Chembase list of 866358 unique molecular structures

4-(4-amino-3,5-dimethylphenyl)-2,6-dimethylaniline

$$$$ Data More

M. F.

C16H20N2

Suppliers	Catalog Number
Sigma Aldrich	T5525 T4444 T2885 (more...)
MP Biomedicals	02152346 02190277
Alfa Aesar	A13868

Database	Data ID
Wikipedia	3,3',5,5'-Tetramethylbenzidine
PubChem	41206

M. W.

240.3434

CAS

54827-17-7

Similarity

N/A

ID: 74452

tetrabutylazanium iodide

$$$$ Data More

M. F.

C16H36IN

Suppliers	Catalog Number
Sigma Aldrich	T3638 140775 86890 (more...)
MP Biomedicals	02156768 05219216
Alfa Aesar	A15484

Database	Data ID
PubChem	67553

M. W.

369.36821

CAS

311-28-4

Similarity

N/A

ID: 74453

oxolane-2-carboxylic acid

$$$$ Data More

M. F.

C5H8O3

Suppliers	Catalog Number
Sigma Aldrich	341517 87375
Alfa Aesar	B22927
Apollo Scientific	OR10057

Database	Data ID
PubChem	86079

M. W.

116.11522

CAS

16874-33-2

Similarity

N/A

ID: 74454

tetrapropylazanium bromide

$$$$ Data

M. F.

C12H28BrN

Suppliers	Catalog Number
Sigma Aldrich	225568 87432 88103 (more...)
Alfa Aesar	A11522
Apollo Scientific	OR10058

Database	Data ID
PubChem	74745

M. W.

266.26142

CAS

1941-30-6

Similarity

N/A

ID: 74455

2-(4-methylphenyl)benzonitrile

$$$$ Data

M. F.

C14H11N

Suppliers	Catalog Number
Sigma Aldrich	459569
Alfa Aesar	B21273
Apollo Scientific	OR10059

Database	Data ID
PubChem	145512

M. W.

193.24384

CAS

114772-53-1

Similarity

N/A

ID: 74456

2-(4-chlorophenyl)piperidine hydrochloride

$$$$ Data

M. F.

C11H15Cl2N

Suppliers	Catalog Number
Apollo Scientific	OR1006

Database	Data ID
PubChem	17749760

M. W.

232.1495

CAS

Similarity

N/A

ID: 74457

triheptylamine

$$$$ Data

M. F.

C21H45N

Suppliers	Catalog Number
Sigma Aldrich	91896
Apollo Scientific	OR10060

Database	Data ID
PubChem	75483

M. W.

311.5887

CAS

2411-36-1

Similarity

N/A

ID: 74458

trihexylamine

$$$$ Data More

M. F.

C18H39N

Suppliers	Catalog Number
Sigma Aldrich	183997 91900 91905
MP Biomedicals	05219336
Alfa Aesar	B23716

Database	Data ID
PubChem	66022

M. W.

269.50896

CAS

102-86-3

Similarity

N/A

ID: 74459

trioctylamine

$$$$ Data More

M. F.

C24H51N

Suppliers	Catalog Number
Sigma Aldrich	T81000 92828 92830 (more...)
MP Biomedicals	02157109 05219007
Alfa Aesar	A15067

Database	Data ID
PubChem	14227

M. W.

353.66844

CAS

1116-76-3

Similarity

N/A

ID: 74460

undecanoic acid

$$$$ Data More

M. F.

C11H22O2

Suppliers	Catalog Number
Sigma Aldrich	U0125 W324507 171476 (more...)
MP Biomedicals	05219703 02158320 02158321
Alfa Aesar	A11244

Database	Data ID
Wikipedia	Undecylic_acid
PubChem	8180

M. W.

186.29118

CAS

112-37-8

Similarity

N/A

ID: 74461

oxan-2-one

$$$$ Data

M. F.

C5H8O2

Suppliers	Catalog Number
Sigma Aldrich	389579 94585
Alfa Aesar	L04794
Apollo Scientific	OR10065

Database	Data ID
Wikipedia	Delta-Valerolactone
PubChem	10953

M. W.

100.11582

CAS

542-28-9

Similarity

N/A

ID: 74462

N-(2,5-dichloropentyl)acetamide

$$$$ Data

M. F.

C7H13Cl2NO

Suppliers	Catalog Number
Apollo Scientific	OR10067

Database	Data ID
PubChem	2737558

M. W.

198.09022

CAS

Similarity

N/A

ID: 74463

potassium 3-carboxyprop-2-ynoate

$$$$ Data

M. F.

C4HKO4

Suppliers	Catalog Number
Sigma Aldrich	A15401 01120
Apollo Scientific	OR10068
InterBioScreen	BB_SC-7180

Database	Data ID
PubChem	23677964

M. W.

152.14664

CAS

928-04-1

Similarity

N/A

ID: 74464

acridine

$$$$ Data More

M. F.

C13H9N

Suppliers	Catalog Number
Sigma Aldrich	A23609
MP Biomedicals	02150252
Alfa Aesar	L01657

Database	Data ID
Wikipedia	Acridine
PubChem	9215

M. W.

179.21726

CAS

260-94-6

Similarity

N/A

ID: 74465

N-[(1s,4s)-4-hydroxycyclohexyl]acetamide

$$$$ Data

M. F.

C8H15NO2

Suppliers	Catalog Number
Apollo Scientific	OR1007

Database	Data ID
PubChem	90074

M. W.

157.2102

CAS

Similarity

N/A

ID: 74466

(1s,4s)-4-aminocyclohexan-1-ol hydrochloride

$$$$ Data

M. F.

C6H14ClNO

Suppliers	Catalog Number
Apollo Scientific	OR10070
TRC	A603695
Bide Pharmatech	BD218880

Database	Data ID
PubChem	522619

M. W.

151.63446

CAS

56239-26-0

Similarity

N/A

ID: 74467

heptan-2-amine

$$$$ Data More

M. F.

C7H17N

Suppliers	Catalog Number
Sigma Aldrich	A56205 08040
MP Biomedicals	05207508
Alfa Aesar	B22863

Database	Data ID
Wikipedia	Tuaminoheptane
PubChem	5603

M. W.

115.21658

CAS

123-82-0

Similarity

N/A

ID: 74468

pentan-2-amine

$$$$ Data

M. F.

C5H13N

Suppliers	Catalog Number
Sigma Aldrich	171417
MP Biomedicals	05204160
Apollo Scientific	OR10075

Database	Data ID
PubChem	12246

M. W.

87.16342

CAS

63493-28-7

Similarity

N/A

ID: 74469

2-(1-benzothiophen-3-yl)acetic acid

$$$$ Data More

M. F.

C10H8O2S

Suppliers	Catalog Number
Alfa Aesar	L05855
Maybridge	S11080
Apollo Scientific	OR100752

Database	Data ID
PubChem	70799

M. W.

192.23432

CAS

1131-09-5

Similarity

N/A

ID: 74470

oxolan-2-ylmethanamine

$$$$ Data

M. F.

C5H11NO

Suppliers	Catalog Number
Sigma Aldrich	131911 87400
Alfa Aesar	L10790 B23068
Apollo Scientific	OR10076

Database	Data ID
PubChem	253298

M. W.

101.14694

CAS

7175-81-7

Similarity

N/A

ID: 74471

nonan-1-amine

$$$$ Data More

M. F.

C9H21N

Suppliers	Catalog Number
Sigma Aldrich	74398 N31001 74400
MP Biomedicals	05211512
Alfa Aesar	A18209

Database	Data ID
PubChem	16215

M. W.

143.26974

CAS

112-20-9

Similarity

N/A

ID: 74472

octan-1-amine

$$$$ Data More

M. F.

C8H19N

Suppliers	Catalog Number
Sigma Aldrich	O5802 74988 74992 (more...)
MP Biomedicals	02155979
Alfa Aesar	B24193

Database	Data ID
PubChem	8143

M. W.

129.24316

CAS

111-86-4

Similarity

N/A

ID: 74473

pentan-3-amine

$$$$ Data More

M. F.

C5H13N

Suppliers	Catalog Number
Sigma Aldrich	190195
MP Biomedicals	05213469
Alfa Aesar	L02250

Database	Data ID
PubChem	12019

M. W.

87.16342

CAS

616-24-0

Similarity

N/A

ID: 74474

5-aminopentan-1-ol

$$$$ Data More

M. F.

C5H13NO

Suppliers	Catalog Number
Sigma Aldrich	123048 11318
MP Biomedicals	05203576
Alfa Aesar	L01979

Database	Data ID
PubChem	75634

M. W.

103.16282

CAS

2508-29-4

Similarity

N/A

ID: 74475

(3-bromopropyl)benzene

$$$$ Data More

M. F.

C9H11Br

Suppliers	Catalog Number
Sigma Aldrich	B77207 79020
MP Biomedicals	05211787
Alfa Aesar	A14050

Database	Data ID
PubChem	12503

M. W.

199.08764

CAS

637-59-2

Similarity

N/A

ID: 74476

(4-chlorophenyl)methanamine

$$$$ Data More

M. F.

C7H8ClN

Suppliers	Catalog Number
Sigma Aldrich	C27409 23811
MP Biomedicals	05203800
Alfa Aesar	A13984

Database	Data ID
PubChem	66036

M. W.

141.59812

CAS

104-86-9

Similarity

N/A

ID: 74477

5-chloropentan-2-one

$$$$ Data More

M. F.

C5H9ClO

Suppliers	Catalog Number
Sigma Aldrich	C62603 25791
MP Biomedicals	05212405
Alfa Aesar	A10269

Database	Data ID
PubChem	79993

M. W.

120.57736

CAS

5891-21-4

Similarity

N/A

ID: 74478

(2-chlorophenyl)(cyclopentyl)methanone

$$$$ Data

M. F.

C12H13ClO

Suppliers	Catalog Number
Alfa Aesar	L06448
Apollo Scientific	OR10087
TRC	C377820

Database	Data ID
PubChem	81223

M. W.

208.68402

CAS

6740-85-8

Similarity

N/A

ID: 74479

1-[4-(benzyloxy)phenyl]propane-1,2-dione

$$$$ Data

M. F.

C16H14O3

Suppliers	Catalog Number
Apollo Scientific	OR1009

Database	Data ID
PubChem	6991956

M. W.

254.28056

CAS

Similarity

N/A

ID: 74480

cycloheptanol

$$$$ Data More

M. F.

C7H14O

Suppliers	Catalog Number
Sigma Aldrich	C98802
MP Biomedicals	05213890
Apollo Scientific	OR10091

Database	Data ID
PubChem	10399

M. W.

114.18546

CAS

502-41-0

Similarity

N/A

ID: 74481

cycloheptanamine

$$$$ Data More

M. F.

C7H15N

Suppliers	Catalog Number
Sigma Aldrich	C99604 28890
MP Biomedicals	05203875
Alfa Aesar	L01699

Database	Data ID
PubChem	2899

M. W.

113.2007

CAS

5452-35-7

Similarity

N/A

ID: 74482

cyclooctanone

$$$$ Data More

M. F.

C8H14O

Suppliers	Catalog Number
Sigma Aldrich	C109800 29620
MP Biomedicals	05204209
Alfa Aesar	B20911

Database	Data ID
PubChem	10403

M. W.

126.19616

CAS

502-49-8

Similarity

N/A

ID: 74483

cyclopentanol

$$$$ Data

M. F.

C5H10O

Suppliers	Catalog Number
Sigma Aldrich	C112208 29740
Alfa Aesar	A15249
Apollo Scientific	OR10094

Database	Data ID
Wikipedia	Cyclopentanol
PubChem	7298

M. W.

86.1323

CAS

91-41-3

Similarity

N/A

ID: 74484

cyclopentanone

$$$$ Data More

M. F.

C5H8O

Suppliers	Catalog Number
Sigma Aldrich	W391018 29770 08299 (more...)
MP Biomedicals	02150748
Alfa Aesar	A14222

Database	Data ID
Wikipedia	Cyclopentanone
PubChem	8452

M. W.

84.11642

CAS

120-92-3

Similarity

N/A

ID: 74485

cyclopentene

$$$$ Data More

M. F.

C5H8

Suppliers	Catalog Number
Sigma Aldrich	344508 29821
MP Biomedicals	05209116
Alfa Aesar	A11027 41461

Database	Data ID
Wikipedia	Cyclopentene
PubChem	8882

M. W.

68.11702

CAS

142-29-0

Similarity

N/A

ID: 74486

chlorocyclopentane

$$$$ Data More

M. F.

C5H9Cl

Suppliers	Catalog Number
Sigma Aldrich	155136 24190
Alfa Aesar	B25023
Apollo Scientific	OR10099

Database	Data ID
PubChem	70252

M. W.

104.57796

CAS

930-28-9

Similarity

N/A

ID: 74487

3-aminobenzene-1-thiol

$$$$ Data More

M. F.

C6H7NS

Suppliers	Catalog Number
Sigma Aldrich	143480
Alfa Aesar	B25473
Apollo Scientific	OR1010

Database	Data ID
PubChem	31577

M. W.

125.19148

CAS

22948-02-3

Similarity

N/A

ID: 74488

ethyl deca-2,4-dienoate

$$$$ Data

M. F.

C12H20O2

Suppliers	Catalog Number
Apollo Scientific	OR10101

Database	Data ID
Wikipedia	Ethyl_decadienoate
PubChem	5371455

M. W.

196.286

CAS

3025-30-7

Similarity

N/A

ID: 74489

methyl deca-2,4-dienoate

$$$$ Data

M. F.

C11H18O2

Suppliers	Catalog Number
Apollo Scientific	OR10102

Database	Data ID
PubChem	5463485

M. W.

182.25942

CAS

Similarity

N/A

ID: 74490

decanenitrile

$$$$ Data

M. F.

C10H19N

Suppliers	Catalog Number
MP Biomedicals	05208819
Alfa Aesar	A18798
Apollo Scientific	OR10103

Database	Data ID
PubChem	74791

M. W.

153.26456

CAS

1975-78-6

Similarity

N/A

ID: 74491

heptane-1,7-diamine

$$$$ Data More

M. F.

C7H18N2

Suppliers	Catalog Number
Sigma Aldrich	D17408 32990
MP Biomedicals	05210153 02157584
Alfa Aesar	L02853

Database	Data ID
PubChem	69533

M. W.

130.23122

CAS

646-19-5

Similarity

N/A

ID: 74492

nonane-1,9-diamine

$$$$ Data

M. F.

C9H22N2

Suppliers	Catalog Number
Sigma Aldrich	187127 33190
Alfa Aesar	L02043
Apollo Scientific	OR10105

Database	Data ID
PubChem	69534

M. W.

158.28438

CAS

646-24-2

Similarity

N/A

ID: 74493

2,3-dihydro-1-benzofuran-7-carbaldehyde

$$$$ Data More

M. F.

C9H8O2

Suppliers	Catalog Number
Key Organics	SS-3697
Maybridge	CC00904
Apollo Scientific	OR101068

Database	Data ID
PubChem	2795018

M. W.

148.15862

CAS

196799-45-8

Similarity

N/A

ID: 74494

1,6-dichlorohexane

$$$$ Data More

M. F.

C6H12Cl2

Suppliers	Catalog Number
Sigma Aldrich	D63809
MP Biomedicals	05212105
Alfa Aesar	B21763

Database	Data ID
PubChem	16551

M. W.

155.06548

CAS

2163-00-0

Similarity

N/A

ID: 74495

2,5-dichloropentan-1-amine hydrochloride

$$$$ Data

M. F.

C5H12Cl3N

Suppliers	Catalog Number
Sigma Aldrich	279110
Apollo Scientific	OR10108

Database	Data ID
PubChem	2737572

M. W.

192.51448

CAS

62922-45-6

Similarity

N/A

ID: 74496

dihexylamine

$$$$ Data More

M. F.

C12H27N

Suppliers	Catalog Number
Sigma Aldrich	131202
MP Biomedicals	05207009
Alfa Aesar	L06326

Database	Data ID
PubChem	8920

M. W.

185.34948

CAS

143-16-8

Similarity

N/A

ID: 74497

(2-aminoethyl)bis(propan-2-yl)amine

$$$$ Data More

M. F.

C8H20N2

Suppliers	Catalog Number
Sigma Aldrich	38320
MP Biomedicals	05212025
Alfa Aesar	L04765

Database	Data ID
PubChem	8459

M. W.

144.2578

CAS

121-05-1

Similarity

N/A

ID: 74498

1,3-dimethyladamantane

$$$$ Data More

M. F.

C12H20

Suppliers	Catalog Number
Alfa Aesar	A19684
Apollo Scientific	OR10112
Chemik	CHO0104

Database	Data ID
PubChem	12800

M. W.

164.2872

CAS

702-79-4

Similarity

N/A

ID: 74499

(2,2-dimethoxyethyl)dimethylamine

$$$$ Data

M. F.

C6H15NO2

Suppliers	Catalog Number
Apollo Scientific	OR10113

Database	Data ID
PubChem	123476

M. W.

133.1888

CAS

38711-20-5

Similarity

N/A

ID: 74500

1,3-dimethylimidazolidin-2-one

$$$$ Data More

M. F.

C5H10N2O

Suppliers	Catalog Number
Sigma Aldrich	40725 193453 40727 (more...)
MP Biomedicals	05221798
Alfa Aesar	A16001

Database	Data ID
Wikipedia	1,3-Dimethyl-2-imidazolidinone
PubChem	6661

M. W.

114.1457

CAS

80-73-9

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