Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C2H5ClO3S

Suppliers	Catalog Number
MP Biomedicals	05212268

Database	Data ID
PubChem	28865

M. W.

144.5773

CAS

15484-44-3

Similarity

N/A

ID: 109702

3-ethylheptan-4-one

$$$$ Data

M. F.

C9H18O

Suppliers	Catalog Number
MP Biomedicals	05212269

Database	Data ID
PubChem	73713

M. W.

142.23862

CAS

1528-25-2

Similarity

N/A

ID: 109703

2-{[5-hydroxy-2-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]...

$$$$ Data

M. F.

C18H32O15

Suppliers	Catalog Number
MP Biomedicals	05212270

Database	Data ID
PubChem	44135615

M. W.

488.43768

CAS

1402-10-4

Similarity

N/A

ID: 109704

2,2,5,5-tetramethylimidazolidine-4-thione

$$$$ Data

M. F.

C7H14N2S

Suppliers	Catalog Number
MP Biomedicals	05212273

Database	Data ID
PubChem	1397155

M. W.

158.26446

CAS

2582-16-3

Similarity

N/A

ID: 109705

2-ethylhexyl acetate

$$$$ Data More

M. F.

C10H20O2

Suppliers	Catalog Number
Sigma Aldrich	W514705 537497
MP Biomedicals	05212277
Alfa Aesar	B23257

Database	Data ID
PubChem	7635

M. W.

172.2646

CAS

103-09-3

Similarity

N/A

ID: 109706

2,2-dimethylpropane-1,3-diol

$$$$ Data More

M. F.

C5H12O2

Suppliers	Catalog Number
Sigma Aldrich	126586 538256 41510
MP Biomedicals	05212280
Alfa Aesar	A10340

Database	Data ID
Wikipedia	Neopentyl_glycol
PubChem	31344

M. W.

104.14758

CAS

126-30-7

Similarity

N/A

ID: 109707

ethyl 4-hydroxy-2-oxo-2H-chromene-3-carboxylate

$$$$ Data

M. F.

C12H10O5

Suppliers	Catalog Number
MP Biomedicals	05212283
Life Chemicals	F0920-0123

Database	Data ID
PubChem	54684328

M. W.

234.2048

CAS

1821-20-1

Similarity

N/A

ID: 109708

1,7-dimethyl heptanedioate

$$$$ Data

M. F.

C9H16O4

Suppliers	Catalog Number
Sigma Aldrich	180068 80623
MP Biomedicals	05212289
Alfa Aesar	B22026

Database	Data ID
PubChem	74416

M. W.

188.22094

CAS

1732-08-7

Similarity

N/A

ID: 109709

2,6-dimethyl-1,4-oxathiane

$$$$ Data

M. F.

C6H12OS

Suppliers	Catalog Number
MP Biomedicals	05212291

Database	Data ID
PubChem	231901

M. W.

132.22388

CAS

71172-25-3

Similarity

N/A

ID: 109710

5-methyl-1,3-dihydro-2-benzofuran-1,3-dione

$$$$ Data

M. F.

C9H6O3

Suppliers	Catalog Number
Sigma Aldrich	348317
MP Biomedicals	05212299

Database	Data ID
PubChem	88069

M. W.

162.14214

CAS

19438-61-0

Similarity

N/A

ID: 109711

4-[4-(dimethylamino)benzoyl]-N,N-dimethylaniline

$$$$ Data More

M. F.

C17H20N2O

Suppliers	Catalog Number
Sigma Aldrich	147834 69772 69770
MP Biomedicals	05212306
Alfa Aesar	A11889

Database	Data ID
PubChem	7031

M. W.

268.3535

CAS

90-94-8

Similarity

N/A

ID: 109712

bismuth(3+) ion 2-hydroxypropane-1,2,3-tricarboxylate

$$$$ Data

M. F.

C6H5BiO7

Suppliers	Catalog Number
MP Biomedicals	05212307
Alfa Aesar	40398

Database	Data ID
PubChem	13135

M. W.

398.0801

CAS

813-93-4

Similarity

N/A

ID: 109713

chlorobismuthanone

$$$$ Data

M. F.

BiClO

Suppliers	Catalog Number
Sigma Aldrich	229482 307610
MP Biomedicals	05212308
Alfa Aesar	17131

Database	Data ID
Wikipedia	Bismuth_oxychloride
PubChem	6328152

M. W.

260.4328

CAS

7787-59-9

Similarity

N/A

ID: 109714

bismuth(3+) ion sodium bis(2,3-dihydroxybutanedioate)

$$$$ Data

M. F.

C8H8BiNaO12

Suppliers	Catalog Number
MP Biomedicals	05212309

Database	Data ID
PubChem	134954

M. W.

528.11209

CAS

31586-77-3

Similarity

N/A

ID: 109715

tricyclo[3.3.1.1^{3,7}]tetrabismatellurane

$$$$ Data

M. F.

Bi4Te6

Suppliers	Catalog Number
MP Biomedicals	05212310

Database	Data ID
PubChem	24884204

M. W.

1601.5216

CAS

1304-82-1

Similarity

N/A

ID: 109716

1,3,4-thiadiazolidine-2,5-dithione

$$$$ Data

M. F.

C2H2N2S3

Suppliers	Catalog Number
MP Biomedicals	05212313

Database	Data ID
PubChem	2723630

M. W.

150.24568

CAS

1072-71-5

Similarity

N/A

ID: 109717

4-[(4-hydroxyphenyl)methyl]phenol

$$$$ Data More

M. F.

C13H12O2

Suppliers	Catalog Number
Sigma Aldrich	B47006 14930
MP Biomedicals	05212316
Alfa Aesar	A11417

Database	Data ID
PubChem	12111

M. W.

200.23318

CAS

620-92-8

Similarity

N/A

ID: 109718

[4-(dimethylamino)but-2-yn-1-yl]dimethylamine

$$$$ Data

M. F.

C8H16N2

Suppliers	Catalog Number
MP Biomedicals	05212319

Database	Data ID
PubChem	66075

M. W.

140.22604

CAS

111-53-5

Similarity

N/A

ID: 109719

(2S)-2-amino-3-(4-hydroxy-3-methoxyphenyl)propanoic acid

$$$$ Data

M. F.

C10H13NO4

Suppliers	Catalog Number
Sigma Aldrich	M4255
MP Biomedicals	05212326

Database	Data ID
PubChem	9307

M. W.

211.21452

CAS

300-48-1

Similarity

N/A

ID: 109720

4-oxo-2H,4H-benzo[d]1,3-dioxa-2-bismacyclohexan-2-yl hydrate

$$$$ Data

M. F.

C7H6BiO4

Suppliers	Catalog Number
MP Biomedicals	05212329

Database	Data ID
PubChem	18502837

M. W.

363.10054

CAS

14882-18-9

Similarity

N/A

ID: 109721

dibismuth(3+) ion (2R,3R)-2,3-dihydroxybutanedioate bis((2R,3S)-2,3-dihydroxybut...

$$$$ Data

M. F.

C12H12Bi2O18

Suppliers	Catalog Number
MP Biomedicals	05212330

Database	Data ID
PubChem	71299665

M. W.

862.17368

CAS

6591-56-6

Similarity

N/A

ID: 109722

bismuth(3+) ion phosphate

$$$$ Data

M. F.

BiO4P

Suppliers	Catalog Number
Sigma Aldrich	483311
MP Biomedicals	05221750 05212331
Alfa Aesar	39380

Database	Data ID
PubChem	9839429

M. W.

303.951761

CAS

10049-01-1

Similarity

N/A

ID: 109723

4-(benzyloxy)pyridin-1-ium-1-olate

$$$$ Data More

M. F.

C12H11NO2

Suppliers	Catalog Number
Sigma Aldrich	410608
MP Biomedicals	05212334
Alfa Aesar	L17946

Database	Data ID
PubChem	295871

M. W.

201.22124

CAS

2683-66-1

Similarity

N/A

ID: 109724

2-benzylphenol

$$$$ Data More

M. F.

C13H12O

Suppliers	Catalog Number
Sigma Aldrich	142522 13761
MP Biomedicals	05212339
Alfa Aesar	B22246

Database	Data ID
PubChem	24216

M. W.

184.23378

CAS

28994-41-4

Similarity

N/A

ID: 109725

N-(pyridin-2-yl)pyridin-2-amine

$$$$ Data

M. F.

C10H9N3

Suppliers	Catalog Number
Sigma Aldrich	D216402
MP Biomedicals	05212350
Enamine	EN300-17492

Database	Data ID
PubChem	14547

M. W.

171.19856

CAS

1202-34-2

Similarity

N/A

ID: 109726

1,4-bis(2-methylbenzenesulfonyl)piperazine

$$$$ Data

M. F.

C18H22N2O4S2

Suppliers	Catalog Number
MP Biomedicals	05212352

Database	Data ID
PubChem	258247

M. W.

394.50828

CAS

Similarity

N/A

ID: 109727

prop-1-en-2-yl acetate

$$$$ Data

M. F.

C5H8O2

Suppliers	Catalog Number
Sigma Aldrich	117781 240982 10914 (more...)
MP Biomedicals	05212354
Alfa Aesar	A15618

Database	Data ID
PubChem	7916

M. W.

100.11582

CAS

108-22-5

Similarity

N/A

ID: 109728

2-(propan-2-yl)phenol

$$$$ Data More

M. F.

C9H12O

Suppliers	Catalog Number
Sigma Aldrich	W346101 129526 59720
MP Biomedicals	05212355
Alfa Aesar	A12027

Database	Data ID
PubChem	6943

M. W.

136.19098

CAS

88-69-7

Similarity

N/A

ID: 109729

benzyl 2-phenylacetate

$$$$ Data

M. F.

C15H14O2

Suppliers	Catalog Number
Sigma Aldrich	W214906
MP Biomedicals	05212357

Database	Data ID
PubChem	60999

M. W.

226.27046

CAS

102-16-9

Similarity

N/A

ID: 109730

4-(benzyloxy)phenyl octadecanoate

$$$$ Data

M. F.

C31H46O3

Suppliers	Catalog Number
MP Biomedicals	05212361

Database	Data ID
PubChem	246519

M. W.

466.69514

CAS

6935-23-5

Similarity

N/A

ID: 109731

lithium(1+) ion octadecanoate

$$$$ Data

M. F.

C18H35LiO2

Suppliers	Catalog Number
MP Biomedicals	05212370
Alfa Aesar	39335

Database	Data ID
Wikipedia	Lithium_stearate
PubChem	517357

M. W.

290.4103

CAS

4485-12-5

Similarity

N/A

ID: 109732

benzyl 3-methylbutanoate

$$$$ Data

M. F.

C12H16O2

Suppliers	Catalog Number
Sigma Aldrich	W215201
MP Biomedicals	05212374
Alfa Aesar	B24852

Database	Data ID
PubChem	7651

M. W.

192.25424

CAS

103-38-8

Similarity

N/A

ID: 109733

strontium(2+) ion dibromate

$$$$ Data

M. F.

Br2O6Sr

Suppliers	Catalog Number
MP Biomedicals	05212375

Database	Data ID
Wikipedia	Strontium_bromate
PubChem	9819472

M. W.

343.4244

CAS

14519-18-7

Similarity

N/A

ID: 109734

2-benzylpropanedioic acid

$$$$ Data More

M. F.

C10H10O4

Suppliers	Catalog Number
Sigma Aldrich	100773 13530
MP Biomedicals	05212376
InterBioScreen	BB_SC-6679

Database	Data ID
PubChem	12031

M. W.

194.184

CAS

616-75-1

Similarity

N/A

ID: 109735

1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl acetate

$$$$ Data

M. F.

C12H20O2

Suppliers	Catalog Number
MP Biomedicals	05212377
Alfa Aesar	L11748 B22957
InterBioScreen	BB_NC-0749 STOCK1N-06533

Database	Data ID
PubChem	6448

M. W.

196.286

CAS

5655-61-8

Similarity

N/A

ID: 109736

1,4-bis(4-methylbenzenesulfonyl)piperazine

$$$$ Data

M. F.

C18H22N2O4S2

Suppliers	Catalog Number
MP Biomedicals	05212380

Database	Data ID
PubChem	235632

M. W.

394.50828

CAS

17046-84-3

Similarity

N/A

ID: 109737

tributyl[(tributylstannyl)oxy]stannane

$$$$ Data

M. F.

C24H54OSn2

Suppliers	Catalog Number
Sigma Aldrich	B53383 15210 45669 (more...)
MP Biomedicals	05212382

Database	Data ID
Wikipedia	Tributyltin_oxide
PubChem	16682746

M. W.

596.08696

CAS

56-35-9

Similarity

N/A

ID: 109738

1,4-bis[(2,4,6-triethylphenyl)amino]-9,10-dihydroanthracene-9,10-dione

$$$$ Data

M. F.

C38H42N2O2

Suppliers	Catalog Number
MP Biomedicals	05212383

Database	Data ID
PubChem	67007

M. W.

558.75228

CAS

Similarity

N/A

ID: 109739

methyl (1S,15R,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^...

$$$$ Data More

M. F.

C21H24N2O3

Suppliers	Catalog Number
BioBioPha	BBP00004
MP Biomedicals	05212392
TRC	R127000

Database	Data ID
PubChem	441975

M. W.

352.42686

CAS

483-04-5

Similarity

N/A

ID: 109740

1,2,3-triethyl 2-(acetyloxy)propane-1,2,3-tricarboxylate

$$$$ Data

M. F.

C14H22O8

Suppliers	Catalog Number
Sigma Aldrich	388351 PHR1157 68536
MP Biomedicals	05212399

Database	Data ID
PubChem	6504

M. W.

318.31968

CAS

77-89-4

Similarity

N/A

ID: 109741

pentane-2,3-dione

$$$$ Data

M. F.

C5H8O2

Suppliers	Catalog Number
Sigma Aldrich	241962
MP Biomedicals	05212404
Alfa Aesar	A13116

Database	Data ID
PubChem	11747

M. W.

100.11582

CAS

600-14-6

Similarity

N/A

ID: 109742

1H-purin-6-amine; phosphoric acid

$$$$ Data

M. F.

C5H8N5O4P

Suppliers	Catalog Number
MP Biomedicals	05212407

Database	Data ID
PubChem	198277

M. W.

233.121881

CAS

52175-10-7

Similarity

N/A

ID: 109743

2-(3-aminopropanamido)-3-phenylpropanoic acid

$$$$ Data

M. F.

C12H16N2O3

Suppliers	Catalog Number
MP Biomedicals	05212408

Database	Data ID
PubChem	351820

M. W.

236.26704

CAS

19771-40-5

Similarity

N/A

ID: 109744

2-(2-aminopropanamido)-3-hydroxypropanoic acid

$$$$ Data

M. F.

C6H12N2O4

Suppliers	Catalog Number
MP Biomedicals	05212409
InterBioScreen	STOCK1N-22740

Database	Data ID
PubChem	96821

M. W.

176.17048

CAS

3062-19-9

Similarity

N/A

ID: 109745

(9R,14R,18R)-13-ethyl-8-methyl-8,15-diazahexacyclo[14.2.1.0^{1,9}.0^{2,7}.0^{10,...

$$$$ Data

M. F.

C20H26N2O2

Suppliers	Catalog Number
MP Biomedicals	05212414

Database	Data ID
PubChem	20367

M. W.

326.43264

CAS

4360-12-7

Similarity

N/A

ID: 109746

2,6-dimethoxy-4-(prop-2-en-1-yl)phenol

$$$$ Data

M. F.

C11H14O3

Suppliers	Catalog Number
Sigma Aldrich	A31601 W365505
MP Biomedicals	05212416
Alfa Aesar	B21981

Database	Data ID
PubChem	226486

M. W.

194.22706

CAS

6627-88-9

Similarity

N/A

ID: 109747

chlorodimethylprop-2-en-1-ylsilane

$$$$ Data

M. F.

C5H11ClSi

Suppliers	Catalog Number
Sigma Aldrich	234982 05940
MP Biomedicals	05212417
Alfa Aesar	B22237

Database	Data ID
PubChem	77646

M. W.

134.67934

CAS

4028-23-3

Similarity

N/A

ID: 109748

(2S)-2-(3-aminopropanamido)-3-(1H-imidazol-4-yl)propanoic acid

$$$$ Data

M. F.

C9H14N4O3

Suppliers	Catalog Number
Sigma Aldrich	C9625
MP Biomedicals	05212418

Database	Data ID
Wikipedia	Carnosine
PubChem	439224

M. W.

226.23246

CAS

305-84-0

Similarity

N/A

ID: 109749

prop-2-en-1-yl decanoate

$$$$ Data

M. F.

C13H24O2

Suppliers	Catalog Number
MP Biomedicals	05212430

Database	Data ID
PubChem	93831

M. W.

212.32846

CAS

57856-81-2

Similarity

N/A

ID: 109750

disodium 5-methyl-2-({4-[(4-methyl-2-sulfonatophenyl)amino]-9,10-dioxo-9,10-dihy...

$$$$ Data

M. F.

C28H20N2Na2O8S2

Suppliers	Catalog Number
Sigma Aldrich	214566
MP Biomedicals	05212433

Database	Data ID
PubChem	20431

M. W.

622.57654

CAS

4403-90-1

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