Chembase list of 866358 unique molecular structures

5-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-thiazol-2-amine

$$$$ Data

M. F.

C9H15N3S2

Suppliers	Catalog Number
Bide Pharmatech	BD215926

Database	Data ID
PubChem	28782678

M. W.

229.3655

CAS

1042777-99-0

Similarity

N/A

ID: 289002

[5-bromo-2-(trifluoromethoxy)phenyl]methanol

$$$$ Data

M. F.

C8H6BrF3O2

Suppliers	Catalog Number
Bide Pharmatech	BD215928

Database	Data ID
PubChem	46835523

M. W.

271.0312496

CAS

685126-86-7

Similarity

N/A

ID: 289003

[5-bromo-2-(trifluoromethoxy)phenyl]methanamine

$$$$ Data

M. F.

C8H7BrF3NO

Suppliers	Catalog Number
Bide Pharmatech	BD215929

Database	Data ID
PubChem	46835524

M. W.

270.0464896

CAS

1152088-62-4

Similarity

N/A

ID: 289004

5-bromo-3-chloropyridin-2-ol

$$$$ Data

M. F.

C5H3BrClNO

Suppliers	Catalog Number
Bide Pharmatech	BD21593
A&J Pharmtech	AJA-O12655

Database	Data ID
PubChem	19050009

M. W.

208.44042

CAS

58236-70-7

Similarity

N/A

ID: 289005

5-chloro-2-(trifluoromethoxy)benzaldehyde

$$$$ Data

M. F.

C8H4ClF3O2

Suppliers	Catalog Number
Alfa Aesar	H31584
Bide Pharmatech	BD215930

Database	Data ID
PubChem	46835525

M. W.

224.5643696

CAS

1092461-15-8

Similarity

N/A

ID: 289006

methyl 3-(aminomethyl)-4-(trifluoromethoxy)benzoate

$$$$ Data

M. F.

C10H10F3NO3

Suppliers	Catalog Number
Bide Pharmatech	BD215931

Database	Data ID
PubChem	46835526

M. W.

249.1865096

CAS

1263280-11-0

Similarity

N/A

ID: 289007

[5-chloro-2-(trifluoromethoxy)phenyl]methanamine

$$$$ Data

M. F.

C8H7ClF3NO

Suppliers	Catalog Number
Bide Pharmatech	BD215932

Database	Data ID
PubChem	46835527

M. W.

225.5954896

CAS

874821-50-8

Similarity

N/A

ID: 289008

4-bromo-5-methyl-2-nitrophenol

$$$$ Data

M. F.

C7H6BrNO3

Suppliers	Catalog Number
Bide Pharmatech	BD215933

Database	Data ID
PubChem	23436403

M. W.

232.03144

CAS

182500-28-3

Similarity

N/A

ID: 289009

tert-butyl 3-(4-amino-2-methoxyphenoxy)azetidine-1-carboxylate

$$$$ Data

M. F.

C15H22N2O4

Suppliers	Catalog Number
Bide Pharmatech	BD215935

Database	Data ID
PubChem	46835556

M. W.

294.34618

CAS

960401-42-7

Similarity

N/A

ID: 289010

7,9-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-5-one hydrochloride

$$$$ Data

M. F.

C12H16ClNO

Suppliers	Catalog Number
Bide Pharmatech	BD215936

Database	Data ID
PubChem	57347307

M. W.

225.71454

CAS

1259393-22-0

Similarity

N/A

ID: 289011

3-cyclohexylphenol

$$$$ Data

M. F.

C12H16O

Suppliers	Catalog Number
Bide Pharmatech	BD215937

Database	Data ID
PubChem	16036

M. W.

176.25484

CAS

1943-95-9

Similarity

N/A

ID: 289012

1-(3-hydroxyphenyl)cyclohexane-1-carbonitrile

$$$$ Data

M. F.

C13H15NO

Suppliers	Catalog Number
Bide Pharmatech	BD215938

Database	Data ID
PubChem	46835558

M. W.

201.2643

CAS

1263285-86-4

Similarity

N/A

ID: 289013

tert-butyl spiro[indene-1,4'-piperidine]-1'-carboxylate

$$$$ Data

M. F.

C18H23NO2

Suppliers	Catalog Number
ChemBridge	4011973
Bide Pharmatech	BD215941

Database	Data ID
PubChem	3653579

M. W.

285.38072

CAS

137419-24-0

Similarity

N/A

ID: 289014

tert-butyl 3-amino-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

$$$$ Data

M. F.

C13H24N2O3

Suppliers	Catalog Number
ChemBridge	4045413
Bide Pharmatech	BD215942

Database	Data ID
PubChem	46835582

M. W.

256.34126

CAS

1160246-91-2

Similarity

N/A

ID: 289015

3-oxo-2,3-dihydro-1H-isoindole-5-carbonitrile

$$$$ Data

M. F.

C9H6N2O

Suppliers	Catalog Number
Bide Pharmatech	BD215943

Database	Data ID
PubChem	19788109

M. W.

158.15674

CAS

1261726-80-0

Similarity

N/A

ID: 289016

1H,2H,3H,4H-cyclopenta[b]indol-2-amine

$$$$ Data

M. F.

C11H12N2

Suppliers	Catalog Number
Bide Pharmatech	BD215945

Database	Data ID
PubChem	46835537

M. W.

172.22638

CAS

1263284-26-9

Similarity

N/A

ID: 289017

7-bromo-1H,2H,3H,4H-cyclopenta[b]indol-2-amine

$$$$ Data

M. F.

C11H11BrN2

Suppliers	Catalog Number
Bide Pharmatech	BD215946

Database	Data ID
PubChem	46835538

M. W.

251.12244

CAS

1196037-58-7

Similarity

N/A

ID: 289018

2-amino-1H,2H,3H,4H-cyclopenta[b]indole-7-carbonitrile

$$$$ Data

M. F.

C12H11N3

Suppliers	Catalog Number
Bide Pharmatech	BD215947

Database	Data ID
PubChem	46835539

M. W.

197.23584

CAS

1029691-09-5

Similarity

N/A

ID: 289019

6-fluoro-2-phenyl-1H-indole

$$$$ Data

M. F.

C14H10FN

Suppliers	Catalog Number
Bide Pharmatech	BD215948

Database	Data ID
PubChem	10680001

M. W.

211.2343032

CAS

255724-72-2

Similarity

N/A

ID: 289020

4-bromo-7-methoxy-1H-indole

$$$$ Data

M. F.

C9H8BrNO

Suppliers	Catalog Number
Bide Pharmatech	BD215949

Database	Data ID
PubChem	46835540

M. W.

226.06992

CAS

436091-59-7

Similarity

N/A

ID: 289021

4-bromo-1H-indol-7-ol

$$$$ Data

M. F.

C8H6BrNO

Suppliers	Catalog Number
Bide Pharmatech	BD215950

Database	Data ID
PubChem	46835541

M. W.

212.04334

CAS

1167056-91-8

Similarity

N/A

ID: 289022

2,2,2-trifluoro-1-(1H-indol-7-yl)ethan-1-ol

$$$$ Data

M. F.

C10H8F3NO

Suppliers	Catalog Number
Bide Pharmatech	BD215951

Database	Data ID
PubChem	46835542

M. W.

215.1718296

CAS

1263280-39-2

Similarity

N/A

ID: 289023

methyl 2-methylpyrimidine-4-carboxylate

$$$$ Data

M. F.

C7H8N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD215952

Database	Data ID
PubChem	12946332

M. W.

152.15062

CAS

73955-55-2

Similarity

N/A

ID: 289024

2-(trifluoromethyl)pyrimidine-4-carboxylic acid

$$$$ Data

M. F.

C6H3F3N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD215953

Database	Data ID
PubChem	46835572

M. W.

192.0954296

CAS

878742-59-7

Similarity

N/A

ID: 289025

3-bromo-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine

$$$$ Data

M. F.

C9H10BrN3

Suppliers	Catalog Number
Bide Pharmatech	BD215954

Database	Data ID
PubChem	2323996

M. W.

240.0998

CAS

146778-13-4

Similarity

N/A

ID: 289026

3-bromo-2,5-dimethyl-7-(propan-2-yl)pyrazolo[1,5-a]pyrimidine

$$$$ Data

M. F.

C11H14BrN3

Suppliers	Catalog Number
Bide Pharmatech	BD215955

Database	Data ID
PubChem	46835543

M. W.

268.15296

CAS

1263282-81-0

Similarity

N/A

ID: 289027

3-bromo-7-cyclohexyl-2,5-dimethylpyrazolo[1,5-a]pyrimidine

$$$$ Data

M. F.

C14H18BrN3

Suppliers	Catalog Number
Bide Pharmatech	BD215956

Database	Data ID
PubChem	46835544

M. W.

308.21682

CAS

1263286-18-5

Similarity

N/A

ID: 289028

3-bromo-7-(furan-2-yl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine

$$$$ Data

M. F.

C12H10BrN3O

Suppliers	Catalog Number
Bide Pharmatech	BD215957

Database	Data ID
PubChem	46835545

M. W.

292.1313

CAS

1263285-84-2

Similarity

N/A

ID: 289029

2-(morpholin-4-yl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethan-1-amine

$$$$ Data

M. F.

C11H15F3N4O

Suppliers	Catalog Number
Bide Pharmatech	BD215958

Database	Data ID
PubChem	46835573

M. W.

276.2582096

CAS

1192570-20-9

Similarity

N/A

ID: 289030

2-phenylquinoline-7-carbaldehyde

$$$$ Data

M. F.

C16H11NO

Suppliers	Catalog Number
Bide Pharmatech	BD215960

Database	Data ID
PubChem	46835546

M. W.

233.26464

CAS

867162-43-4

Similarity

N/A

ID: 289031

2-phenylquinoline-7-carboxylic acid

$$$$ Data

M. F.

C16H11NO2

Suppliers	Catalog Number
Bide Pharmatech	BD215961

Database	Data ID
PubChem	15946871

M. W.

249.26404

CAS

841297-69-6

Similarity

N/A

ID: 289032

(2-phenylquinolin-7-yl)methanol

$$$$ Data

M. F.

C16H13NO

Suppliers	Catalog Number
Bide Pharmatech	BD215962

Database	Data ID
PubChem	22062823

M. W.

235.28052

CAS

361457-37-6

Similarity

N/A

ID: 289033

methyl 7-bromo-2H-chromene-3-carboxylate

$$$$ Data

M. F.

C11H9BrO3

Suppliers	Catalog Number
Bide Pharmatech	BD215963

Database	Data ID
PubChem	46835559

M. W.

269.09136

CAS

1263285-65-9

Similarity

N/A

ID: 289034

4-[(4-fluorophenyl)methyl]-3-methyl-5-[(2R)-pyrrolidin-2-yl]-4H-1,2,4-triazole

$$$$ Data

M. F.

C14H17FN4

Suppliers	Catalog Number
Bide Pharmatech	BD215964

Database	Data ID
PubChem	46911926

M. W.

260.3099832

CAS

1263284-19-0

Similarity

N/A

ID: 289035

7-chloro-N-methylquinolin-4-amine

$$$$ Data

M. F.

C10H9ClN2

Suppliers	Catalog Number
Bide Pharmatech	BD215965

Database	Data ID
PubChem	11694064

M. W.

192.64486

CAS

21875-67-2

Similarity

N/A

ID: 289036

10-methyl-2H,3H,4H,10H-pyrimido[4,5-b]quinoline-2,4-dione

$$$$ Data

M. F.

C12H9N3O2

Suppliers	Catalog Number
Bide Pharmatech	BD215966

Database	Data ID
PubChem	267570

M. W.

227.21876

CAS

27132-53-2

Similarity

N/A

ID: 289037

5-chloro-10-methyl-2H,3H,4H,10H-pyrimido[4,5-b]quinoline-2,4-dione

$$$$ Data

M. F.

C12H8ClN3O2

Suppliers	Catalog Number
Bide Pharmatech	BD215967

Database	Data ID
PubChem	46835562

M. W.

261.66382

CAS

137347-70-7

Similarity

N/A

ID: 289038

2-(thiophen-2-yl)phenol

$$$$ Data

M. F.

C10H8OS

Suppliers	Catalog Number
Bide Pharmatech	BD215969

Database	Data ID
PubChem	3564195

M. W.

176.23492

CAS

106584-13-8

Similarity

N/A

ID: 289039

(2-aminoethyl)trimethylsilane hydrochloride

$$$$ Data

M. F.

C5H16ClNSi

Suppliers	Catalog Number
Bide Pharmatech	BD215971

Database	Data ID
PubChem	19812435

M. W.

153.72574

CAS

18135-30-3

Similarity

N/A

ID: 289040

5-bromo-2-methyl-3H-imidazo[4,5-b]pyridine

$$$$ Data

M. F.

C7H6BrN3

Suppliers	Catalog Number
Bide Pharmatech	BD215972

Database	Data ID
PubChem	22387961

M. W.

212.04664

CAS

219762-28-4

Similarity

N/A

ID: 289041

5-bromo-2-methyl-3-(3-methylbutyl)-3H-imidazo[4,5-b]pyridine

$$$$ Data

M. F.

C12H16BrN3

Suppliers	Catalog Number
Bide Pharmatech	BD215973

Database	Data ID
PubChem	46911925

M. W.

282.17954

CAS

1263281-65-7

Similarity

N/A

ID: 289042

methyl 5-amino-1-methyl-1H-pyrazole-3-carboxylate

$$$$ Data

M. F.

C6H9N3O2

Suppliers	Catalog Number
Bide Pharmatech	BD215974
A&J Pharmtech	AJA-O18480

Database	Data ID
PubChem	13324840

M. W.

155.15456

CAS

92406-53-6

Similarity

N/A

ID: 289043

methyl 5-iodo-1-methyl-1H-pyrazole-3-carboxylate

$$$$ Data

M. F.

C6H7IN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD215975

Database	Data ID
PubChem	46835547

M. W.

266.03645

CAS

1193244-87-9

Similarity

N/A

ID: 289044

ethyl 4-fluoro-1-benzothiophene-2-carboxylate

$$$$ Data

M. F.

C11H9FO2S

Suppliers	Catalog Number
Bide Pharmatech	BD215976

Database	Data ID
PubChem	46835548

M. W.

224.2513632

CAS

1263280-02-9

Similarity

N/A

ID: 289045

4-fluoro-1-benzothiophene

$$$$ Data

M. F.

C8H5FS

Suppliers	Catalog Number
Bide Pharmatech	BD215977

Database	Data ID
PubChem	19088017

M. W.

152.1887032

CAS

310466-38-7

Similarity

N/A

ID: 289046

ethyl 3-bromo-4-methyl-1H-pyrazole-5-carboxylate

$$$$ Data

M. F.

C7H9BrN2O2

Suppliers	Catalog Number
Bide Pharmatech	BD215978
A&J Pharmtech	AJA-O1872

Database	Data ID
PubChem	45790711

M. W.

233.06256

CAS

1257861-04-3

Similarity

N/A

ID: 289047

ethyl 4-methyl-1H-pyrazole-3-carboxylate

$$$$ Data

M. F.

C7H10N2O2

Suppliers	Catalog Number
Bide Pharmatech	BD58919 BD215979
A&J Pharmtech	AJA-O2575 AJA-O3166

Database	Data ID
PubChem	13405303

M. W.

154.1665

CAS

856061-38-6

Similarity

N/A

ID: 289048

2,4-dimethyl-5-nitrobenzoic acid

$$$$ Data

M. F.

C9H9NO4

Suppliers	Catalog Number
Bide Pharmatech	BD215982
A&J Pharmtech	AJA-O6173

Database	Data ID
PubChem	601141

M. W.

195.17206

CAS

220504-75-6

Similarity

N/A

ID: 289049

4-amino-3-chloro-N,N-dimethylbenzene-1-sulfonamide

$$$$ Data

M. F.

C8H11ClN2O2S

Suppliers	Catalog Number
Bide Pharmatech	BD215984

Database	Data ID
PubChem	205923

M. W.

234.70314

CAS

19021-35-3

Similarity

N/A

ID: 289050

4-amino-3-chloro-N-methylbenzene-1-sulfonamide

$$$$ Data

M. F.

C7H9ClN2O2S

Suppliers	Catalog Number
Bide Pharmatech	BD215985

Database	Data ID
PubChem	211073

M. W.

220.67656

CAS

22185-74-6

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