Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C2H3NaO2

Suppliers	Catalog Number
Sigma Aldrich	299111 282014 663859 (more...)

Database	Data ID
PubChem	23681132

M. W.

84.01909968

CAS

123333-80-2

Similarity

N/A

ID: 135402

5-methyl-6-oxa-4-azatricyclo[8.4.0.0³,⁷]tetradeca-1(14),3(...

$$$$ Data

M. F.

C13H13NO2

Suppliers	Catalog Number
Sigma Aldrich	214329

Database	Data ID
PubChem	612016

M. W.

215.24782

CAS

28237-14-1

Similarity

N/A

ID: 135403

butane-2-thiol

$$$$ Data

M. F.

C4H10S

Suppliers	Catalog Number
Sigma Aldrich	102911 W509434

Database	Data ID
PubChem	10560

M. W.

90.1872

CAS

513-53-1

Similarity

N/A

ID: 135404

(3aR,4R,7aR)-4-({[tris(propan-2-yl)silyl]oxy}methyl)-2H,3aH,4H,7aH-[1,3]dioxolo[...

$$$$ Data

M. F.

C16H28O5Si

Suppliers	Catalog Number
Sigma Aldrich	464112

Database	Data ID
PubChem	11045708

M. W.

328.47602

CAS

149625-80-9

Similarity

N/A

ID: 135405

{1,3-bis[(²H)hydroxy]-2-{[(²H)hydroxy]methyl}propan-2-yl}(...

$$$$ Data

M. F.

C4H11NO3

Suppliers	Catalog Number
Sigma Aldrich	329940

Database	Data ID
PubChem	16212086

M. W.

121.13504

CAS

207802-44-6

Similarity

N/A

ID: 135406

methane(²H)sulfonic acid

$$$$ Data

M. F.

CH4O3S

Suppliers	Catalog Number
Sigma Aldrich	675199

Database	Data ID
PubChem	71309269

M. W.

96.10566

CAS

66178-40-3

Similarity

N/A

ID: 135407

(2S)-2-amino-4-[(²H₃)methylsulfanyl]butanoic acid

$$$$ Data

M. F.

C5H11NO2S

Suppliers	Catalog Number
Sigma Aldrich	661562 300616
TRC	M260442

Database	Data ID
PubChem	15556503

M. W.

149.21134

CAS

13010-53-2

Similarity

N/A

ID: 135408

1,3,5-triazine-2,4,6-tri(²H₂)amine

$$$$ Data

M. F.

C3H6N6

Suppliers	Catalog Number
Sigma Aldrich	570087

Database	Data ID
PubChem	45039688

M. W.

126.11994

CAS

13550-89-5

Similarity

N/A

ID: 135409

4,4-dimethyl-2-[2-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-oxazole

$$$$ Data

M. F.

C18H19NO

Suppliers	Catalog Number
Sigma Aldrich	459585

Database	Data ID
PubChem	688301

M. W.

265.34956

CAS

84392-32-5

Similarity

N/A

ID: 135410

hexasodium tris(dioxotungstenbis(olate)) nonakis(trioxotungsten)

$$$$ Data

M. F.

Na6O39W12

Suppliers	Catalog Number
Sigma Aldrich	377368 71914 80656

Database	Data ID
PubChem	3084108

M. W.

2967.99522

CAS

12141-67-2

Similarity

N/A

ID: 135411

tris(2-chloroethyl)amine hydrochloride

$$$$ Data

M. F.

C6H13Cl4N

Suppliers	Catalog Number
Sigma Aldrich	T85308

Database	Data ID
PubChem	61220

M. W.

240.98612

CAS

817-09-4

Similarity

N/A

ID: 135412

1-(²H₃)ethenyl(²H₅)benzene

$$$$ Data

M. F.

C8H8

Suppliers	Catalog Number
Sigma Aldrich	338222 176699
Alfa Aesar	43667
TRC	S687793

Database	Data ID
PubChem	88025

M. W.

104.14912

CAS

19361-62-7

Similarity

N/A

ID: 135413

(4S)-4-benzyl-3-(but-2-enoyl)-1,3-oxazolidin-2-one

$$$$ Data

M. F.

C14H15NO3

Suppliers	Catalog Number
Sigma Aldrich	L5670 535176

Database	Data ID
PubChem	5702600

M. W.

245.2738

CAS

133812-16-5

Similarity

N/A

ID: 135414

2,2,9,9-tetramethyl-3,8-diaza-2,9-disiladecane

$$$$ Data

M. F.

C10H28N2Si2

Suppliers	Catalog Number
Sigma Aldrich	308587

Database	Data ID
PubChem	13483149

M. W.

232.51372

CAS

13435-07-9

Similarity

N/A

ID: 135415

cyclohex-1-en-1-yl acetate

$$$$ Data

M. F.

C8H12O2

Suppliers	Catalog Number
Sigma Aldrich	454761
Alfa Aesar	L04970
Enamine	EN300-42527

Database	Data ID
PubChem	74019

M. W.

140.17968

CAS

1424-22-2

Similarity

N/A

ID: 135416

1-phenyloctadecan-1-one

$$$$ Data

M. F.

C24H40O

Suppliers	Catalog Number
Sigma Aldrich	318418 298646
Alfa Aesar	H53394

Database	Data ID
PubChem	81244

M. W.

344.5738

CAS

6786-36-3

Similarity

N/A

ID: 135417

1,3-dichloro-2,2-bis(chloromethyl)propane

$$$$ Data

M. F.

C5H8Cl4

Suppliers	Catalog Number
Sigma Aldrich	P4909
Alfa Aesar	A16514
Bide Pharmatech	BD2810

Database	Data ID
PubChem	76700

M. W.

209.92902

CAS

3228-99-7

Similarity

N/A

ID: 135418

(1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl](5,6-^...

$$$$ Data

M. F.

C27H46O

Suppliers	Catalog Number
Sigma Aldrich	662291

Database	Data ID
PubChem	12303139

M. W.

388.63884968

CAS

78887-48-6

Similarity

N/A

ID: 135419

(2S)-2-amino-3-[1-(²H₃)methyl-1H-imidazol-4-yl]propanoic a...

$$$$ Data

M. F.

C7H11N3O2

Suppliers	Catalog Number
Sigma Aldrich	662135

Database	Data ID
PubChem	71309270

M. W.

169.18114

CAS

Similarity

N/A

ID: 135420

[(4S,5S)-5-(hydroxydiphenylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]diphenylmethan...

$$$$ Data

M. F.

C36H35ClO4Ti

Suppliers	Catalog Number
Sigma Aldrich	449539

Database	Data ID
PubChem	71309271

M. W.

614.9807

CAS

140462-73-3

Similarity

N/A

ID: 135421

disodium 2-[(3,5-diiodo-4-oxidophenyl)(3,5-diiodo-4-oxocyclohexa-2,5-dien-1-ylid...

$$$$ Data

M. F.

C20H8I4Na2O4

Suppliers	Catalog Number
Sigma Aldrich	224979

Database	Data ID
PubChem	75194

M. W.

865.87254

CAS

632-73-5

Similarity

N/A

ID: 135422

2,4,6-trimethoxybenzonitrile

$$$$ Data

M. F.

C10H11NO3

Suppliers	Catalog Number
Sigma Aldrich	155594
Alfa Aesar	B23540

Database	Data ID
PubChem	75731

M. W.

193.19924

CAS

2571-54-2

Similarity

N/A

ID: 135423

(2Z)-pent-2-en-1-ol

$$$$ Data

M. F.

C5H10O

Suppliers	Catalog Number
Sigma Aldrich	W430500 W515906 304182
Alfa Aesar	A14262

Database	Data ID
PubChem	5364919

M. W.

86.1323

CAS

1576-95-0

Similarity

N/A

ID: 135424

1,4-ditrimethylsilyl but-2-ynedioate

$$$$ Data

M. F.

C10H18O4Si2

Suppliers	Catalog Number
Sigma Aldrich	254541 01095

Database	Data ID
PubChem	590273

M. W.

258.41852

CAS

76734-92-4

Similarity

N/A

ID: 135425

(1,1-dimethoxypropan-2-yl)benzene

$$$$ Data

M. F.

C11H16O2

Suppliers	Catalog Number
Sigma Aldrich	325147 W288802

Database	Data ID
PubChem	62336

M. W.

180.24354

CAS

90-87-9

Similarity

N/A

ID: 135426

λ²-iron(2+) ion 3-carboxycyclopenta-2,4-dien-1-ide cyclopenta-2,4-di...

$$$$ Data

M. F.

C11H10FeO2

Suppliers	Catalog Number
Sigma Aldrich	106887 46264

Database	Data ID
PubChem	6477916

M. W.

230.0409

CAS

1271-42-7

Similarity

N/A

ID: 135427

2,2-dimethyl-3-[(2-methylprop-2-enoyl)oxy]propyl 2-methylprop-2-enoate

$$$$ Data

M. F.

C13H20O4

Suppliers	Catalog Number
Sigma Aldrich	408247

Database	Data ID
PubChem	16135

M. W.

240.2955

CAS

1985-51-9

Similarity

N/A

ID: 135428

4-methyl-N'-[(1S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ylidene]benzene-1-sul...

$$$$ Data

M. F.

C17H24N2O2S

Suppliers	Catalog Number
Sigma Aldrich	344222

Database	Data ID
PubChem	5391774

M. W.

320.44966

CAS

123408-99-1

Similarity

N/A

ID: 135429

(morpholin-4-yl)(2,2,2-tribromoethoxy)phosphinoyl chloride

$$$$ Data

M. F.

C6H10Br3ClNO3P

Suppliers	Catalog Number
Sigma Aldrich	195693

Database	Data ID
PubChem	3034447

M. W.

450.287261

CAS

57575-15-2

Similarity

N/A

ID: 135430

2-methoxynaphthalene-1-carbonitrile

$$$$ Data

M. F.

C12H9NO

Suppliers	Catalog Number
Sigma Aldrich	152773

Database	Data ID
PubChem	85232

M. W.

183.20596

CAS

16000-39-8

Similarity

N/A

ID: 135431

(2R,3R,4R)-4-(acetyloxy)-2-{[(tert-butyldiphenylsilyl)oxy]methyl}-3,4-dihydro-2H...

$$$$ Data

M. F.

C26H32O6Si

Suppliers	Catalog Number
Sigma Aldrich	498130

Database	Data ID
PubChem	16213683

M. W.

468.61418

CAS

312692-93-6

Similarity

N/A

ID: 135432

(4-methoxyphenyl)methyl [(4,6-dimethylpyrimidin-2-yl)sulfanyl]formate

$$$$ Data

M. F.

C15H16N2O3S

Suppliers	Catalog Number
Sigma Aldrich	M5387 859567
Bide Pharmatech	BD148407

Database	Data ID
PubChem	100623

M. W.

304.36414

CAS

41840-29-3

Similarity

N/A

ID: 135433

[(4-cyanophenyl)methyl]triphenylphosphanium chloride

$$$$ Data

M. F.

C26H21ClNP

Suppliers	Catalog Number
Sigma Aldrich	274887
Alfa Aesar	L12187

Database	Data ID
PubChem	2724468

M. W.

413.878401

CAS

20430-33-5

Similarity

N/A

ID: 135434

3-butyl-1-nitro-3-nitrosoguanidine

$$$$ Data

M. F.

C5H11N5O3

Suppliers	Catalog Number
Sigma Aldrich	142239

Database	Data ID
PubChem	9570281

M. W.

189.17254

CAS

13010-08-7

Similarity

N/A

ID: 135435

(²H₃)prop-2-enamide

$$$$ Data

M. F.

C3H5NO

Suppliers	Catalog Number
Sigma Aldrich	636568
TRC	A191302

Database	Data ID
PubChem	12209671

M. W.

71.0779

CAS

122775-19-3

Similarity

N/A

ID: 135436

1-phenyl(²H₄)ethan-1-ol

$$$$ Data

M. F.

C8H10O

Suppliers	Catalog Number
Sigma Aldrich	589446

Database	Data ID
PubChem	15618820

M. W.

122.1644

CAS

90162-44-0

Similarity

N/A

ID: 135437

(10-¹³C)decanoic acid

$$$$ Data

M. F.

C10H20O2

Suppliers	Catalog Number
Sigma Aldrich	579661

Database	Data ID
PubChem	71309272

M. W.

173.25725484

CAS

287111-32-4

Similarity

N/A

ID: 135438

2-acetamido(3,3,3-²H₃)propanoic acid

$$$$ Data

M. F.

C5H9NO3

Suppliers	Catalog Number
Sigma Aldrich	616028

Database	Data ID
PubChem	71309273

M. W.

131.12986

CAS

Similarity

N/A

ID: 135439

1,3-bis[(3R,5S,7s)-adamantan-1-yl]-4,5-dihydro-3H-1λ⁵,3-imidazol-1-y...

$$$$ Data

M. F.

C23H35BF4N2

Suppliers	Catalog Number
Sigma Aldrich	660027

Database	Data ID
PubChem	16218103

M. W.

426.3420128

CAS

Similarity

N/A

ID: 135440

(²H₄)-1,3-dioxolan-2-one

$$$$ Data

M. F.

C3H4O3

Suppliers	Catalog Number
Sigma Aldrich	573019

Database	Data ID
PubChem	45039094

M. W.

88.06206

CAS

362049-63-6

Similarity

N/A

ID: 135441

4-{1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptan-2-yl}but-3-en-2-one

$$$$ Data

M. F.

C13H20O2

Suppliers	Catalog Number
Sigma Aldrich	572462
Alfa Aesar	H53499

Database	Data ID
PubChem	57031612

M. W.

208.2967

CAS

190059-33-7

Similarity

N/A

ID: 135442

triamine bis[(carboxycarbonyl)oxy]chromio hydrogen oxalate hydrate

$$$$ Data

M. F.

C6H14CrN3O13

Suppliers	Catalog Number
Sigma Aldrich	573841

Database	Data ID
PubChem	71309274

M. W.

388.18376

CAS

Similarity

N/A

ID: 135443

1-[(4-ethoxy-4-oxobut-2-enoyl)oxy]calcio 4-ethyl but-2-enedioate

$$$$ Data

M. F.

C12H14CaO8

Suppliers	Catalog Number
Sigma Aldrich	453625

Database	Data ID
PubChem	71309275

M. W.

326.31276

CAS

62008-22-4

Similarity

N/A

ID: 135444

4-chlorobenzene-1,3-dithiol

$$$$ Data

M. F.

C6H5ClS2

Suppliers	Catalog Number
Sigma Aldrich	144282

Database	Data ID
PubChem	94119

M. W.

176.6869

CAS

58593-78-5

Similarity

N/A

ID: 135445

2,3,5-trifluorophenol

$$$$ Data

M. F.

C6H3F3O

Suppliers	Catalog Number
Sigma Aldrich	348392

Database	Data ID
PubChem	2733311

M. W.

148.0826296

CAS

2268-15-7

Similarity

N/A

ID: 135446

(1-¹³C)octadec-9-enoic acid

$$$$ Data

M. F.

C18H34O2

Suppliers	Catalog Number
Sigma Aldrich	661589 668397 490423

Database	Data ID
PubChem	71309093

M. W.

283.45401484

CAS

82005-44-5

Similarity

N/A

ID: 135447

(3R,4R,5S,6R)-6-(hydroxymethyl)(5-¹³C)oxane-2,3,4,5-tetrol

$$$$ Data

M. F.

C6H12O6

Suppliers	Catalog Number
Sigma Aldrich	668648

Database	Data ID
PubChem	11480819

M. W.

181.14853484

CAS

Similarity

N/A

ID: 135448

(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-[(triphenylmethyl)(¹

$$$$ Data

M. F.

C38H32N2O5

Suppliers	Catalog Number
Sigma Aldrich	668745

Database	Data ID
PubChem	71309276

M. W.

598.6578978

CAS

Similarity

N/A

ID: 135449

3-chloro-1,1-diethoxypropane

$$$$ Data More

M. F.

C7H15ClO2

Suppliers	Catalog Number
Sigma Aldrich	26130 C69004
Alfa Aesar	L05159
TRC	C379795

Database	Data ID
PubChem	96217

M. W.

166.6458

CAS

35573-93-4

Similarity

N/A

ID: 135450

(3R,4R,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

$$$$ Data

M. F.

C6H12O6

Suppliers	Catalog Number
Sigma Aldrich	M1134 856649 63578
Alfa Aesar	A17722

Database	Data ID
PubChem	6321330

M. W.

180.15588

CAS

10030-80-5

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