Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C4H4N2O2

Suppliers	Catalog Number
Apollo Scientific	OR21538

Database	Data ID
PubChem	2774693

M. W.

112.08676

CAS

931-18-0

Similarity

N/A

ID: 79102

2,3-dichloro-4-(2-phenylhydrazin-1-ylidene)but-2-enoic acid

$$$$ Data

M. F.

C10H8Cl2N2O2

Suppliers	Catalog Number
Apollo Scientific	OR21539

Database	Data ID
PubChem	9555157

M. W.

259.08872

CAS

Similarity

N/A

ID: 79103

benzyl (2R,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate

$$$$ Data

M. F.

C13H17NO4

Suppliers	Catalog Number
Apollo Scientific	OR2154

Database	Data ID
PubChem	44118840

M. W.

251.27838

CAS

95687-41-5

Similarity

N/A

ID: 79104

4,5-dichloro-2-phenyl-2,3-dihydropyridazin-3-one

$$$$ Data More

M. F.

C10H6Cl2N2O

Suppliers	Catalog Number
Sigma Aldrich	176842
Apollo Scientific	OR21540
Enamine	EN300-02004

Database	Data ID
PubChem	72813

M. W.

241.07344

CAS

1698-53-9

Similarity

N/A

ID: 79105

4,5-dichloro-2-methyl-2,3-dihydropyridazin-3-one

$$$$ Data

M. F.

C5H4Cl2N2O

Suppliers	Catalog Number
Sigma Aldrich	597716
Apollo Scientific	OR21541
Enamine	EN300-27438

Database	Data ID
PubChem	120462

M. W.

179.00406

CAS

933-76-6

Similarity

N/A

ID: 79106

2,3-dichloro-4-[2-(3,5-dichlorophenyl)hydrazin-1-ylidene]but-2-enoic acid

$$$$ Data

M. F.

C10H6Cl4N2O2

Suppliers	Catalog Number
Apollo Scientific	OR21542

Database	Data ID
PubChem	9582110

M. W.

327.97884

CAS

Similarity

N/A

ID: 79107

2,3-dichloro-4-[2-(4-nitrophenyl)hydrazin-1-ylidene]but-2-enoic acid

$$$$ Data

M. F.

C10H7Cl2N3O4

Suppliers	Catalog Number
Apollo Scientific	OR21543

Database	Data ID
PubChem	9582111

M. W.

304.08628

CAS

Similarity

N/A

ID: 79108

2-chloro-N'-(5-chloro-1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)-N'-methylpyridin...

$$$$ Data

M. F.

C12H11Cl2N5O2

Suppliers	Catalog Number
Apollo Scientific	OR21544

Database	Data ID
PubChem	2774697

M. W.

328.15404

CAS

Similarity

N/A

ID: 79109

4,5-dibromo-2-phenyl-2,3-dihydropyridazin-3-one

$$$$ Data

M. F.

C10H6Br2N2O

Suppliers	Catalog Number
Maybridge	BTB07379
Apollo Scientific	OR21545
A&J Pharmtech	AJA-O7038

Database	Data ID
PubChem	203396

M. W.

329.97544

CAS

14305-08-9

Similarity

N/A

ID: 79110

4-bromo-2-methyl-5-phenylmethanesulfonyl-2,3-dihydropyridazin-3-one

$$$$ Data

M. F.

C12H11BrN2O3S

Suppliers	Catalog Number
Sigma Aldrich	B7936
Apollo Scientific	OR21546

Database	Data ID
PubChem	2774700

M. W.

343.19634

CAS

97120-13-3

Similarity

N/A

ID: 79111

5-(benzylsulfanyl)-4-chloro-2-phenyl-2,3-dihydropyridazin-3-one

$$$$ Data

M. F.

C17H13ClN2OS

Suppliers	Catalog Number
Apollo Scientific	OR21547

Database	Data ID
PubChem	735800

M. W.

328.81592

CAS

Similarity

N/A

ID: 79112

5-(benzylsulfanyl)-4-bromo-2-phenyl-2,3-dihydropyridazin-3-one

$$$$ Data

M. F.

C17H13BrN2OS

Suppliers	Catalog Number
Apollo Scientific	OR21548

Database	Data ID
PubChem	2774701

M. W.

373.26692

CAS

Similarity

N/A

ID: 79113

2-chloropyridin-3-yl 2-chloropyridine-3-carboxylate

$$$$ Data

M. F.

C11H6Cl2N2O2

Suppliers	Catalog Number
Apollo Scientific	OR21549

Database	Data ID
PubChem	2774702

M. W.

269.08354

CAS

Similarity

N/A

ID: 79114

2-[(2-chloropyridin-3-yl)oxy]-3-nitropyridine

$$$$ Data

M. F.

C10H6ClN3O3

Suppliers	Catalog Number
Maybridge	BTB07394
Apollo Scientific	OR21550

Database	Data ID
PubChem	2774703

M. W.

251.62594

CAS

175135-50-9

Similarity

N/A

ID: 79115

2-chloropyridin-3-yl 4-chlorobenzene-1-sulfonate

$$$$ Data

M. F.

C11H7Cl2NO3S

Suppliers	Catalog Number
Apollo Scientific	OR21551

Database	Data ID
PubChem	2774704

M. W.

304.14918

CAS

Similarity

N/A

ID: 79116

2-chloropyridin-3-yl 3,5-dichlorobenzene-1-sulfonate

$$$$ Data

M. F.

C11H6Cl3NO3S

Suppliers	Catalog Number
Apollo Scientific	OR21552

Database	Data ID
PubChem	2774705

M. W.

338.59424

CAS

Similarity

N/A

ID: 79117

2-chloropyridin-3-yl 4-methylbenzene-1-sulfonate

$$$$ Data

M. F.

C12H10ClNO3S

Suppliers	Catalog Number
Apollo Scientific	OR21553

Database	Data ID
PubChem	2774707

M. W.

283.7307

CAS

Similarity

N/A

ID: 79118

2-chloropyridin-3-yl thiophene-2-carboxylate

$$$$ Data

M. F.

C10H6ClNO2S

Suppliers	Catalog Number
Apollo Scientific	OR21554

Database	Data ID
PubChem	2774709

M. W.

239.67814

CAS

Similarity

N/A

ID: 79119

2-[(2-chloropyridin-3-yl)oxy]-5-nitropyridine

$$$$ Data

M. F.

C10H6ClN3O3

Suppliers	Catalog Number
Apollo Scientific	OR21555

Database	Data ID
PubChem	2774711

M. W.

251.62594

CAS

Similarity

N/A

ID: 79120

2-chloropyridin-3-yl 1-benzothiophene-2-carboxylate

$$$$ Data

M. F.

C14H8ClNO2S

Suppliers	Catalog Number
Apollo Scientific	OR21556

Database	Data ID
PubChem	2774713

M. W.

289.73682

CAS

Similarity

N/A

ID: 79121

2-bromo-3-phenylprop-2-enal

$$$$ Data More

M. F.

C9H7BrO

Suppliers	Catalog Number
Sigma Aldrich	161160
Alfa Aesar	A14230
Apollo Scientific	OR21557

Database	Data ID
PubChem	5369403

M. W.

211.05528

CAS

5443-49-2

Similarity

N/A

ID: 79122

2-[(5-chloropyridin-3-yl)oxy]-3-nitropyridine

$$$$ Data

M. F.

C10H6ClN3O3

Suppliers	Catalog Number
Apollo Scientific	OR21558

Database	Data ID
PubChem	2774716

M. W.

251.62594

CAS

175135-51-0

Similarity

N/A

ID: 79123

2,3,3-trichloro-N-[6-(4-methoxyphenoxy)pyridin-3-yl]prop-2-enamide

$$$$ Data

M. F.

C15H11Cl3N2O3

Suppliers	Catalog Number
Apollo Scientific	OR21559

Database	Data ID
PubChem	2774718

M. W.

373.61844

CAS

Similarity

N/A

ID: 79124

4-amino-3-(4-chlorophenyl)-1H-1,2,4$l^{4}-triazole-5-thiol

$$$$ Data

M. F.

C8H8ClN4S

Suppliers	Catalog Number
Apollo Scientific	OR2156

Database	Data ID
PubChem	2735303

M. W.

227.69392

CAS

Similarity

N/A

ID: 79125

2-chloro-N-[6-(2,4-dichlorophenoxy)pyridin-3-yl]pyridine-3-carboxamide

$$$$ Data

M. F.

C17H10Cl3N3O2

Suppliers	Catalog Number
Apollo Scientific	OR21560

Database	Data ID
PubChem	2774720

M. W.

394.6392

CAS

Similarity

N/A

ID: 79126

2,3-dichloro-4-{[6-(4-methoxyphenoxy)pyridin-3-yl]imino}but-2-enoic acid

$$$$ Data

M. F.

C16H12Cl2N2O4

Suppliers	Catalog Number
Apollo Scientific	OR21561

Database	Data ID
PubChem	2774721

M. W.

367.18348

CAS

Similarity

N/A

ID: 79127

2,3-dichloro-4-{[6-(2,4-dichlorophenoxy)pyridin-3-yl]imino}but-2-enoic acid

$$$$ Data

M. F.

C15H8Cl4N2O3

Suppliers	Catalog Number
Apollo Scientific	OR21562

Database	Data ID
PubChem	2774723

M. W.

406.04762

CAS

Similarity

N/A

ID: 79128

2-chloro-N-[6-(4-methoxyphenoxy)pyridin-3-yl]pyridine-3-carboxamide

$$$$ Data

M. F.

C18H14ClN3O3

Suppliers	Catalog Number
Apollo Scientific	OR21563

Database	Data ID
PubChem	2774724

M. W.

355.77506

CAS

Similarity

N/A

ID: 79129

2-chloro-N-[6-(2,3-dimethylphenoxy)pyridin-3-yl]pyridine-3-carboxamide

$$$$ Data

M. F.

C19H16ClN3O2

Suppliers	Catalog Number
Apollo Scientific	OR21564

Database	Data ID
PubChem	2774726

M. W.

353.80224

CAS

Similarity

N/A

ID: 79130

2,3,3-trichloro-N-[6-(2,3-dimethylphenoxy)pyridin-3-yl]prop-2-enamide

$$$$ Data

M. F.

C16H13Cl3N2O2

Suppliers	Catalog Number
Apollo Scientific	OR21565

Database	Data ID
PubChem	2774728

M. W.

371.64562

CAS

Similarity

N/A

ID: 79131

4-chloro-5-[(furan-2-ylmethyl)sulfanyl]-2-methyl-2,3-dihydropyridazin-3-one

$$$$ Data

M. F.

C10H9ClN2O2S

Suppliers	Catalog Number
Apollo Scientific	OR21566

Database	Data ID
PubChem	2774729

M. W.

256.70866

CAS

Similarity

N/A

ID: 79132

2,4,6-trimethylbenzamide

$$$$ Data

M. F.

C10H13NO

Suppliers	Catalog Number
Apollo Scientific	OR21567

Database	Data ID
PubChem	246686

M. W.

163.21632

CAS

Similarity

N/A

ID: 79133

2,6-dimethylbenzamide

$$$$ Data

M. F.

C9H11NO

Suppliers	Catalog Number
Apollo Scientific	OR21568

Database	Data ID
PubChem	136406

M. W.

149.18974

CAS

55321-98-7

Similarity

N/A

ID: 79134

3-amino-1-(4-nitrophenyl)-1H-pyrazole-4-carbonitrile

$$$$ Data

M. F.

C10H7N5O2

Suppliers	Catalog Number
Apollo Scientific	OR21571
Enamine	EN300-69803

Database	Data ID
PubChem	2774731

M. W.

229.19488

CAS

219930-67-3

Similarity

N/A

ID: 79135

3-chloro-4-[2-(4-chlorophenyl)hydrazin-1-ylidene]-2-(4-methoxyphenoxy)but-2-enoi...

$$$$ Data

M. F.

C17H14Cl2N2O4

Suppliers	Catalog Number
Apollo Scientific	OR21572

Database	Data ID
PubChem	44118876

M. W.

381.21006

CAS

Similarity

N/A

ID: 79136

3-chloro-2-(4-methoxyphenoxy)-4-[2-(4-nitrophenyl)hydrazin-1-ylidene]but-2-enoic...

$$$$ Data

M. F.

C17H14ClN3O6

Suppliers	Catalog Number
Apollo Scientific	OR21573

Database	Data ID
PubChem	71299276

M. W.

391.76256

CAS

Similarity

N/A

ID: 79137

3-chloro-2-(4-methoxyphenoxy)-4-(2-phenylhydrazin-1-ylidene)but-2-enoic acid

$$$$ Data

M. F.

C17H15ClN2O4

Suppliers	Catalog Number
Apollo Scientific	OR21574

Database	Data ID
PubChem	44118877

M. W.

346.765

CAS

Similarity

N/A

ID: 79138

2-[1-(4-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]ethyl 2-chlorop...

$$$$ Data

M. F.

C18H15Cl2N3O3

Suppliers	Catalog Number
Apollo Scientific	OR21575

Database	Data ID
PubChem	2774737

M. W.

392.236

CAS

Similarity

N/A

ID: 79139

1-(2,5-dichloro-4-nitrophenyl)-1H-pyrrole

$$$$ Data

M. F.

C10H6Cl2N2O2

Suppliers	Catalog Number
Apollo Scientific	OR21579

Database	Data ID
PubChem	2774739

M. W.

257.07284

CAS

175135-54-3

Similarity

N/A

ID: 79140

1-bromoheptane

$$$$ Data More

M. F.

C7H15Br

Suppliers	Catalog Number
Sigma Aldrich	B67570 17220
MP Biomedicals	05222782
Alfa Aesar	A14031

Database	Data ID
PubChem	12369

M. W.

179.098

CAS

629-04-9

Similarity

N/A

ID: 79141

2,5-dichloro-4-nitroaniline

$$$$ Data More

M. F.

C6H4Cl2N2O2

Suppliers	Catalog Number
Sigma Aldrich	524204
Alfa Aesar	A15511
Apollo Scientific	OR21580

Database	Data ID
PubChem	23108

M. W.

207.01416

CAS

6627-34-5

Similarity

N/A

ID: 79142

3-chloro-1-benzothiophene-2-carboxamide

$$$$ Data

M. F.

C9H6ClNOS

Suppliers	Catalog Number
Alfa Aesar	L18898
Apollo Scientific	OR21581

Database	Data ID
PubChem	607052

M. W.

211.66804

CAS

21211-09-6

Similarity

N/A

ID: 79143

2,5-dichloro-4-(1H-pyrrol-1-yl)aniline

$$$$ Data

M. F.

C10H8Cl2N2

Suppliers	Catalog Number
Apollo Scientific	OR21582

Database	Data ID
PubChem	2774742

M. W.

227.08992

CAS

175135-55-4

Similarity

N/A

ID: 79144

3-bromo-2,6-dimethoxybenzoic acid

$$$$ Data

M. F.

C9H9BrO4

Suppliers	Catalog Number
Alfa Aesar	A15971
Maybridge	BTB07593
Apollo Scientific	OR21583

Database	Data ID
PubChem	2774744

M. W.

261.06936

CAS

73219-89-3

Similarity

N/A

ID: 79145

3-chloro-2,6-dimethoxybenzamide

$$$$ Data

M. F.

C9H10ClNO3

Suppliers	Catalog Number
Apollo Scientific	OR21587

Database	Data ID
PubChem	2774747

M. W.

215.6336

CAS

90346-64-8

Similarity

N/A

ID: 79146

5-methyl-2-phenyl-2,5-dihydro-1H-pyrazol-3-yl 2-chloropyridine-3-carboxylate

$$$$ Data

M. F.

C16H14ClN3O2

Suppliers	Catalog Number
Apollo Scientific	OR21588

Database	Data ID
PubChem	2774748

M. W.

315.75426

CAS

Similarity

N/A

ID: 79147

N'-(6-chloropyridazin-3-yl)-2,6-dimethoxy-N'-methylbenzohydrazide

$$$$ Data

M. F.

C14H15ClN4O3

Suppliers	Catalog Number
Apollo Scientific	OR21589

Database	Data ID
PubChem	6409786

M. W.

322.7469

CAS

Similarity

N/A

ID: 79148

(2-bromophenyl)methanamine hydrochloride

$$$$ Data More

M. F.

C7H9BrClN

Suppliers	Catalog Number
Sigma Aldrich	225169
Alfa Aesar	A18151
Apollo Scientific	OR2159

Database	Data ID
PubChem	2724202

M. W.

222.51006

CAS

5465-63-4

Similarity

N/A

ID: 79149

N'-(6-chloropyridazin-3-yl)-2,6-dimethoxybenzohydrazide

$$$$ Data

M. F.

C13H13ClN4O3

Suppliers	Catalog Number
Apollo Scientific	OR21590

Database	Data ID
PubChem	5708493

M. W.

308.72032

CAS

Similarity

N/A

ID: 79150

3,5-dichloro-2,6-dimethoxybenzoic acid

$$$$ Data

M. F.

C9H8Cl2O4

Suppliers	Catalog Number
Maybridge	BTB07666
Apollo Scientific	OR21591

Database	Data ID
PubChem	2774750

M. W.

251.06342

CAS

73219-91-7

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