Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C7H15NO2

Suppliers	Catalog Number
MP Biomedicals	05215069

Database	Data ID
PubChem	253127

M. W.

145.1995

CAS

32188-28-6

Similarity

N/A

ID: 110452

N,N-dimethyl-4-[2-(4-methylphenyl)diazen-1-yl]aniline

$$$$ Data

M. F.

C15H17N3

Suppliers	Catalog Number
MP Biomedicals	05215070
Alfa Aesar	A18575

Database	Data ID
PubChem	18168

M. W.

239.31558

CAS

3010-57-9

Similarity

N/A

ID: 110453

2-methoxy-6-nitrobenzene-1-diazonium chloride

$$$$ Data

M. F.

C7H6ClN3O3

Suppliers	Catalog Number
MP Biomedicals	05215083

Database	Data ID
PubChem	44135762

M. W.

215.59384

CAS

Similarity

N/A

ID: 110454

[(6,9-dichloroacridin-2-yl)oxy](propyl)amine

$$$$ Data

M. F.

C16H14Cl2N2O

Suppliers	Catalog Number
MP Biomedicals	05215097

Database	Data ID
PubChem	25021272

M. W.

321.20116

CAS

6940-92-7

Similarity

N/A

ID: 110455

2-methylundecanal

$$$$ Data

M. F.

C12H24O

Suppliers	Catalog Number
MP Biomedicals	05215099 05216074
InterBioScreen	BB_SC-9892 STOCK1N-73273

Database	Data ID
Wikipedia	2-Methylundecanal
PubChem	61031

M. W.

184.31836

CAS

110-41-8

Similarity

N/A

ID: 110456

sulfuric acid bis((1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phe...

$$$$ Data

M. F.

C34H50N2O11S

Suppliers	Catalog Number
MP Biomedicals	05215100

Database	Data ID
PubChem	656678

M. W.

694.8326

CAS

5908-99-6

Similarity

N/A

ID: 110457

4-(phenylamino)phenol

$$$$ Data

M. F.

C12H11NO

Suppliers	Catalog Number
MP Biomedicals	05215109
Alfa Aesar	L18945
Bide Pharmatech	BD17817

Database	Data ID
PubChem	31208

M. W.

185.22184

CAS

122-37-2

Similarity

N/A

ID: 110458

[(tellanylidenestibanyl)tellanyl]stibanetellone

$$$$ Data

M. F.

H2Sb2Te3

Suppliers	Catalog Number
Sigma Aldrich	733490
MP Biomedicals	05215113

Database	Data ID
PubChem	6369653

M. W.

628.33588

CAS

1327-50-0

Similarity

N/A

ID: 110459

3-methylbutyl dodecanoate

$$$$ Data

M. F.

C17H34O2

Suppliers	Catalog Number
Sigma Aldrich	W207705
MP Biomedicals	05215120
Alfa Aesar	42022

Database	Data ID
PubChem	61386

M. W.

270.45066

CAS

6309-51-9

Similarity

N/A

ID: 110460

3-methylbutyl 2-hydroxy-2-phenylacetate

$$$$ Data

M. F.

C13H18O3

Suppliers	Catalog Number
Sigma Aldrich	M3375
MP Biomedicals	05215121

Database	Data ID
PubChem	95396

M. W.

222.28022

CAS

95360-05-7

Similarity

N/A

ID: 110461

pentanedinitrile

$$$$ Data More

M. F.

C5H6N2

Suppliers	Catalog Number
Sigma Aldrich	130621 49730
MP Biomedicals	05215123
Alfa Aesar	B23663

Database	Data ID
Wikipedia	Glutaronitrile
PubChem	10994

M. W.

94.11454

CAS

544-13-8

Similarity

N/A

ID: 110462

1-ferra-1,1'-spirobi[pentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]

$$$$ Data

M. F.

C10H10Fe

Suppliers	Catalog Number
MP Biomedicals	05215124

Database	Data ID
PubChem	11985121

M. W.

186.0314

CAS

102-54-5

Similarity

N/A

ID: 110463

ethyl 2-(methylsulfanyl)acetate

$$$$ Data

M. F.

C5H10O2S

Suppliers	Catalog Number
Sigma Aldrich	209716 W383503
MP Biomedicals	05215125
Alfa Aesar	B24285

Database	Data ID
PubChem	78199

M. W.

134.1967

CAS

4455-13-4

Similarity

N/A

ID: 110464

N-cyclohexylcyclohexanamine; nitrous acid

$$$$ Data

M. F.

C12H24N2O2

Suppliers	Catalog Number
Sigma Aldrich	317837
MP Biomedicals	05215126

Database	Data ID
PubChem	241753

M. W.

228.33116

CAS

3129-91-7

Similarity

N/A

ID: 110465

1,4-dicyclohexylbenzene

$$$$ Data

M. F.

C18H26

Suppliers	Catalog Number
MP Biomedicals	05215127
Alfa Aesar	A18708

Database	Data ID
PubChem	70664

M. W.

242.39904

CAS

1087-02-1

Similarity

N/A

ID: 110466

icosane

$$$$ Data More

M. F.

C20H42

Suppliers	Catalog Number
Sigma Aldrich	E9752 219274 44818 (more...)
MP Biomedicals	05215128
Alfa Aesar	A13853

Database	Data ID
Wikipedia	Icosane
PubChem	8222

M. W.

282.54748

CAS

112-95-8

Similarity

N/A

ID: 110467

henicosan-11-one

$$$$ Data

M. F.

C21H42O

Suppliers	Catalog Number
MP Biomedicals	05215139

Database	Data ID
PubChem	29776

M. W.

310.55758

CAS

19781-72-7

Similarity

N/A

ID: 110468

2-[(diethylamino)methyl]-3,6-dimethylphenol

$$$$ Data

M. F.

C13H21NO

Suppliers	Catalog Number
MP Biomedicals	05215145

Database	Data ID
PubChem	246662

M. W.

207.31194

CAS

6630-03-1

Similarity

N/A

ID: 110469

oxo[(oxoneodymio)oxy]neodymium; oxo[(oxopraseodymio)oxy]praseodymium

$$$$ Data

M. F.

Nd2O6Pr2

Suppliers	Catalog Number
MP Biomedicals	05215146

Database	Data ID
PubChem	44135820

M. W.

666.2917

CAS

Similarity

N/A

ID: 110470

ethyl 5-nitro-3-phenyl-1H-indole-2-carboxylate

$$$$ Data

M. F.

C17H14N2O4

Suppliers	Catalog Number
MP Biomedicals	05215147

Database	Data ID
PubChem	741309

M. W.

310.30406

CAS

Similarity

N/A

ID: 110471

bis(3-(azaniumylmethyl)heptane); bis(hexafluoro-$l^{5}-phosphanuide)

$$$$ Data

M. F.

C16H40F12N2P2

Suppliers	Catalog Number
MP Biomedicals	05215148

Database	Data ID
PubChem	44135569

M. W.

550.4305604

CAS

Similarity

N/A

ID: 110472

1-ethyl-3-isocyanatobenzene

$$$$ Data

M. F.

C9H9NO

Suppliers	Catalog Number
Sigma Aldrich	478121
MP Biomedicals	05215151
Alfa Aesar	L12699

Database	Data ID
PubChem	2769637

M. W.

147.17386

CAS

23138-58-1

Similarity

N/A

ID: 110473

N'-ethyl-1-phenoxymethanimidamide

$$$$ Data

M. F.

C9H12N2O

Suppliers	Catalog Number
MP Biomedicals	05215157

Database	Data ID
PubChem	25021630

M. W.

164.20438

CAS

Similarity

N/A

ID: 110474

ethoxyphosphinic acid

$$$$ Data

M. F.

C2H7O3P

Suppliers	Catalog Number
MP Biomedicals	05215159

Database	Data ID
PubChem	6328134

M. W.

110.048941

CAS

6779-09-5

Similarity

N/A

ID: 110475

1-isocyanato-4-(4-isocyanato-3-methoxyphenyl)-2-methoxybenzene

$$$$ Data

M. F.

C16H12N2O4

Suppliers	Catalog Number
MP Biomedicals	05215172

Database	Data ID
PubChem	7069

M. W.

296.27748

CAS

91-93-0

Similarity

N/A

ID: 110476

6-ethyloctan-3-ol

$$$$ Data

M. F.

C10H22O

Suppliers	Catalog Number
MP Biomedicals	05215177

Database	Data ID
PubChem	140601

M. W.

158.28108

CAS

19781-27-2

Similarity

N/A

ID: 110477

ethyl 3,4,5-trihydroxybenzoate

$$$$ Data More

M. F.

C9H10O5

Suppliers	Catalog Number
Sigma Aldrich	48640
BioBioPha	BBP00866
MP Biomedicals	05215180 05221963

Database	Data ID
Wikipedia	Ethyl_gallate
PubChem	13250

M. W.

198.1727

CAS

831-61-8

Similarity

N/A

ID: 110478

ethyl propanoate

$$$$ Data

M. F.

C5H10O2

Suppliers	Catalog Number
Sigma Aldrich	112305 W245615 W245607 (more...)
MP Biomedicals	05215182
Alfa Aesar	A16650 15498

Database	Data ID
PubChem	7749

M. W.

102.1317

CAS

105-37-3

Similarity

N/A

ID: 110479

ethyl 4,4-dimethyl-3-oxopentanoate

$$$$ Data More

M. F.

C9H16O3

Suppliers	Catalog Number
Sigma Aldrich	80940
MP Biomedicals	05215183
Alfa Aesar	A19752

Database	Data ID
PubChem	86950

M. W.

172.22154

CAS

17094-34-7

Similarity

N/A

ID: 110480

diiron(3+) ion tris(oxostannanebis(olate))

$$$$ Data

M. F.

Fe2O9Sn3

Suppliers	Catalog Number
MP Biomedicals	05215194

Database	Data ID
PubChem	22153380

M. W.

611.7876

CAS

Similarity

N/A

ID: 110481

3,7-dimethylocta-2,6-dien-1-yl nonanoate

$$$$ Data

M. F.

C19H34O2

Suppliers	Catalog Number
MP Biomedicals	05215196

Database	Data ID
PubChem	6437207

M. W.

294.47206

CAS

68039-29-2

Similarity

N/A

ID: 110482

$l^{2}-lead(2+) ion dioctanoate

$$$$ Data

M. F.

C16H30O4Pb

Suppliers	Catalog Number
MP Biomedicals	05215204

Database	Data ID
PubChem	6432674

M. W.

493.607

CAS

7319-86-0

Similarity

N/A

ID: 110483

plumbanone

$$$$ Data

M. F.

OPb

Suppliers	Catalog Number
Sigma Aldrich	203610 15338 402982 (more...)
MP Biomedicals	05215205

Database	Data ID
PubChem	14827

M. W.

223.1994

CAS

1317-36-8

Similarity

N/A

ID: 110484

$l^{2}-lead(2+) ion dihexadecanoate

$$$$ Data

M. F.

C32H62O4Pb

Suppliers	Catalog Number
MP Biomedicals	05215206

Database	Data ID
PubChem	25021833

M. W.

718.03228

CAS

15773-56-5

Similarity

N/A

ID: 110485

ethyl 4-hydroxy-8-methoxyquinoline-2-carboxylate

$$$$ Data

M. F.

C13H13NO4

Suppliers	Catalog Number
MP Biomedicals	05215216

Database	Data ID
PubChem	521698

M. W.

247.24662

CAS

Similarity

N/A

ID: 110486

6,10,14-trimethylpentadeca-5,9,13-trien-2-one

$$$$ Data More

M. F.

C18H30O

Suppliers	Catalog Number
Sigma Aldrich	46195
MP Biomedicals	05215219
Alfa Aesar	A19234

Database	Data ID
PubChem	1711945

M. W.

262.4302

CAS

1117-52-8

Similarity

N/A

ID: 110487

3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)ox...

$$$$ Data

M. F.

C22H23NO13

Suppliers	Catalog Number
MP Biomedicals	05215220

Database	Data ID
PubChem	44135790

M. W.

509.41692

CAS

Similarity

N/A

ID: 110488

[(2R,3R,4S,5R,6R)-4,5,6-tris(acetyloxy)-3-{[(2S,3R,4S,5R,6R)-3,4,5-tris(acetylox...

$$$$ Data

M. F.

C28H38O19

Suppliers	Catalog Number
Sigma Aldrich	101575 22160
MP Biomedicals	05215226

Database	Data ID
PubChem	111065

M. W.

678.58992

CAS

5346-90-7

Similarity

N/A

ID: 110489

thiane

$$$$ Data

M. F.

C5H10S

Suppliers	Catalog Number
Sigma Aldrich	P7002
MP Biomedicals	05215242
Alfa Aesar	L03063

Database	Data ID
Wikipedia	Thiane
PubChem	15367

M. W.

102.1979

CAS

1613-51-0

Similarity

N/A

ID: 110490

(1S,2R,5S,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.0¹,⁵]un...

$$$$ Data

M. F.

C15H26O

Suppliers	Catalog Number
MP Biomedicals	05215244

Database	Data ID
Wikipedia	Cedrol
PubChem	65575

M. W.

222.36634

CAS

77-53-2

Similarity

N/A

ID: 110491

tetrafluorocerium

$$$$ Data

M. F.

CeF4

Suppliers	Catalog Number
Sigma Aldrich	435937
MP Biomedicals	05215247

Database	Data ID
PubChem	82331

M. W.

216.1096128

CAS

10060-10-3

Similarity

N/A

ID: 110492

(2-aminoethoxy)[2,3-bis(acetyloxy)propoxy]phosphinic acid

$$$$ Data

M. F.

C9H18NO8P

Suppliers	Catalog Number
MP Biomedicals	05215249

Database	Data ID
PubChem	21668201

M. W.

299.214881

CAS

90989-93-8

Similarity

N/A

ID: 110493

2-chloro-4-methylquinoline

$$$$ Data More

M. F.

C10H8ClN

Suppliers	Catalog Number
Sigma Aldrich	C48805 24950
MP Biomedicals	05215250
Alfa Aesar	H26504

Database	Data ID
PubChem	69449

M. W.

177.63022

CAS

634-47-9

Similarity

N/A

ID: 110494

2-(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)-1,2-dihydroquinoline-4-carboxyli...

$$$$ Data

M. F.

C17H11NO5

Suppliers	Catalog Number
MP Biomedicals	05215252

Database	Data ID
PubChem	5356511

M. W.

309.27294

CAS

525-48-4

Similarity

N/A

ID: 110495

1-fluoro-4-(2-{[2-(4-fluorophenyl)ethyl]sulfanyl}ethyl)benzene

$$$$ Data

M. F.

C16H16F2S

Suppliers	Catalog Number
MP Biomedicals	05215257

Database	Data ID
PubChem	25021687

M. W.

278.3600464

CAS

Similarity

N/A

ID: 110496

(naphthalen-2-yl)(phenyl)methanone

$$$$ Data

M. F.

C17H12O

Suppliers	Catalog Number
Sigma Aldrich	298921
MP Biomedicals	05215258
Alfa Aesar	A18121

Database	Data ID
PubChem	69516

M. W.

232.27658

CAS

644-13-3

Similarity

N/A

ID: 110497

butyl(ethyl)amine

$$$$ Data More

M. F.

C6H15N

Suppliers	Catalog Number
Sigma Aldrich	133000 03205
MP Biomedicals	05215267
Alfa Aesar	B22881

Database	Data ID
PubChem	25914

M. W.

101.19

CAS

13360-63-9

Similarity

N/A

ID: 110498

2-aminoethan-1-ol; 2-sulfanylacetic acid

$$$$ Data

M. F.

C4H11NO3S

Suppliers	Catalog Number
MP Biomedicals	05215269

Database	Data ID
PubChem	160430

M. W.

153.20004

CAS

126-97-6

Similarity

N/A

ID: 110499

4-phenylbutan-2-one

$$$$ Data More

M. F.

C10H12O

Suppliers	Catalog Number
Sigma Aldrich	B16003 13150
MP Biomedicals	05215280
Alfa Aesar	B22777

Database	Data ID
Wikipedia	Benzylacetone
PubChem	17355

M. W.

148.20168

CAS

2550-26-7

Similarity

N/A

ID: 110500

1,4-bis(benzenesulfonyl)piperazine

$$$$ Data

M. F.

C16H18N2O4S2

Suppliers	Catalog Number
MP Biomedicals	05215281

Database	Data ID
PubChem	227663

M. W.

366.45512

CAS

7250-99-9

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