ID
PubChem	529426

M. W.

176.16872

CAS

20280-81-3

Similarity

N/A

ID: 85520

methyl 2-({[(2-methoxy-2-oxoethyl)sulfanyl]methyl}sulfanyl)acetate

$$$$ Data

M. F.

C7H12O4S2

Suppliers	Catalog Number
Apollo Scientific	OR28514

Database	Data ID
PubChem	2795412

M. W.

224.29778

CAS

74705-25-2

Similarity

N/A

ID: 85521

ethyl 2-({[(2-ethoxy-2-oxoethyl)sulfanyl]methyl}sulfanyl)acetate

$$$$ Data

M. F.

C9H16O4S2

Suppliers	Catalog Number
Maybridge	S12083
Apollo Scientific	OR28515

Database	Data ID
PubChem	521987

M. W.

252.35094

CAS

61713-23-3

Similarity

N/A

ID: 85522

1-methoxy-3-(2-nitroprop-1-en-1-yl)benzene

$$$$ Data

M. F.

C10H11NO3

Suppliers	Catalog Number
Maybridge	S12170
Apollo Scientific	OR28517

Database	Data ID
PubChem	5702449

M. W.

193.19924

CAS

18738-95-9

Similarity

N/A

ID: 85523

2-amino-5-(cyanosulfanyl)benzoic acid

$$$$ Data

M. F.

C8H6N2O2S

Suppliers	Catalog Number
Apollo Scientific	OR28519

Database	Data ID
PubChem	2795413

M. W.

194.21044

CAS

Similarity

N/A

ID: 85524

2,6-dichlorobenzoyl chloride

$$$$ Data More

M. F.

C7H3Cl3O

Suppliers	Catalog Number
Sigma Aldrich	D1291 187518 35423
Alfa Aesar	A14839
Apollo Scientific	OR2852

Database	Data ID
PubChem	78392

M. W.

209.45712

CAS

4659-45-4

Similarity

N/A

ID: 85525

1-oxo-2,3-dihydro-1H-inden-4-yl benzoate

$$$$ Data

M. F.

C16H12O3

Suppliers	Catalog Number
Sigma Aldrich	522007
Apollo Scientific	OR28520
A&J Pharmtech	AJA-O2551

Database	Data ID
PubChem	2732581

M. W.

252.26468

CAS

59725-61-0

Similarity

N/A

ID: 85526

1,3-dimethoxy-5-(2-nitroethenyl)benzene

$$$$ Data

M. F.

C10H11NO4

Suppliers	Catalog Number
Apollo Scientific	OR28521

Database	Data ID
PubChem	5375913

M. W.

209.19864

CAS

56723-84-3

Similarity

N/A

ID: 85527

1,3-dimethoxy-5-(2-nitroprop-1-en-1-yl)benzene

$$$$ Data

M. F.

C11H13NO4

Suppliers	Catalog Number
Apollo Scientific	OR28522

Database	Data ID
PubChem	5467733

M. W.

223.22522

CAS

18917-76-5

Similarity

N/A

ID: 85528

3-(3,5-dimethoxyphenyl)-1-(naphthalen-2-yl)prop-2-en-1-one

$$$$ Data

M. F.

C21H18O3

Suppliers	Catalog Number
Apollo Scientific	OR28523

Database	Data ID
PubChem	5712224

M. W.

318.36582

CAS

175205-23-9

Similarity

N/A

ID: 85529

5,6-diphenyl-3-(pyridin-2-yl)-1,2,4-triazine

$$$$ Data

M. F.

C20H14N4

Suppliers	Catalog Number
Sigma Aldrich	160415 82945
Alfa Aesar	B24601
Apollo Scientific	OR28524

Database	Data ID
PubChem	70588

M. W.

310.35196

CAS

1046-56-6

Similarity

N/A

ID: 85530

tris(pyridin-2-yl)-1,2,4-triazine

$$$$ Data

M. F.

C18H12N6

Suppliers	Catalog Number
Maybridge	S12786
Apollo Scientific	OR28525

Database	Data ID
PubChem	473557

M. W.

312.32808

CAS

1046-57-7

Similarity

N/A

ID: 85531

3-[(3-nitrophenyl)carbamoyl]prop-2-enoic acid

$$$$ Data

M. F.

C10H8N2O5

Suppliers	Catalog Number
Apollo Scientific	OR28526

Database	Data ID
PubChem	668200

M. W.

236.18092

CAS

36847-90-2

Similarity

N/A

ID: 85532

3-(4-chlorophenyl)-1-(5-chlorothiophen-2-yl)prop-2-en-1-one

$$$$ Data

M. F.

C13H8Cl2OS

Suppliers	Catalog Number
Apollo Scientific	OR28527

Database	Data ID
PubChem	5467680

M. W.

283.17302

CAS

96583-49-2

Similarity

N/A

ID: 85533

3-(1-benzofuran-2-yl)-1-(4-chlorophenyl)prop-2-en-1-one

$$$$ Data

M. F.

C17H11ClO2

Suppliers	Catalog Number
Apollo Scientific	OR28528

Database	Data ID
PubChem	5712225

M. W.

282.72104

CAS

Similarity

N/A

ID: 85534

4-[2-(3,5-dichlorophenyl)hydrazin-1-ylidene]-3,4-dihydro-1H-2-benzopyran-1,3-dio...

$$$$ Data

M. F.

C15H8Cl2N2O3

Suppliers	Catalog Number
Apollo Scientific	OR28529

Database	Data ID
PubChem	5712226

M. W.

335.14162

CAS

Similarity

N/A

ID: 85535

5,5-dimethyl-8-oxatricyclo[7.4.0.0^{2,7}]tridec-2(7)-en-3-one

$$$$ Data

M. F.

C14H20O2

Suppliers	Catalog Number
Apollo Scientific	OR28530

Database	Data ID
PubChem	2732728

M. W.

220.3074

CAS

92517-43-6

Similarity

N/A

ID: 85536

5,6-diphenyl-2,3-dihydropyrazine

$$$$ Data

M. F.

C16H14N2

Suppliers	Catalog Number
MP Biomedicals	05224347
Apollo Scientific	OR28531

Database	Data ID
PubChem	256218

M. W.

234.29576

CAS

1489-06-1

Similarity

N/A

ID: 85537

1-(1-benzofuran-2-yl)ethan-1-one

$$$$ Data More

M. F.

C10H8O2

Suppliers	Catalog Number
Sigma Aldrich	154377
Alfa Aesar	L13771
Apollo Scientific	OR28532

Database	Data ID
PubChem	15435

M. W.

160.16932

CAS

1646-26-0

Similarity

N/A

ID: 85538

3-(piperidin-1-yl)phenol

$$$$ Data

M. F.

C11H15NO

Suppliers	Catalog Number
Apollo Scientific	OR28533
Bide Pharmatech	BD89015
A&J Pharmtech	AJA-O4897

Database	Data ID
PubChem	229855

M. W.

177.2429

CAS

27292-50-8

Similarity

N/A

ID: 85539

1-nitro-3-[(E)-2-nitroethenyl]benzene

$$$$ Data

M. F.

C8H6N2O4

Suppliers	Catalog Number
Alfa Aesar	L12304
Apollo Scientific	OR28534

Database	Data ID
PubChem	5355017

M. W.

194.14424

CAS

882-26-8

Similarity

N/A

ID: 85540

1-(1-benzothiophen-3-ylmethyl)pyrrolidine

$$$$ Data

M. F.

C13H15NS

Suppliers	Catalog Number
Apollo Scientific	OR28535

Database	Data ID
PubChem	2795419

M. W.

217.3299

CAS

Similarity

N/A

ID: 85541

4-(1-benzothiophen-3-ylmethyl)morpholine

$$$$ Data

M. F.

C13H15NOS

Suppliers	Catalog Number
Apollo Scientific	OR28536

Database	Data ID
PubChem	737148

M. W.

233.3293

CAS

Similarity

N/A

ID: 85542

N-(2,5-dichlorophenyl)-2-(N-hydroxyimino)acetamide

$$$$ Data

M. F.

C8H6Cl2N2O2

Suppliers	Catalog Number
Maybridge	S13096
Apollo Scientific	OR28537

Database	Data ID
PubChem	9580348

M. W.

233.05144

CAS

17122-58-6

Similarity

N/A

ID: 85543

4,7-dichloro-2,3-dihydro-1H-indole-2,3-dione

$$$$ Data More

M. F.

C8H3Cl2NO2

Suppliers	Catalog Number
Sigma Aldrich	597813
Alfa Aesar	A14853
Apollo Scientific	OR28538

Database	Data ID
PubChem	2734793

M. W.

216.02092

CAS

18711-13-2

Similarity

N/A

ID: 85544

4-amino-6-chloro-2-(4-methylphenyl)-1,2-dihydroquinazolin-3-ium-3-olate

$$$$ Data

M. F.

C15H14ClN3O

Suppliers	Catalog Number
Apollo Scientific	OR28539

Database	Data ID
PubChem	2795421

M. W.

287.74416

CAS

Similarity

N/A

ID: 85545

(1-benzofuran-2-ylmethyl)dimethylamine

$$$$ Data

M. F.

C11H13NO

Suppliers	Catalog Number
Apollo Scientific	OR28540

Database	Data ID
PubChem	2795422

M. W.

175.22702

CAS

Similarity

N/A

ID: 85546

3-(2-chloroethyl)-7-methyl-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione

$$$$ Data

M. F.

C9H9ClN2O2S

Suppliers	Catalog Number
Apollo Scientific	OR28541

Database	Data ID
PubChem	2795426

M. W.

244.69796

CAS

Similarity

N/A

ID: 85547

5-chloro-7-methyl-2,3-dihydro-1H-indole-2,3-dione

$$$$ Data More

M. F.

C9H6ClNO2

Suppliers	Catalog Number
MP Biomedicals	05224074
Alfa Aesar	L11682
Maybridge	S13720

Database	Data ID
PubChem	366710

M. W.

195.60244

CAS

14389-06-1

Similarity

N/A

ID: 85548

2-acetyl-2,3-dihydro-1H-isoindole-1,3-dione

$$$$ Data

M. F.

C10H7NO3

Suppliers	Catalog Number
Sigma Aldrich	454842
Alfa Aesar	A14855
Apollo Scientific	OR28543

Database	Data ID
PubChem	243267

M. W.

189.16748

CAS

1971-49-9

Similarity

N/A

ID: 85549

1,14-dimethyl-4,10-dioxatetracyclo[5.5.2.0^{2,6}.0^{8,12}]tetradec-13-ene-3,5,9,...

$$$$ Data

M. F.

C14H12O6

Suppliers	Catalog Number
Apollo Scientific	OR28546

Database	Data ID
PubChem	2795429

M. W.

276.24148

CAS

32251-35-7

Similarity

N/A

ID: 85550

3,7-dimethyl-11,16-dioxapentacyclo[6.5.5.0^{1,6}.0^{9,13}.0^{14,18}]octadec-6-en...

$$$$ Data

M. F.

C18H18O6

Suppliers	Catalog Number
Apollo Scientific	OR28547

Database	Data ID
PubChem	421973

M. W.

330.33192

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