Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C7H9NO3

Suppliers	Catalog Number
Apollo Scientific	OR13339

Database	Data ID
PubChem	1382050

M. W.

155.15126

CAS

Similarity

N/A

ID: 76652

4-methyl-3-(3-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)benzoic acid

$$$$ Data

M. F.

C13H11NO4

Suppliers	Catalog Number
Apollo Scientific	OR13340

Database	Data ID
PubChem	1263636

M. W.

245.23074

CAS

Similarity

N/A

ID: 76653

4-(3-chloro-2,5-dioxopyrrolidin-1-yl)phenyl acetate

$$$$ Data

M. F.

C12H10ClNO4

Suppliers	Catalog Number
Apollo Scientific	OR13341

Database	Data ID
PubChem	3161310

M. W.

267.6651

CAS

Similarity

N/A

ID: 76654

3-amino-3-(4-propoxyphenyl)propanoic acid

$$$$ Data

M. F.

C12H17NO3

Suppliers	Catalog Number
Apollo Scientific	OR13349

Database	Data ID
PubChem	2835309

M. W.

223.26828

CAS

Similarity

N/A

ID: 76655

(2,6-dibromo-3-methoxyphenyl)boronic acid

$$$$ Data

M. F.

C7H7BBr2O3

Suppliers	Catalog Number
Alfa Aesar	H53261
Apollo Scientific	OR1335
A&J Pharmtech	AJA-O29603

Database	Data ID
PubChem	44118535

M. W.

309.74768

CAS

850567-93-0

Similarity

N/A

ID: 76656

3-amino-3-[4-(carbamoylmethoxy)phenyl]propanoic acid

$$$$ Data

M. F.

C11H14N2O4

Suppliers	Catalog Number
Apollo Scientific	OR13353

Database	Data ID
PubChem	23767457

M. W.

238.23986

CAS

Similarity

N/A

ID: 76657

3-amino-3-(2-chloro-5-nitrophenyl)propanoic acid

$$$$ Data

M. F.

C9H9ClN2O4

Suppliers	Catalog Number
Apollo Scientific	OR13355

Database	Data ID
PubChem	4442872

M. W.

244.63176

CAS

Similarity

N/A

ID: 76658

3-acetamido-3-(4-nitrophenyl)propanoic acid

$$$$ Data

M. F.

C11H12N2O5

Suppliers	Catalog Number
Apollo Scientific	OR13356
InterBioScreen	BB_NC-0515

Database	Data ID
PubChem	2856612

M. W.

252.22338

CAS

Similarity

N/A

ID: 76659

(2S)-1-benzylpyrrolidine-2-carboxylic acid

$$$$ Data

M. F.

C12H15NO2

Suppliers	Catalog Number
ChemBridge	4045604
Apollo Scientific	OR13357
TRC	B288640

Database	Data ID
PubChem	728719

M. W.

205.253

CAS

31795-93-4

Similarity

N/A

ID: 76660

3-(2-hydroxyphenyl)-1-methyl-4,6-dioxo-5-phenyl-octahydropyrrolo[3,4-c]pyrrole-1...

$$$$ Data

M. F.

C20H18N2O5

Suppliers	Catalog Number
Apollo Scientific	OR13359

Database	Data ID
PubChem	3334353

M. W.

366.36732

CAS

Similarity

N/A

ID: 76661

2-chloro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

$$$$ Data

M. F.

C12H17BClNO2

Suppliers	Catalog Number
Alfa Aesar	H53195
Apollo Scientific	OR1336
A&J Pharmtech	AJA-O29657

Database	Data ID
PubChem	44118755

M. W.

253.53288

CAS

850567-56-5

Similarity

N/A

ID: 76662

ethyl 2-amino-4-methyl-5-phenylthiophene-3-carboxylate

$$$$ Data

M. F.

C14H15NO2S

Suppliers	Catalog Number
Apollo Scientific	OR13362
Enamine	EN300-06910

Database	Data ID
PubChem	674768

M. W.

261.3394

CAS

4815-38-7

Similarity

N/A

ID: 76663

3,5-diethyl 4-amino-1,2-thiazole-3,5-dicarboxylate

$$$$ Data

M. F.

C9H12N2O4S

Suppliers	Catalog Number
Apollo Scientific	OR13364

Database	Data ID
PubChem	1133593

M. W.

244.26758

CAS

72632-87-2

Similarity

N/A

ID: 76664

3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid

$$$$ Data

M. F.

C20H14N2O2S

Suppliers	Catalog Number
Apollo Scientific	OR13366

Database	Data ID
PubChem	683021

M. W.

346.40236

CAS

Similarity

N/A

ID: 76665

methyl 3-amino-6-ethyl-5-methylthieno[2,3-b]pyridine-2-carboxylate

$$$$ Data

M. F.

C12H14N2O2S

Suppliers	Catalog Number
Apollo Scientific	OR13367

Database	Data ID
PubChem	1415462

M. W.

250.31676

CAS

Similarity

N/A

ID: 76666

methyl 5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylate

$$$$ Data

M. F.

C10H10N4O2

Suppliers	Catalog Number
Apollo Scientific	OR13368

Database	Data ID
PubChem	723733

M. W.

218.212

CAS

Similarity

N/A

ID: 76667

methyl 2-acetamido-3-methyl-5-nitrobenzoate

$$$$ Data

M. F.

C11H12N2O5

Suppliers	Catalog Number
Apollo Scientific	OR13369

Database	Data ID
PubChem	4035855

M. W.

252.22338

CAS

Similarity

N/A

ID: 76668

2-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline hydrochloride

$$$$ Data

M. F.

C13H21BClNO2

Suppliers	Catalog Number
Alfa Aesar	H53263
Apollo Scientific	OR1337
A&J Pharmtech	AJA-O29652

Database	Data ID
PubChem	44118756

M. W.

269.57534

CAS

850567-52-1

Similarity

N/A

ID: 76669

5-amino-2-phenyl-2H-1,2,3-triazole-4-carboxylic acid

$$$$ Data

M. F.

C9H8N4O2

Suppliers	Catalog Number
Apollo Scientific	OR13370

Database	Data ID
PubChem	609219

M. W.

204.18542

CAS

400073-84-9

Similarity

N/A

ID: 76670

2-acetamido-3-methyl-5-nitrobenzoic acid

$$$$ Data

M. F.

C10H10N2O5

Suppliers	Catalog Number
Apollo Scientific	OR13372

Database	Data ID
PubChem	4026732

M. W.

238.1968

CAS

Similarity

N/A

ID: 76671

5-amino-1-(2-cyanoethyl)-1H-pyrazole-4-carbonitrile

$$$$ Data

M. F.

C7H7N5

Suppliers	Catalog Number
Apollo Scientific	OR13381
Enamine	EN300-28785

Database	Data ID
PubChem	335150

M. W.

161.16398

CAS

54711-30-7

Similarity

N/A

ID: 76672

5-amino-1-benzyl-1H-1,2,3-triazole-4-carbonitrile

$$$$ Data

M. F.

C10H9N5

Suppliers	Catalog Number
Apollo Scientific	OR13383

Database	Data ID
PubChem	329859

M. W.

199.21196

CAS

Similarity

N/A

ID: 76673

2-amino-4,5-diethoxybenzonitrile

$$$$ Data

M. F.

C11H14N2O2

Suppliers	Catalog Number
Apollo Scientific	OR13384

Database	Data ID
PubChem	1381991

M. W.

206.24106

CAS

Similarity

N/A

ID: 76674

6-amino-2H-1,3-benzodioxole-5-carbonitrile

$$$$ Data

M. F.

C8H6N2O2

Suppliers	Catalog Number
Apollo Scientific	OR13385

Database	Data ID
PubChem	687979

M. W.

162.14544

CAS

Similarity

N/A

ID: 76675

6-amino-4-thia-2-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,5,7-tetraene-5-carbonit...

$$$$ Data

M. F.

C11H9N3S

Suppliers	Catalog Number
Apollo Scientific	OR13387

Database	Data ID
PubChem	717804

M. W.

215.27426

CAS

Similarity

N/A

ID: 76676

6-amino-4-thia-2-azatricyclo[7.6.0.0^{3,7}]pentadeca-1(9),2,5,7-tetraene-5-carbo...

$$$$ Data

M. F.

C14H15N3S

Suppliers	Catalog Number
Apollo Scientific	OR13388

Database	Data ID
PubChem	3414166

M. W.

257.354

CAS

Similarity

N/A

ID: 76677

5-amino-1,2-oxazole-4-carbonitrile

$$$$ Data

M. F.

C4H3N3O

Suppliers	Catalog Number
ChemBridge	4043530
Apollo Scientific	OR13389
Enamine	EN300-35474

Database	Data ID
PubChem	312128

M. W.

109.08612

CAS

98027-17-9

Similarity

N/A

ID: 76678

N-cyclopentyl-3-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzamide

$$$$ Data

M. F.

C17H24BNO3

Suppliers	Catalog Number
Alfa Aesar	H53169
Apollo Scientific	OR1339

Database	Data ID
PubChem	44118536

M. W.

301.18836

CAS

850567-45-2

Similarity

N/A

ID: 76679

7-aminopyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile

$$$$ Data

M. F.

C8H4N6

Suppliers	Catalog Number
Apollo Scientific	OR13390

Database	Data ID
PubChem	722521

M. W.

184.15756

CAS

Similarity

N/A

ID: 76680

4-amino-N-ethyl-1,2,5-oxadiazole-3-carboxamide

$$$$ Data

M. F.

C5H8N4O2

Suppliers	Catalog Number
Apollo Scientific	OR13392

Database	Data ID
PubChem	1415478

M. W.

156.14262

CAS

Similarity

N/A

ID: 76681

4-amino-N-(2-benzenesulfonamidoethyl)-1,2,5-oxadiazole-3-carboxamide

$$$$ Data

M. F.

C11H13N5O4S

Suppliers	Catalog Number
Apollo Scientific	OR13393

Database	Data ID
PubChem	2059452

M. W.

311.31702

CAS

Similarity

N/A

ID: 76682

4-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,5-oxadiazole-3-carboxamide

$$$$ Data

M. F.

C13H16N4O4

Suppliers	Catalog Number
Apollo Scientific	OR13394

Database	Data ID
PubChem	686269

M. W.

292.29054

CAS

Similarity

N/A

ID: 76683

5-amino-N,1-dibenzyl-1H-1,2,3-triazole-4-carboxamide

$$$$ Data

M. F.

C17H17N5O

Suppliers	Catalog Number
Apollo Scientific	OR13395

Database	Data ID
PubChem	562160

M. W.

307.34978

CAS

Similarity

N/A

ID: 76684

5-amino-N,1-diphenyl-1H-pyrazole-4-carboxamide

$$$$ Data

M. F.

C16H14N4O

Suppliers	Catalog Number
Apollo Scientific	OR13396

Database	Data ID
PubChem	686782

M. W.

278.30856

CAS

Similarity

N/A

ID: 76685

5-amino-1-benzyl-N-(2-methoxyphenyl)-1H-1,2,3-triazole-4-carboxamide

$$$$ Data

M. F.

C17H17N5O2

Suppliers	Catalog Number
Apollo Scientific	OR13397

Database	Data ID
PubChem	563870

M. W.

323.34918

CAS

Similarity

N/A

ID: 76686

5-amino-3-methyl-N-(4-methylphenyl)-1,2-oxazole-4-carboxamide

$$$$ Data

M. F.

C12H13N3O2

Suppliers	Catalog Number
Apollo Scientific	OR13398

Database	Data ID
PubChem	1263606

M. W.

231.25052

CAS

Similarity

N/A

ID: 76687

5-amino-N-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carbo...

$$$$ Data

M. F.

C17H16ClN5O2

Suppliers	Catalog Number
Apollo Scientific	OR13399

Database	Data ID
PubChem	1205121

M. W.

357.79424

CAS

Similarity

N/A

ID: 76688

2,3-dichlorobenzamide

$$$$ Data

M. F.

C7H5Cl2NO

Suppliers	Catalog Number
Alfa Aesar	A17265
Apollo Scientific	OR1340

Database	Data ID
PubChem	2735956

M. W.

190.0267

CAS

5980-24-5

Similarity

N/A

ID: 76689

5-amino-N-(3,5-dichlorophenyl)-3-ethyl-1,2-oxazole-4-carboxamide

$$$$ Data

M. F.

C12H11Cl2N3O2

Suppliers	Catalog Number
Apollo Scientific	OR13400

Database	Data ID
PubChem	1382058

M. W.

300.14064

CAS

Similarity

N/A

ID: 76690

6-amino-4-thia-2-azatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,5,7-tetraene-5-carboxam...

$$$$ Data

M. F.

C11H11N3OS

Suppliers	Catalog Number
Apollo Scientific	OR13401

Database	Data ID
PubChem	2839290

M. W.

233.28954

CAS

Similarity

N/A

ID: 76691

1-benzyl-5-(2-chloroacetamido)-N-methyl-1H-1,2,3-triazole-4-carboxamide

$$$$ Data

M. F.

C13H14ClN5O2

Suppliers	Catalog Number
Apollo Scientific	OR13402

Database	Data ID
PubChem	715312

M. W.

307.73556

CAS

Similarity

N/A

ID: 76692

6-bromoquinolin-8-amine

$$$$ Data

M. F.

C9H7BrN2

Suppliers	Catalog Number
Apollo Scientific	OR13403

Database	Data ID
PubChem	93637

M. W.

223.06928

CAS

57339-57-8

Similarity

N/A

ID: 76693

ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(quinolin-8-ylsulfanyl)methyl]-1H-1,2,...

$$$$ Data

M. F.

C17H15N7O3S

Suppliers	Catalog Number
Apollo Scientific	OR13404

Database	Data ID
PubChem	2061002

M. W.

397.4111

CAS

Similarity

N/A

ID: 76694

4,5-diaminobenzene-1,2-dicarbonitrile

$$$$ Data

M. F.

C8H6N4

Suppliers	Catalog Number
Apollo Scientific	OR13405
Bide Pharmatech	BD223194

Database	Data ID
PubChem	676368

M. W.

158.16004

CAS

129365-93-1

Similarity

N/A

ID: 76695

spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-amine hydrochloride

$$$$ Data

M. F.

C11H14ClNO2

Suppliers	Catalog Number
Apollo Scientific	OR13406
Enamine	EN300-10745

Database	Data ID
PubChem	2927039

M. W.

227.68736

CAS

Similarity

N/A

ID: 76696

ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(pyridin-2-ylmethyl)amino]methyl}-1H-...

$$$$ Data

M. F.

C14H16N8O3

Suppliers	Catalog Number
Apollo Scientific	OR13408

Database	Data ID
PubChem	695288

M. W.

344.32864

CAS

Similarity

N/A

ID: 76697

2-(2-amino-4,6-dinitrophenyl)ethan-1-ol

$$$$ Data

M. F.

C8H9N3O5

Suppliers	Catalog Number
Apollo Scientific	OR13409

Database	Data ID
PubChem	4395373

M. W.

227.17416

CAS

Similarity

N/A

ID: 76698

3-methyl-1-(4-nitrophenyl)-4-phenyl-1H-pyrazol-5-amine

$$$$ Data

M. F.

C16H14N4O2

Suppliers	Catalog Number
Apollo Scientific	OR13411

Database	Data ID
PubChem	1263645

M. W.

294.30796

CAS

Similarity

N/A

ID: 76699

ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-({[4-(ethoxycarbonyl)phenyl]amino}methy...

$$$$ Data

M. F.

C17H19N7O5

Suppliers	Catalog Number
Apollo Scientific	OR13412

Database	Data ID
PubChem	1713065

M. W.

401.37666

CAS

Similarity

N/A

ID: 76700

5-{[1-(2-chlorophenyl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-amine

$$$$ Data

M. F.

C10H10ClN3S2

Suppliers	Catalog Number
Apollo Scientific	OR13414

Database	Data ID
PubChem	587037

M. W.

271.7895

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