Chembase list of 866358 unique molecular structures

2-amino-3,3,3-trifluoro-2-methylpropanoic acid

$$$$ Data

M. F.

C4H6F3NO2

Suppliers	Catalog Number
Apollo Scientific	PC2047
Enamine	EN300-90127

Database	Data ID
PubChem	5311799

M. W.

157.0911496

CAS

Similarity

N/A

ID: 94602

4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-amine

$$$$ Data

M. F.

C9H10F3N3

Suppliers	Catalog Number
Apollo Scientific	PC2048
Life Chemicals	F1371-0311

Database	Data ID
PubChem	640492

M. W.

217.1910096

CAS

Similarity

N/A

ID: 94603

2-[4-(bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

$$$$ Data

M. F.

C10H7BrF6O

Suppliers	Catalog Number
Apollo Scientific	PC2049

Database	Data ID
PubChem	23527396

M. W.

337.0563992

CAS

202134-57-4

Similarity

N/A

ID: 94604

1-chloro-1,2,2-trifluoroethene

$$$$ Data

M. F.

C2ClF3

Suppliers	Catalog Number
Sigma Aldrich	295167
Apollo Scientific	PC2050

Database	Data ID
Wikipedia	Chlorotrifluoroethylene
PubChem	6594

M. W.

116.4696096

CAS

79-38-9

Similarity

N/A

ID: 94605

ammonium 2-amino-1,1,1,3,3,3-hexafluoropropan-2-olate

$$$$ Data

M. F.

C3H6F6N2O

Suppliers	Catalog Number
Apollo Scientific	PC2053

Database	Data ID
PubChem	44717316

M. W.

200.0829592

CAS

Similarity

N/A

ID: 94606

5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-one

$$$$ Data

M. F.

C13H15F3O2

Suppliers	Catalog Number
Apollo Scientific	PC2055
TRC	F603700

Database	Data ID
PubChem	527103

M. W.

260.2522096

CAS

61718-80-7

Similarity

N/A

ID: 94607

{4-[N-(4-fluorophenyl)carboximidoyl]phenyl}boronic acid

$$$$ Data

M. F.

C13H11BFNO2

Suppliers	Catalog Number
Apollo Scientific	PC2058

Database	Data ID
PubChem	44717322

M. W.

243.0413432

CAS

Similarity

N/A

ID: 94608

(4-{[(4-fluorophenyl)amino]methyl}phenyl)boronic acid

$$$$ Data

M. F.

C13H13BFNO2

Suppliers	Catalog Number
Apollo Scientific	PC2059

Database	Data ID
PubChem	44717323

M. W.

245.0572232

CAS

Similarity

N/A

ID: 94609

1,1,1,3-tetrafluorobut-2-ene

$$$$ Data

M. F.

C4H4F4

Suppliers	Catalog Number
Apollo Scientific	PC2061 PC2071

Database	Data ID
PubChem	44717370

M. W.

128.0681728

CAS

791616-87-0

Similarity

N/A

ID: 94610

4,4,4-trifluorobut-1-ene

$$$$ Data

M. F.

C4H5F3

Suppliers	Catalog Number
Apollo Scientific	PC2062

Database	Data ID
PubChem	10887850

M. W.

110.0777096

CAS

1524-26-1

Similarity

N/A

ID: 94611

methyl 3-(4-fluorophenyl)-2-isocyanatopropanoate

$$$$ Data

M. F.

C11H10FNO3

Suppliers	Catalog Number
Apollo Scientific	PC2066

Database	Data ID
PubChem	44717326

M. W.

223.2004032

CAS

Similarity

N/A

ID: 94612

methyl 2-(4-fluorophenyl)-2-isocyanatoacetate

$$$$ Data

M. F.

C10H8FNO3

Suppliers	Catalog Number
Apollo Scientific	PC2067

Database	Data ID
PubChem	44717327

M. W.

209.1738232

CAS

Similarity

N/A

ID: 94613

5-[(3aS,4R,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]-N'-[(pentaflu...

$$$$ Data

M. F.

C17H17F5N4O2S

Suppliers	Catalog Number
Apollo Scientific	PC2069

Database	Data ID
PubChem	71299607

M. W.

436.399496

CAS

Similarity

N/A

ID: 94614

2-chloro-1,1,2-trifluoro-1-methoxyethane

$$$$ Data

M. F.

C3H4ClF3O

Suppliers	Catalog Number
Apollo Scientific	PC2070

Database	Data ID
PubChem	9877

M. W.

148.5114696

CAS

425-87-6

Similarity

N/A

ID: 94615

4-chloro-6-(trifluoromethyl)-1H-1,3-benzodiazole

$$$$ Data

M. F.

C8H4ClF3N2

Suppliers	Catalog Number
Apollo Scientific	PC2073R

Database	Data ID
PubChem	2736676

M. W.

220.5789696

CAS

175135-13-4

Similarity

N/A

ID: 94616

[2-chloro-5-(trifluoromethyl)phenyl]hydrazine

$$$$ Data

M. F.

C7H6ClF3N2

Suppliers	Catalog Number
Maybridge	RF01368
Apollo Scientific	PC2074M
Enamine	EN300-33950

Database	Data ID
PubChem	2060249

M. W.

210.5841496

CAS

1869-22-3

Similarity

N/A

ID: 94617

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

$$$$ Data

M. F.

C8H3ClF3NO

Suppliers	Catalog Number
Sigma Aldrich	374865
Alfa Aesar	L09899
Apollo Scientific	PC2074NE

Database	Data ID
PubChem	2733263

M. W.

221.5637296

CAS

50528-86-4

Similarity

N/A

ID: 94618

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

$$$$ Data

M. F.

C8H3ClF3NO

Suppliers	Catalog Number
Sigma Aldrich	374873
Alfa Aesar	L09850
Apollo Scientific	PC2074NG

Database	Data ID
PubChem	2733264

M. W.

221.5637296

CAS

16588-69-5

Similarity

N/A

ID: 94619

[2-chloro-5-(trifluoromethyl)phenyl]thiourea

$$$$ Data

M. F.

C8H6ClF3N2S

Suppliers	Catalog Number
Alfa Aesar	B22248
Apollo Scientific	PC2074T

Database	Data ID
PubChem	2736693

M. W.

254.6598496

CAS

21714-35-2

Similarity

N/A

ID: 94620

3-chloro-5-(trifluoromethyl)pyridine-2-carbothioamide

$$$$ Data

M. F.

C7H4ClF3N2S

Suppliers	Catalog Number
Apollo Scientific	PC2075I

Database	Data ID
PubChem	2736701

M. W.

240.6332696

CAS

175277-46-0

Similarity

N/A

ID: 94621

λ²-chromium(2+) ion difluoride

$$$$ Data

M. F.

CrF2

Suppliers	Catalog Number
MP Biomedicals	05202819
Alfa Aesar	24107
Apollo Scientific	PC2077

Database	Data ID
PubChem	24884258

M. W.

89.9929064

CAS

10049-10-2

Similarity

N/A

ID: 94622

chromium(3+) ion trihydrate trifluoride

$$$$ Data

M. F.

CrF3O3

Suppliers	Catalog Number
Apollo Scientific	PC2077Y

Database	Data ID
PubChem	21330797

M. W.

156.9895096

CAS

16671-27-5

Similarity

N/A

ID: 94623

chromium(3+) ion trifluoride

$$$$ Data

M. F.

CrF3

Suppliers	Catalog Number
Alfa Aesar	35741
Apollo Scientific	PC2078

Database	Data ID
PubChem	10154021

M. W.

108.9913096

CAS

7788-97-8

Similarity

N/A

ID: 94624

chromium(3+) ion tritrifluoroacetate

$$$$ Data

M. F.

C6CrF9O6

Suppliers	Catalog Number
Apollo Scientific	PC2078E

Database	Data ID
PubChem	2736720

M. W.

391.0423288

CAS

16712-29-1

Similarity

N/A

ID: 94625

3,5-dichloro-2,6-difluoropyridine

$$$$ Data

M. F.

C5HCl2F2N

Suppliers	Catalog Number
Apollo Scientific	PC2079

Database	Data ID
PubChem	643277

M. W.

183.9709464

CAS

698-51-1

Similarity

N/A

ID: 94626

λ²-cobalt(2+) ion difluoride

$$$$ Data

M. F.

CoF2

Suppliers	Catalog Number
Alfa Aesar	13074 35740
Apollo Scientific	PC2080

Database	Data ID
PubChem	10219383

M. W.

96.9300064

CAS

10026-17-2

Similarity

N/A

ID: 94627

3,4,4,4-tetrafluoro-3-(heptafluoropropoxy)but-1-yne

$$$$ Data

M. F.

C7HF11O

Suppliers	Catalog Number
Apollo Scientific	PC2081

Database	Data ID
PubChem	2776673

M. W.

310.0646752

CAS

Similarity

N/A

ID: 94628

4,5,5,5-tetrafluoro-4-(heptafluoropropoxy)-2-iodopent-2-en-1-ol

$$$$ Data

M. F.

C8H4F11IO2

Suppliers	Catalog Number
Apollo Scientific	PC2082

Database	Data ID
PubChem	5708712

M. W.

468.0030652

CAS

Similarity

N/A

ID: 94629

1-[3,5-bis(heptafluoropropyl)-1H-pyrazol-1-yl]-2,2,2-trifluoroethan-1-one

$$$$ Data

M. F.

C11HF17N2O

Suppliers	Catalog Number
Apollo Scientific	PC2083

Database	Data ID
PubChem	2737796

M. W.

500.1112944

CAS

Similarity

N/A

ID: 94630

2,2,2-trifluoro-1-[5-(heptafluoropropyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]eth...

$$$$ Data

M. F.

C9HF13N2O

Suppliers	Catalog Number
Apollo Scientific	PC2084

Database	Data ID
PubChem	2774951

M. W.

400.0962816

CAS

Similarity

N/A

ID: 94631

cobalt(2+) ion bis(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)

$$$$ Data

M. F.

C10H2CoF12O4

Suppliers	Catalog Number
Alfa Aesar	41594
Apollo Scientific	PC2085

Database	Data ID
PubChem	5702842

M. W.

473.0345184

CAS

19648-83-0

Similarity

N/A

ID: 94632

pentafluorophenyl N-(5-{5-[(3aS,4S,6aS)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol...

$$$$ Data

M. F.

C22H27F5N4O4S

Suppliers	Catalog Number
Apollo Scientific	PC2086

Database	Data ID
PubChem	71299608

M. W.

538.531196

CAS

Similarity

N/A

ID: 94633

2-(benzylamino)-2-(4-fluorophenyl)acetic acid

$$$$ Data

M. F.

C15H14FNO2

Suppliers	Catalog Number
Apollo Scientific	PC2088

Database	Data ID
PubChem	10999778

M. W.

259.2755632

CAS

200000-54-0

Similarity

N/A

ID: 94634

(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)trimethoxysilane

$$$$ Data

M. F.

C13H13F17O3Si

Suppliers	Catalog Number
Apollo Scientific	PC2091
T&W Pharma.	TW000042

Database	Data ID
PubChem	2782918

M. W.

568.2988744

CAS

83048-65-1

Similarity

N/A

ID: 94635

2-(benzylamino)-2-(3-fluorophenyl)acetic acid

$$$$ Data

M. F.

C15H14FNO2

Suppliers	Catalog Number
Apollo Scientific	PC2092

Database	Data ID
PubChem	44717357

M. W.

259.2755632

CAS

271583-22-2

Similarity

N/A

ID: 94636

copper(2+) ion bis(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate) hydrate

$$$$ Data

M. F.

C10H4CuF12O5

Suppliers	Catalog Number
Alfa Aesar	B25284
Apollo Scientific	PC2093

Database	Data ID
PubChem	15860928

M. W.

495.6625984

CAS

155640-85-0

Similarity

N/A

ID: 94637

copper(2+) ion bis(tetrafluoroboranuide) hexahydrate

$$$$ Data

M. F.

B2CuF8H12O6

Suppliers	Catalog Number
Apollo Scientific	PC2095

Database	Data ID
PubChem	15774553

M. W.

345.2469056

CAS

72259-10-0

Similarity

N/A

ID: 94638

copper(2+) ion bis((2Z)-1,1,1-trifluoro-4-oxopent-2-en-2-olate)

$$$$ Data

M. F.

C10H8CuF6O4

Suppliers	Catalog Number
Alfa Aesar	44516
Apollo Scientific	PC2096

Database	Data ID
PubChem	5483683

M. W.

369.7045392

CAS

14324-82-4

Similarity

N/A

ID: 94639

copper(2+) ion ditrifluoromethanesulfonate

$$$$ Data

M. F.

C2CuF6O6S2

Suppliers	Catalog Number
Alfa Aesar	40133 B20253
Apollo Scientific	PC2096E
Enamine	EN300-101367

Database	Data ID
Wikipedia	Copper(II)_triflate
PubChem	2734996

M. W.

361.6842192

CAS

34946-82-2

Similarity

N/A

ID: 94640

$l^{1}-copper(1+) ion (trifluoromethyl)sulfanide

$$$$ Data

M. F.

CCuF3S

Suppliers	Catalog Number
Apollo Scientific	PC2096G

Database	Data ID
PubChem	2736725

M. W.

164.6169096

CAS

3872-23-9

Similarity

N/A

ID: 94641

phenyl(2,3,5-trifluorophenyl)methanone

$$$$ Data

M. F.

C13H7F3O

Suppliers	Catalog Number
Apollo Scientific	PC2097

Database	Data ID
PubChem	2777006

M. W.

236.1892896

CAS

Similarity

N/A

ID: 94642

2,2,2-trifluoro-N'-(trifluoroacetyl)acetohydrazide

$$$$ Data

M. F.

C4H2F6N2O2

Suppliers	Catalog Number
Apollo Scientific	PC2098

Database	Data ID
PubChem	229754

M. W.

224.0612992

CAS

Similarity

N/A

ID: 94643

2-(benzylamino)-2-(2-fluorophenyl)acetic acid

$$$$ Data

M. F.

C15H14FNO2

Suppliers	Catalog Number
Apollo Scientific	PC2099

Database	Data ID
PubChem	44717358

M. W.

259.2755632

CAS

271583-21-2

Similarity

N/A

ID: 94644

copper(2+) ion difluoride

$$$$ Data

M. F.

CuF2

Suppliers	Catalog Number
MP Biomedicals	05224127
Alfa Aesar	11489
Apollo Scientific	PC2100

Database	Data ID
Wikipedia	Copper(II)_fluoride
PubChem	82236

M. W.

101.5428064

CAS

7789-19-7

Similarity

N/A

ID: 94645

1,1,2,2,3,3,4,4-octafluoro-1-[(heptafluoropropan-2-yl)oxy]-4-iodobutane

$$$$ Data

M. F.

C7F15IO

Suppliers	Catalog Number
Apollo Scientific	PC2101

Database	Data ID
PubChem	13597444

M. W.

511.954818

CAS

25080-17-5

Similarity

N/A

ID: 94646

4-methoxyphenyl trifluoromethanesulfonate

$$$$ Data

M. F.

C8H7F3O4S

Suppliers	Catalog Number
Apollo Scientific	PC2102

Database	Data ID
PubChem	579337

M. W.

256.1989896

CAS

66107-29-7

Similarity

N/A

ID: 94647

2-{[(tert-butoxy)carbonyl]amino}-2-(4-fluorophenyl)acetic acid

$$$$ Data

M. F.

C13H16FNO4

Suppliers	Catalog Number
Apollo Scientific	PC2107

Database	Data ID
PubChem	21901296

M. W.

269.2688432

CAS

142121-93-5

Similarity

N/A

ID: 94648

2-{[(benzyloxy)carbonyl]amino}-2-(2-fluorophenyl)acetic acid

$$$$ Data

M. F.

C16H14FNO4

Suppliers	Catalog Number
Apollo Scientific	PC2109

Database	Data ID
PubChem	14521429

M. W.

303.2850632

CAS

12441-53-8

Similarity

N/A

ID: 94649

cyclopropylmethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate

$$$$ Data

M. F.

C10H8ClF3N2O2

Suppliers	Catalog Number
Maybridge	GK02011
Apollo Scientific	PC2115

Database	Data ID
PubChem	2736744

M. W.

280.6309296

CAS

175137-31-2

Similarity

N/A

ID: 94650

4,5,5,5-tetrafluoro-4-(trifluoromethoxy)pentan-2-one

$$$$ Data

M. F.

C6H5F7O2

Suppliers	Catalog Number
Apollo Scientific	PC2121

Database	Data ID
PubChem	2776783

M. W.

242.0915224

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