Chembase list of 866358 unique molecular structures

$$$$ Data More

M. F.

C5H10O4

Suppliers	Catalog Number
Sigma Aldrich	294632
MP Biomedicals	05213534
Alfa Aesar	A12171

Database	Data ID
PubChem	66647

M. W.

134.1305

CAS

89-91-8

Similarity

N/A

ID: 110052

methyl 3-(3,5-dimethylmorpholin-4-yl)-2-methylpropanoate

$$$$ Data

M. F.

C11H21NO3

Suppliers	Catalog Number
MP Biomedicals	05213536

Database	Data ID
PubChem	90955

M. W.

215.28934

CAS

23573-99-1

Similarity

N/A

ID: 110053

2-[(4-chlorophenyl)sulfanyl]acetamide

$$$$ Data

M. F.

C8H8ClNOS

Suppliers	Catalog Number
MP Biomedicals	05213541

Database	Data ID
PubChem	242267

M. W.

201.67322

CAS

30893-65-3

Similarity

N/A

ID: 110054

2-[2-(2-aminoacetamido)acetamido]-3-phenylpropanoic acid

$$$$ Data

M. F.

C13H17N3O4

Suppliers	Catalog Number
MP Biomedicals	05213543

Database	Data ID
PubChem	294564

M. W.

279.29178

CAS

6234-26-0

Similarity

N/A

ID: 110055

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

$$$$ Data

M. F.

C8H12N4O3

Suppliers	Catalog Number
MP Biomedicals	05213544

Database	Data ID
PubChem	7023107

M. W.

212.20588

CAS

3486-76-8

Similarity

N/A

ID: 110056

hafnium

$$$$ Data

M. F.

Suppliers	Catalog Number
Sigma Aldrich	266752 266809 266760 (more...)
MP Biomedicals	05213546
Alfa Aesar	42982 10204 10201 (more...)

Database	Data ID
PubChem	23986

M. W.

178.49

CAS

7440-58-6

Similarity

N/A

ID: 110057

methanidylidynehafniumylium

$$$$ Data

M. F.

CHf

Suppliers	Catalog Number
Sigma Aldrich	399574 594636
MP Biomedicals	05213547

Database	Data ID
Wikipedia	Hafnium(IV)_carbide
PubChem	16212551

M. W.

190.5007

CAS

11129-37-6

Similarity

N/A

ID: 110058

(2R)-2-(2-aminoacetamido)-3-hydroxybutanoic acid

$$$$ Data

M. F.

C6H12N2O4

Suppliers	Catalog Number
MP Biomedicals	05213553

Database	Data ID
PubChem	21141078

M. W.

176.17048

CAS

74807-44-6

Similarity

N/A

ID: 110059

2-methoxyphenyl pyridine-3-carboxylate

$$$$ Data

M. F.

C13H11NO3

Suppliers	Catalog Number
MP Biomedicals	05213563

Database	Data ID
PubChem	84772

M. W.

229.23134

CAS

15057-98-4

Similarity

N/A

ID: 110060

tribromogold

$$$$ Data

M. F.

AuBr3

Suppliers	Catalog Number
Sigma Aldrich	398470
MP Biomedicals	05213565

Database	Data ID
PubChem	82525

M. W.

436.67855

CAS

10294-28-7

Similarity

N/A

ID: 110061

potassium tetrachlorogolduide

$$$$ Data

M. F.

AuCl4K

Suppliers	Catalog Number
Sigma Aldrich	334545 450235
MP Biomedicals	05213566
Alfa Aesar	12150

Database	Data ID
PubChem	11337898

M. W.

377.87685

CAS

27988-75-6

Similarity

N/A

ID: 110062

2-[(carbamoylamino)imino]acetic acid

$$$$ Data

M. F.

C3H5N3O3

Suppliers	Catalog Number
MP Biomedicals	05213567

Database	Data ID
PubChem	9576145

M. W.

131.0901

CAS

928-73-4

Similarity

N/A

ID: 110063

2-methylnonan-3-one

$$$$ Data

M. F.

C10H20O

Suppliers	Catalog Number
MP Biomedicals	05213569

Database	Data ID
PubChem	79518

M. W.

156.2652

CAS

5445-31-8

Similarity

N/A

ID: 110064

undecan-4-one

$$$$ Data

M. F.

C11H22O

Suppliers	Catalog Number
MP Biomedicals	05213578
Alfa Aesar	B20135

Database	Data ID
PubChem	84467

M. W.

170.29178

CAS

14476-37-0

Similarity

N/A

ID: 110065

8,8-dimethoxy-2,6-dimethyloctan-2-ol

$$$$ Data

M. F.

C12H26O3

Suppliers	Catalog Number
Sigma Aldrich	W258504
MP Biomedicals	05213583

Database	Data ID
PubChem	8863

M. W.

218.33304

CAS

141-92-4

Similarity

N/A

ID: 110066

2-cyclopentylethan-1-ol cyclopentane iron

$$$$ Data

M. F.

C12H24FeO

Suppliers	Catalog Number
MP Biomedicals	05213600

Database	Data ID
PubChem	25021774

M. W.

240.16336

CAS

53954-85-1

Similarity

N/A

ID: 110067

2-(2-ethyl-1-hydroxybutyl)cyclohexan-1-ol

$$$$ Data

M. F.

C12H24O2

Suppliers	Catalog Number
MP Biomedicals	05213608

Database	Data ID
PubChem	246925

M. W.

200.31776

CAS

6628-30-4

Similarity

N/A

ID: 110068

2-hydroxybutanenitrile

$$$$ Data

M. F.

C4H7NO

Suppliers	Catalog Number
Sigma Aldrich	81880
MP Biomedicals	05213614
Enamine	EN300-96603

Database	Data ID
PubChem	20553

M. W.

85.10448

CAS

4476-02-2

Similarity

N/A

ID: 110069

2-(2-hydroxyethyl)-2,3-dihydro-1H-isoindole-1,3-dione

$$$$ Data More

M. F.

C10H9NO3

Suppliers	Catalog Number
Sigma Aldrich	138339 54440
MP Biomedicals	05213619
Alfa Aesar	A14259

Database	Data ID
PubChem	77499

M. W.

191.18336

CAS

3891/7/4

Similarity

N/A

ID: 110070

(3R)-3-hydroxy-4,4-dimethyloxolan-2-one

$$$$ Data More

M. F.

C6H10O3

Suppliers	Catalog Number
Sigma Aldrich	P2625 237817 55200
MP Biomedicals	05213625
Alfa Aesar	L15983

Database	Data ID
PubChem	439368

M. W.

130.1418

CAS

599-04-2

Similarity

N/A

ID: 110071

dipotassium 3-oxo-2-(3-oxo-5-sulfonato-2,3-dihydro-1H-indol-2-ylidene)-2,3-dihyd...

$$$$ Data

M. F.

C16H8K2N2O8S2

Suppliers	Catalog Number
MP Biomedicals	05213643

Database	Data ID
PubChem	71299772

M. W.

498.56992

CAS

28606-02-2

Similarity

N/A

ID: 110072

indium(3+) ion tris((2Z)-4-oxopent-2-en-2-olate)

$$$$ Data

M. F.

C15H21InO6

Suppliers	Catalog Number
MP Biomedicals	05213645
Alfa Aesar	13794

Database	Data ID
PubChem	6433601

M. W.

412.14164

CAS

14405-45-9

Similarity

N/A

ID: 110073

2,6-diamino-5-hydroxyhexanoic acid hydrochloride

$$$$ Data

M. F.

C6H15ClN2O3

Suppliers	Catalog Number
Sigma Aldrich	H0377 859370 55500
MP Biomedicals	05213647
TRC	H943900

Database	Data ID
PubChem	2724399

M. W.

198.6479

CAS

13204-98-3

Similarity

N/A

ID: 110074

1-chloro-4-isocyanato-2-(trifluoromethyl)benzene

$$$$ Data More

M. F.

C8H3ClF3NO

Suppliers	Catalog Number
Sigma Aldrich	374881
MP Biomedicals	05213652
Alfa Aesar	L12016

Database	Data ID
PubChem	2733265

M. W.

221.5637296

CAS

327-78-6

Similarity

N/A

ID: 110075

3-hydroxy-4-methyl-2-nitrobenzoic acid

$$$$ Data

M. F.

C8H7NO5

Suppliers	Catalog Number
Sigma Aldrich	H41455
MP Biomedicals	05213655

Database	Data ID
PubChem	81374

M. W.

197.14488

CAS

6946-15-2

Similarity

N/A

ID: 110076

7-methyl-7H-purin-6-ol

$$$$ Data

M. F.

C6H6N4O

Suppliers	Catalog Number
MP Biomedicals	05213658

Database	Data ID
PubChem	66089

M. W.

150.13804

CAS

Similarity

N/A

ID: 110077

9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-3H-puri...

$$$$ Data

M. F.

C10H12N4O5

Suppliers	Catalog Number
MP Biomedicals	05213661

Database	Data ID
Wikipedia	Inosine
PubChem	6021

M. W.

268.22608

CAS

58-63-9

Similarity

N/A

ID: 110078

2-(1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide

$$$$ Data

M. F.

C12H12N2O2

Suppliers	Catalog Number
MP Biomedicals	05213662

Database	Data ID
PubChem	34471

M. W.

216.23588

CAS

Similarity

N/A

ID: 110079

4,6-dimethyl-2-oxo-2H-pyran-5-carboxylic acid

$$$$ Data More

M. F.

C8H8O4

Suppliers	Catalog Number
Sigma Aldrich	I16404
MP Biomedicals	05213667
Life Chemicals	F0918-7095

Database	Data ID
PubChem	95775

M. W.

168.14672

CAS

480-65-9

Similarity

N/A

ID: 110080

2-(hydroxymethyl)-2-nitropropane-1,3-diol

$$$$ Data More

M. F.

C4H9NO5

Suppliers	Catalog Number
Sigma Aldrich	108189 93360
MP Biomedicals	05213670
Alfa Aesar	L13349

Database	Data ID
PubChem	31337

M. W.

151.11796

CAS

126-11-4

Similarity

N/A

ID: 110081

benzyl 2-hydroxybenzoate

$$$$ Data More

M. F.

C14H12O3

Suppliers	Catalog Number
Sigma Aldrich	112380 W215104 84260
MP Biomedicals	05213677
Alfa Aesar	A16184

Database	Data ID
Wikipedia	Benzyl_salicylate
PubChem	8363

M. W.

228.24328

CAS

118-58-1

Similarity

N/A

ID: 110082

disodium 4-hydroxy-7-[({5-hydroxy-6-[(E)-2-phenyldiazen-1-yl]-7-sulfonatonaphtha...

$$$$ Data

M. F.

C33H22N6Na2O9S2

Suppliers	Catalog Number
MP Biomedicals	05213678

Database	Data ID
PubChem	25113382

M. W.

756.67212

CAS

3626-36-6

Similarity

N/A

ID: 110083

diphenylimidazolidine-2,4,5-trione

$$$$ Data

M. F.

C15H10N2O3

Suppliers	Catalog Number
MP Biomedicals	05213679

Database	Data ID
PubChem	262505

M. W.

266.2515

CAS

6488-59-1

Similarity

N/A

ID: 110084

3,7-dimethyloct-6-en-1-yl 2-methylbut-2-enoate

$$$$ Data

M. F.

C15H26O2

Suppliers	Catalog Number
MP Biomedicals	05213681

Database	Data ID
PubChem	6386037

M. W.

238.36574

CAS

24717-85-9

Similarity

N/A

ID: 110085

benzyl propanoate

$$$$ Data More

M. F.

C10H12O2

Suppliers	Catalog Number
Sigma Aldrich	W215007 W215015
MP Biomedicals	05213683
Alfa Aesar	B23186

Database	Data ID
PubChem	31219

M. W.

164.20108

CAS

122-63-4

Similarity

N/A

ID: 110086

1,4-dibenzyl butanedioate

$$$$ Data

M. F.

C18H18O4

Suppliers	Catalog Number
MP Biomedicals	05213686
Alfa Aesar	B25257

Database	Data ID
PubChem	7653

M. W.

298.33312

CAS

103-43-5

Similarity

N/A

ID: 110087

[4-(aminomethyl)cyclohexyl]methanamine

$$$$ Data

M. F.

C8H18N2

Suppliers	Catalog Number
MP Biomedicals	05213690
Alfa Aesar	L13407

Database	Data ID
PubChem	17354

M. W.

142.24192

CAS

2549-93-1

Similarity

N/A

ID: 110088

({[(oxobismuthanyl)oxy]carbonyl}oxy)bismuthanone

$$$$ Data

M. F.

CBi2O5

Suppliers	Catalog Number
Sigma Aldrich	95376 10317 278947
MP Biomedicals	05213703
Alfa Aesar	A12483 33216

Database	Data ID
PubChem	16683095

M. W.

509.9685

CAS

5892-10-4

Similarity

N/A

ID: 110089

dibismuth(3+) ion triselandiide

$$$$ Data

M. F.

Bi2Se3

Suppliers	Catalog Number
MP Biomedicals	05213704
Alfa Aesar	13126

Database	Data ID
PubChem	166599

M. W.

654.8408

CAS

12068-69-8

Similarity

N/A

ID: 110090

dibismuth(3+) ion trisulfate

$$$$ Data

M. F.

Bi2O12S3

Suppliers	Catalog Number
MP Biomedicals	05213705

Database	Data ID
PubChem	198144

M. W.

706.1486

CAS

7787-68-0

Similarity

N/A

ID: 110091

beryllium

$$$$ Data

M. F.

Suppliers	Catalog Number
Sigma Aldrich	459992 265063 460001 (more...)
MP Biomedicals	05214391 05213713
Alfa Aesar	12853 10108 41643 (more...)

Database	Data ID
PubChem	5460467

M. W.

9.012182

CAS

7440-41-7

Similarity

N/A

ID: 110092

methyl({2-[methylbis(prop-2-en-1-yl)azaniumyl]ethyl})bis(prop-2-en-1-yl)azanium ...

$$$$ Data

M. F.

C16H30Br2N2

Suppliers	Catalog Number
MP Biomedicals	05213716

Database	Data ID
PubChem	6432500

M. W.

410.2308

CAS

51523-43-4

Similarity

N/A

ID: 110093

1-(cyclohexylsulfanyl)ethan-1-one

$$$$ Data

M. F.

C8H14OS

Suppliers	Catalog Number
MP Biomedicals	05213719

Database	Data ID
PubChem	10964788

M. W.

158.26116

CAS

Similarity

N/A

ID: 110094

1-methoxy-4-[1-(4-methoxyphenyl)-1-oxo-1$l^{5},2-diazen-2-yl]benzene

$$$$ Data

M. F.

C14H14N2O3

Suppliers	Catalog Number
Sigma Aldrich	A97009
MP Biomedicals	05213724

Database	Data ID
Wikipedia	Para-Azoxyanisole
PubChem	15277

M. W.

258.27256

CAS

1562-94-3

Similarity

N/A

ID: 110095

1-[1-oxo-1-(2-phenylphenyl)-1$l^{5},2-diazen-2-yl]-2-phenylbenzene

$$$$ Data

M. F.

C24H18N2O

Suppliers	Catalog Number
MP Biomedicals	05213725

Database	Data ID
PubChem	315594

M. W.

350.41252

CAS

7334-10-3

Similarity

N/A

ID: 110096

(2R)-2-amino-3-{[(2R)-2-amino-2-[(naphthalen-2-yl)carbamoyl]ethyl]disulfanyl}-N-...

$$$$ Data

M. F.

C26H26N4O2S2

Suppliers	Catalog Number
Sigma Aldrich	C9005 30260
MP Biomedicals	05213730

Database	Data ID
PubChem	6331411

M. W.

490.64024

CAS

1259-69-4

Similarity

N/A

ID: 110097

ethyl cyclohexanecarboxylate

$$$$ Data

M. F.

C9H16O2

Suppliers	Catalog Number
MP Biomedicals	05213732
Alfa Aesar	L02622

Database	Data ID
PubChem	18686

M. W.

156.22214

CAS

3289-28-9

Similarity

N/A

ID: 110098

ethyl 2-cyclohexylacetate

$$$$ Data

M. F.

C10H18O2

Suppliers	Catalog Number
Sigma Aldrich	E20705
MP Biomedicals	05213738
Bide Pharmatech	BD129315

Database	Data ID
PubChem	21595

M. W.

170.24872

CAS

5452-75-5

Similarity

N/A

ID: 110099

2-cyano-3-phenylprop-2-enoic acid

$$$$ Data

M. F.

C10H7NO2

Suppliers	Catalog Number
MP Biomedicals	05213740

Database	Data ID
PubChem	702282

M. W.

173.16808

CAS

1011-92-3

Similarity

N/A

ID: 110100

3-methylhex-1-yn-3-ol

$$$$ Data

M. F.

C7H12O

Suppliers	Catalog Number
MP Biomedicals	05213742

Database	Data ID
PubChem	20347

M. W.

112.16958

CAS

4339-05-3

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