Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

H2S

Suppliers	Catalog Number
Sigma Aldrich	295442 84742
MP Biomedicals	05207604

Database	Data ID
Wikipedia	Hydrogen_sulfide
PubChem	402

M. W.

34.08088

CAS

7783-06-4

Similarity

N/A

ID: 108502

2-methoxy-3,4-dihydro-2H-pyran

$$$$ Data

M. F.

C6H10O2

Suppliers	Catalog Number
Sigma Aldrich	180734
MP Biomedicals	05207607
Alfa Aesar	B24609

Database	Data ID
PubChem	91538

M. W.

114.1424

CAS

4454-05-1

Similarity

N/A

ID: 108503

3-(propylsulfanyl)prop-1-ene

$$$$ Data

M. F.

C6H12S

Suppliers	Catalog Number
MP Biomedicals	05207609

Database	Data ID
PubChem	98781

M. W.

116.22448

CAS

27817-67-0

Similarity

N/A

ID: 108504

3-(prop-2-en-1-yloxy)propanenitrile

$$$$ Data

M. F.

C6H9NO

Suppliers	Catalog Number
MP Biomedicals	05207613

Database	Data ID
PubChem	76527

M. W.

111.14176

CAS

3088-44-6

Similarity

N/A

ID: 108505

N-(2-oxo-2H-chromen-5-yl)acetamide

$$$$ Data

M. F.

C11H9NO3

Suppliers	Catalog Number
MP Biomedicals	05207618

Database	Data ID
PubChem	25021202

M. W.

203.19406

CAS

99972-56-2

Similarity

N/A

ID: 108506

2-methoxy-4-propylphenol

$$$$ Data

M. F.

C10H14O2

Suppliers	Catalog Number
Sigma Aldrich	W359807
MP Biomedicals	05213011 05207626
InterBioScreen	BB_NC-0503

Database	Data ID
PubChem	17739

M. W.

166.21696

CAS

2785-87-7

Similarity

N/A

ID: 108507

3-acetamido-2,4,6-triiodobenzoic acid

$$$$ Data

M. F.

C9H6I3NO3

Suppliers	Catalog Number
MP Biomedicals	05207629

Database	Data ID
PubChem	6806

M. W.

556.86225

CAS

85-36-9

Similarity

N/A

ID: 108508

holmium(3+) ion pentahydrate trinitrate

$$$$ Data

M. F.

H10HoN3O14

Suppliers	Catalog Number
Sigma Aldrich	325732 229687
MP Biomedicals	05207630
Alfa Aesar	14588 A17180

Database	Data ID
PubChem	25021754

M. W.

441.02142

CAS

14483-18-2

Similarity

N/A

ID: 108509

diborane chromium

$$$$ Data

M. F.

B2Cr

Suppliers	Catalog Number
MP Biomedicals	05207643

Database	Data ID
PubChem	6336856

M. W.

73.6181

CAS

12007-16-8

Similarity

N/A

ID: 108510

sulfanylidene[(sulfanylidenechromio)sulfanyl]chromium

$$$$ Data

M. F.

Cr2S3

Suppliers	Catalog Number
MP Biomedicals	05207644
Alfa Aesar	12845

Database	Data ID
PubChem	13084197

M. W.

200.1872

CAS

12018-22-3

Similarity

N/A

ID: 108511

tellanylidene[(tellanylidenechromio)tellanyl]chromium

$$$$ Data

M. F.

Cr2H2Te3

Suppliers	Catalog Number
Sigma Aldrich	401021
MP Biomedicals	05207645

Database	Data ID
PubChem	6381587

M. W.

488.80808

CAS

12053-39-3

Similarity

N/A

ID: 108512

bis($l^{1}-cerium(1+) ion) oxalate

$$$$ Data

M. F.

C2Ce2O4

Suppliers	Catalog Number
MP Biomedicals	05207650

Database	Data ID
PubChem	8762

M. W.

368.251

CAS

139-42-4

Similarity

N/A

ID: 108513

6-oxo-3-{2-[4-(4-{2-[1-oxo-7-(phenylamino)-3-sulfo-1,2-dihydronaphthalen-2-ylide...

$$$$ Data

M. F.

C35H25N5NaO7S

Suppliers	Catalog Number
MP Biomedicals	05207662

Database	Data ID
PubChem	71299666

M. W.

682.65707

CAS

3476-90-2

Similarity

N/A

ID: 108514

tert-butyl propanoate

$$$$ Data

M. F.

C7H14O2

Suppliers	Catalog Number
Sigma Aldrich	254525 81960
MP Biomedicals	05207664
Bide Pharmatech	BD153080

Database	Data ID
PubChem	88561

M. W.

130.18486

CAS

20487-40-5

Similarity

N/A

ID: 108515

4-chloro-1-(thiophen-2-yl)butan-1-one

$$$$ Data More

M. F.

C8H9ClOS

Suppliers	Catalog Number
Sigma Aldrich	125016
MP Biomedicals	05207665
Alfa Aesar	B22342

Database	Data ID
PubChem	123511

M. W.

188.67446

CAS

43076-59-1

Similarity

N/A

ID: 108516

[(benzenesulfonyl)methyl]benzene

$$$$ Data

M. F.

C13H12O2S

Suppliers	Catalog Number
MP Biomedicals	05207669
Alfa Aesar	L04201
Bide Pharmatech	BD116199

Database	Data ID
PubChem	76561

M. W.

232.29818

CAS

3112-88-7

Similarity

N/A

ID: 108517

2-(4-chlorophenyl)-5-methyl-2,3-dihydro-1H-pyrazol-3-one

$$$$ Data

M. F.

C10H9ClN2O

Suppliers	Catalog Number
MP Biomedicals	05207673

Database	Data ID
PubChem	3442874

M. W.

208.64426

CAS

13024-90-3

Similarity

N/A

ID: 108518

4-methyl-1,2,3,4-tetrahydroquinoline

$$$$ Data

M. F.

C10H13N

Suppliers	Catalog Number
MP Biomedicals	05207675

Database	Data ID
PubChem	86854

M. W.

147.21692

CAS

19343-78-3

Similarity

N/A

ID: 108519

1-chloro-2-(2-chloroethoxy)ethane

$$$$ Data

M. F.

C4H8Cl2O

Suppliers	Catalog Number
Sigma Aldrich	C41134 35660
MP Biomedicals	05207678
Alfa Aesar	A14234

Database	Data ID
Wikipedia	Bis(chloroethyl)_ether
PubChem	8115

M. W.

143.01172

CAS

111-44-4

Similarity

N/A

ID: 108520

2-chloro-4-phenylphenol

$$$$ Data

M. F.

C12H9ClO

Suppliers	Catalog Number
MP Biomedicals	05207680

Database	Data ID
PubChem	7074

M. W.

204.65226

CAS

92-04-6

Similarity

N/A

ID: 108521

cerium(3+) ion hydrate trifluoride

$$$$ Data

M. F.

CeF3O

Suppliers	Catalog Number
MP Biomedicals	05207681

Database	Data ID
PubChem	25021390

M. W.

213.1106096

CAS

7758-88-5

Similarity

N/A

ID: 108522

2,15-dimethyl-14-(6-methylheptan-2-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptade...

$$$$ Data

M. F.

C33H56O2

Suppliers	Catalog Number
MP Biomedicals	05207685

Database	Data ID
PubChem	4064452

M. W.

484.79654

CAS

1062-96-0

Similarity

N/A

ID: 108523

cyclotetradeca-1,8-diyne

$$$$ Data

M. F.

C14H20

Suppliers	Catalog Number
MP Biomedicals	05207687

Database	Data ID
PubChem	137070

M. W.

188.3086

CAS

1540-80-3

Similarity

N/A

ID: 108524

8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexae...

$$$$ Data

M. F.

C12H8O4S

Suppliers	Catalog Number
MP Biomedicals	05207690
Alfa Aesar	43899

Database	Data ID
PubChem	522803

M. W.

248.25452

CAS

83863-63-2

Similarity

N/A

ID: 108525

N,N'-dibenzylethanedithioamide

$$$$ Data

M. F.

C16H16N2S2

Suppliers	Catalog Number
MP Biomedicals	05207691

Database	Data ID
PubChem	678653

M. W.

300.44164

CAS

Similarity

N/A

ID: 108526

2,3-dibromo-1,2,3,4-tetrahydronaphthalene

$$$$ Data

M. F.

C10H10Br2

Suppliers	Catalog Number
MP Biomedicals	05207697

Database	Data ID
PubChem	246592

M. W.

289.9944

CAS

2018-87-3

Similarity

N/A

ID: 108527

8$l^{4}-thiatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaen-8-one

$$$$ Data

M. F.

C12H8OS

Suppliers	Catalog Number
MP Biomedicals	05207702

Database	Data ID
PubChem	13898

M. W.

200.25632

CAS

1013-23-6

Similarity

N/A

ID: 108528

1,3-dioxo-1,3-dihydro-2-benzofuran-5-carboxylic acid

$$$$ Data More

M. F.

C9H4O5

Suppliers	Catalog Number
Sigma Aldrich	B4600 92120
MP Biomedicals	05207703
Alfa Aesar	B23003

Database	Data ID
PubChem	11089

M. W.

192.12506

CAS

552-30-7

Similarity

N/A

ID: 108529

zinc(2+) ion bis(4-(diethylamino)-2-methylbenzene-1-diazonium) tetrachloride

$$$$ Data

M. F.

C22H32Cl4N6Zn

Suppliers	Catalog Number
MP Biomedicals	05207704

Database	Data ID
PubChem	6454079

M. W.

587.72168

CAS

60869-69-4

Similarity

N/A

ID: 108530

3-{[3-(aminooxy)-2-phenylpropanoyl]oxy}-8-methyl-8-azabicyclo[3.2.1]octan-8-ium-...

$$$$ Data

M. F.

C17H25BrN2O4

Suppliers	Catalog Number
MP Biomedicals	05207706

Database	Data ID
PubChem	44135386

M. W.

401.2954

CAS

Similarity

N/A

ID: 108531

1-(cyclohex-1-en-1-yl)-2-methylbenzene

$$$$ Data

M. F.

C13H16

Suppliers	Catalog Number
MP Biomedicals	05207708

Database	Data ID
PubChem	89775

M. W.

172.26614

CAS

Similarity

N/A

ID: 108532

bis(acetic acid); benzyl[2-(benzylamino)ethyl]amine

$$$$ Data

M. F.

C20H28N2O4

Suppliers	Catalog Number
MP Biomedicals	05207714
Bide Pharmatech	BD17821

Database	Data ID
PubChem	31228

M. W.

360.44732

CAS

122-75-8

Similarity

N/A

ID: 108533

11H-benzo[b]fluorene

$$$$ Data

M. F.

C17H12

Suppliers	Catalog Number
Sigma Aldrich	123595 12495
MP Biomedicals	05207721

Database	Data ID
PubChem	9201

M. W.

216.27718

CAS

243-17-4

Similarity

N/A

ID: 108534

(2-benzoylphenyl)(phenyl)methanone

$$$$ Data

M. F.

C20H14O2

Suppliers	Catalog Number
MP Biomedicals	05207722
Alfa Aesar	L01592
Bide Pharmatech	BD1138

Database	Data ID
PubChem	70875

M. W.

286.32396

CAS

1159-86-0

Similarity

N/A

ID: 108535

8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate hydrobromide

$$$$ Data

M. F.

C17H24BrNO3

Suppliers	Catalog Number
MP Biomedicals	05207727

Database	Data ID
PubChem	20733

M. W.

370.28136

CAS

306-03-6

Similarity

N/A

ID: 108536

4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one

$$$$ Data

M. F.

C19H14O3

Suppliers	Catalog Number
Sigma Aldrich	861324 83910 27-0620
MP Biomedicals	05207730 05207729
Alfa Aesar	B21737

Database	Data ID
Wikipedia	Aurin
PubChem	5100

M. W.

290.31266

CAS

603-45-2

Similarity

N/A

ID: 108537

potassium boranuide

$$$$ Data

M. F.

Suppliers	Catalog Number
Sigma Aldrich	P4129 455571 438472 (more...)
MP Biomedicals	05207733
Alfa Aesar	32570

Database	Data ID
PubChem	22892188

M. W.

49.9093

CAS

13762-51-1

Similarity

N/A

ID: 108538

4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline hydrochloride

$$$$ Data

M. F.

C17H22ClN3

Suppliers	Catalog Number
Sigma Aldrich	A9655 861030 11340
MP Biomedicals	05207741
Enamine	EN300-74228

Database	Data ID
Wikipedia	Auramine_O
PubChem	17170

M. W.

303.82968

CAS

2465-27-2

Similarity

N/A

ID: 108539

acetic acid; dibenzylamine

$$$$ Data

M. F.

C16H19NO2

Suppliers	Catalog Number
MP Biomedicals	05207744

Database	Data ID
PubChem	174893

M. W.

257.32756

CAS

72088-84-7

Similarity

N/A

ID: 108540

2-nitropropane

$$$$ Data

M. F.

C3H7NO2

Suppliers	Catalog Number
Sigma Aldrich	130265 73800
MP Biomedicals	05207749
InterBioScreen	BB_SC-7078

Database	Data ID
Wikipedia	2-Nitropropane
PubChem	398

M. W.

89.09318

CAS

79-46-9

Similarity

N/A

ID: 108541

calcium bis(naphthalene-2-carboxylate)

$$$$ Data

M. F.

C22H14CaO4

Suppliers	Catalog Number
MP Biomedicals	05207755

Database	Data ID
PubChem	20138397

M. W.

382.42216

CAS

61789-36-4

Similarity

N/A

ID: 108542

3-methyl-6-(propan-2-yl)cyclohex-2-en-1-one

$$$$ Data

M. F.

C10H16O

Suppliers	Catalog Number
MP Biomedicals	05207757

Database	Data ID
Wikipedia	Piperitone
PubChem	6987

M. W.

152.23344

CAS

89-81-6

Similarity

N/A

ID: 108543

1-bromo-2-methylpropane

$$$$ Data More

M. F.

C4H9Br

Suppliers	Catalog Number
Sigma Aldrich	156582 58510
MP Biomedicals	05207759
Alfa Aesar	B23854

Database	Data ID
PubChem	6555

M. W.

137.01826

CAS

78-77-3

Similarity

N/A

ID: 108544

4-tert-butylcyclohexyl acetate

$$$$ Data

M. F.

C12H22O2

Suppliers	Catalog Number
Sigma Aldrich	347736
MP Biomedicals	05207765
A&J Pharmtech	AJA-O34830

Database	Data ID
PubChem	36081

M. W.

198.30188

CAS

105906-07-8

Similarity

N/A

ID: 108545

tert-butylcyclohexane

$$$$ Data

M. F.

C10H20

Suppliers	Catalog Number
MP Biomedicals	05207768
Alfa Aesar	B24126
Bide Pharmatech	BD153134

Database	Data ID
PubChem	18508

M. W.

140.2658

CAS

3178-22-1

Similarity

N/A

ID: 108546

trifluorolanthanum

$$$$ Data

M. F.

F3La

Suppliers	Catalog Number
Sigma Aldrich	211621 449857
MP Biomedicals	05207778

Database	Data ID
PubChem	83675

M. W.

195.9007096

CAS

13709-38-1

Similarity

N/A

ID: 108547

(2-bromo-3-methylbutanoyl)urea

$$$$ Data

M. F.

C6H11BrN2O2

Suppliers	Catalog Number
MP Biomedicals	05207785
Enamine	EN300-06511

Database	Data ID
PubChem	2447

M. W.

223.06774

CAS

496-67-3

Similarity

N/A

ID: 108548

3-butyl-1-(3,4-dichlorophenyl)-3-methylurea

$$$$ Data

M. F.

C12H16Cl2N2O

Suppliers	Catalog Number
Sigma Aldrich	36176
MP Biomedicals	05207791

Database	Data ID
PubChem	11145

M. W.

275.17424

CAS

555-37-3

Similarity

N/A

ID: 108549

N-(butan-2-yl)benzamide

$$$$ Data

M. F.

C11H15NO

Suppliers	Catalog Number
MP Biomedicals	05207795

Database	Data ID
PubChem	221808

M. W.

177.2429

CAS

879-71-0

Similarity

N/A

ID: 108550

5-methylhex-1-yne

$$$$ Data

M. F.

C7H12

Suppliers	Catalog Number
Sigma Aldrich	662860
MP Biomedicals	05207802
Alfa Aesar	L06014

Database	Data ID
PubChem	137490

M. W.

96.17018

CAS

2203-80-7

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