Wikidata:Database reports/Constraint violations/P233
Constraint violations report for canonical SMILES (Discussion, uses, items, changes, related properties): Simplified Molecular Input Line Entry Specification (canonical format)
Data time stamp: (UTC) — Items processed: 1,334,648
The report is generated based on the settings on Property:P233#P2302.
Updates overwrite this page. Some may already be fixed since the last update: check RecentChangesLinked.
When incremental dumps and the bot work as planned, items fixed before 07:00 UTC disappear in the next update. The report is not updated if only the item count changes.
The report can include false positives. There is no need to "fix" them.
Data time stamp: (UTC) — Items processed: 1,334,648
The report is generated based on the settings on Property:P233#P2302.
Updates overwrite this page. Some may already be fixed since the last update: check RecentChangesLinked.
When incremental dumps and the bot work as planned, items fixed before 07:00 UTC disappear in the next update. The report is not updated if only the item count changes.
The report can include false positives. There is no need to "fix" them.
"Type type of chemical entity (Q113145171), chemical element (Q11344), isotope (Q25276), functional group (Q170409), structural class of chemical entities (Q47154513), group of isomeric entities (Q15711994)" violations edit
Violations count: 141
- acrylonitrile butadiene styrene (Q143496): type of polymer (Q119896085)
- Cyclic olefin copolymer (Q143914): type of polymer (Q119896085)
- ethylene-vinyl acetate (Q144917): type of polymer (Q119896085)
- aqua regia (Q174670): mixture (Q169336)
- linear maltodextrin (Q177570): type of polymer (Q119896085)
- amylose (Q207466): type of polymer (Q119896085)
- Agent Orange (Q215946): defoliant (Q53744), mixture (Q169336)
- ultramarine (Q219660):
- acriflavine (Q225854): type of mixture of chemical entities (Q119892838)
- nystatin (Q251005): medication (Q12140), essential medicine (Q35456), extract (Q1259977), mixture (Q169336)
- amylopectin (Q271643): type of polymer (Q119896085)
- arginine glutamate (Q288119): type of mixture of chemical entities (Q119892838)
- manganite (Q401047): mineral species (Q12089225)
- butylated hydroxyanisole (Q409401): mixture (Q169336)
- rac-salbutamol (Q410358): essential medicine (Q35456), racemate (Q467717)
- isomalt (Q412068): equimolar mixture (Q21177113)
- invert sugar (Q412082): mixture (Q169336), Zuckerart (Q227790)
- ivermectin (Q415178): mixture (Q169336), medication (Q12140), essential medicine (Q35456)
- 4,4'-methylenediphenyldiisocyanate (Q417646): chemical compound (Q11173), flammable solid (Q21073024)
- colistin (Q418946): type of mixture of chemical entities (Q119892838)
- gramicidin D (Q418980):
- nabilone (Q419079): racemate (Q467717), medication (Q12140)
- C-peptide (Q419107): peptide (Q172847), protein fragment (Q78782478)
- struvite (Q419364): mineral species (Q12089225)
- magic acid (Q420196): mixture (Q169336)
- dimenhydrinate (Q420439): type of mixture of chemical entities (Q119892838)
- gentamicin (Q422482): mixture (Q169336), medication (Q12140), essential medicine (Q35456), extract (Q1259977)
- Laminarin (Q423729): polysaccharide (Q134219)
- melittin (Q424512): peptide (Q172847), protein fragment (Q78782478)
- shellac (Q429659): painting material (Q3300034), coating (Q1570182), insect dye (Q66821499)
- red phosphorus (Q457556): simple substance (Q2512777), covalent network solid (Q632350)
- fluticasone/salmeterol (Q581334): type of mixture of chemical entities (Q119892838)
- hydrocodone/paracetamol (Q595306): type of mixture of chemical entities (Q119892838)
- ibritumomab (Q635415): medication (Q12140), biopharmaceutical (Q679692), monoclonal antibody (Q422248)
- atovaquone/proguanil (Q757702): type of mixture of chemical entities (Q119892838)
- budesonide/formoterol (Q863389): chemical substance (Q79529), medication (Q12140), mixture (Q169336), essential medicine (Q35456)
- atomic carbon (Q866179): simple substance (Q2512777)
- sulfamethoxazole/trimethoprim (Q898623): type of mixture of chemical entities (Q119892838)
- colesevelam (Q899036): type of polymer (Q119896085)
- quinupristin/dalfopristin (Q1763990): mixture (Q169336), medication (Q12140)
- nicarbazin (Q2020694): type of mixture of chemical entities (Q119892838)
- PAX8 (Q2046497): gene (Q7187)
- tenofovir/emtricitabine (Q2412859): type of mixture of chemical entities (Q119892838)
- methyl demeton (Q2543569): type of mixture of chemical entities (Q119892838)
- carbamide peroxide (Q2633879): complex (Q107434516), cocrystal (Q5139913)
- amoxicillin/clavulanic acid (Q2870929): type of mixture of chemical entities (Q119892838)
- caffeine citrate (Q2974480): mixture (Q169336), essential medicine (Q35456), cocrystal (Q5139913)
- dihydrogen (Q3027893): simple substance (Q2512777)
- hectorite (Q3129310): mineral species (Q12089225)
- inosine pranobex (Q3130053): mixture (Q169336), combination drug (Q1779868)
- phentermine/topiramate (Q3378713): medication (Q12140), chemical substance (Q79529), mixture (Q169336)
- penicillin G procaine (Q3435660): type of mixture of chemical entities (Q119892838)
- spinosad (Q3493529): type of mixture of chemical entities (Q119892838)
- lopinavir/ritonavir (Q3836750): type of mixture of chemical entities (Q119892838)
- N-Carbamoyl-DL-aspartic acid, compound with 5-amino-1H-imidazole-4-carboxamide (Q4006347):
- lidocaine/prilocaine (Q4019783): type of mixture of chemical entities (Q119892838)
- Co-codamol (Q4357608):
- Perftoran (Q4359344): type of mixture of chemical entities (Q119892838)
- abacavir/lamivudine (Q4663143): medication (Q12140), mixture (Q169336), essential medicine (Q35456)
- acrisorcin (Q4675133): type of mixture of chemical entities (Q119892838)
- alfaxolone/alfadolone (Q4721889): type of mixture of chemical entities (Q119892838)
- ambuphylline (Q4741993): mixture (Q169336), combination drug (Q1779868)
- amlodipine/benazepril (Q4747074): drug (Q8386), medication (Q12140), chemical substance (Q79529), mixture (Q169336)
- amlodipine/valsartan (Q4747075): medication (Q12140), chemical substance (Q79529), mixture (Q169336)
- ampicillin/sulbactam (Q4748447): type of mixture of chemical entities (Q119892838)
- penimepicycline (Q4924638): type of mixture of chemical entities (Q119892838)
- brimonidine/timolol (Q4968132): type of mixture of chemical entities (Q119892838)
- levodopa/carbidopa (Q5037862): medication (Q12140), mixture (Q169336), essential medicine (Q35456), combination drug (Q1779868)
- clofezone (Q5134879): type of mixture of chemical entities (Q119892838)
- Co-amilozide (Q5137424): type of mixture of chemical entities (Q119892838)
- Co-codaprin (Q5137434): type of mixture of chemical entities (Q119892838)
- Desbutal (Q5263670): type of mixture of chemical entities (Q119892838)
- Ditran (Q5283699): mixture (Q169336)
- dorzolamide/timolol (Q5299119): combination drug (Q1779868), medication (Q12140), chemical substance (Q79529), mixture (Q169336)
- efonidipine (Q5347555): racemate (Q467717), medication (Q12140), 2-[benzyl(phenyl)amino]ethyl 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate (Q106574688)
- imipenem/cilastatin (Q6004128): type of mixture of chemical entities (Q119892838)
- Sacubitril/valsartan (Q6457467): medication (Q12140), chemical substance (Q79529), mixture (Q169336)
- lamivudine/zidovudine (Q6482030): chemical substance (Q79529), medication (Q12140), mixture (Q169336), essential medicine (Q35456)
- latanoprost/timolol (Q6495092): type of mixture of chemical entities (Q119892838)
- mestranol/norethynodrel (Q6822155): type of mixture of chemical entities (Q119892838)
- (EZ)-metaflumizone (Q6822502): mixture (Q169336), insecticide (Q181322)
- methyllysine (Q6824025): group of chemical entities (Q55640599)
- pamabrom (Q7129023): mixture (Q169336), combination drug (Q1779868)
- piperacillin/tazobactam (Q7197337): type of mixture of chemical entities (Q119892838)
- pyridoxine/doxylamine (Q7263592): mixture (Q169336), medication (Q12140)
- sodium ferric gluconate complex (Q7553318): medication (Q12140), macromolecule (Q178593)
- carbidopa / levodopa / entacapone (Q7597226): medication (Q12140), chemical substance (Q79529), mixture (Q169336), combination drug (Q1779868)
- telmisartan/hydrochlorothiazide (Q7697766): medication (Q12140), chemical substance (Q79529), mixture (Q169336)
- polymyxin B sulfate/trimethoprim (Q7842200): type of mixture of chemical entities (Q119892838)
- penicillin G procaine hydrate (Q13026783): type of mixture of chemical entities (Q119892838)
- MOPP (Q13860556): mixture (Q169336)
- Tegafur/gimeracil/oteracil (Q15410179): combination drug (Q1779868)
- bazedoxifene/conjugated estrogens (Q16274732): type of mixture of chemical entities (Q119892838)
- ezetimibe/atorvastatin (Q16992915): type of mixture of chemical entities (Q119892838)
- abacavir/dolutegravir/lamivudine (Q18208897): medication (Q12140), chemical substance (Q79529), mixture (Q169336)
- hydrogen molecule (Q19822725):
- 1,2,3-benzenetricarboxylic acid hydrate (Q20180597): group of chemical entities (Q55640599)
- indacaterol/glycopyrrolate (Q20707624): mixture (Q169336), medication (Q12140)
- ceftazidime/avibactam (Q20973563): medication (Q12140), chemical substance (Q79529), mixture (Q169336)
- methylchloroisothiazolinone/methylisothiazolinone (Q26841195): mixture (Q169336)
- diastatine (Q27113553): hypothetical scientific object (Q30126005), simple substance (Q2512777)
- 4-hydroxybenzoyl-AMP (Q27159158):
- mercurius solubilis (Q27256140): homeopathic medicine (Q1626450)
- prednazoline (Q27258839): type of mixture of chemical entities (Q119892838)
- acefylline/ephedrine (Q27264355): mixture (Q169336)
- prednazate (Q27265911): type of mixture of chemical entities (Q119892838)
- piroxicam cinnamate (Q27268143):
- niclosamide piperazine (Q27269192): type of mixture of chemical entities (Q119892838)
- nisterime (Q27273848): racemate (Q467717), steroid hormone (Q422137)
- ritodrine hydrochloride (Q27277341): racemate (Q467717)
- theophylline/ephedrine (Q27283071): mixture (Q169336)
- protactinocene (Q27962391): actinocene (Q20829265)
- (±)-cis-7,8-epoxy-2-methyloctadecane (Q30023446): racemate (Q467717)
- (1,4-alpha-D-glucosyl) glucogenin (Q37855937): group of chemical entities (Q55640599)
- peptidoglycan-major wall teichoic acid complex (Q46330851):
- Pen-Strep (Q55629412): mixture (Q169336), antibiotic (Q12187)
- tralomethrin (Q61446657): mixture (Q169336), insecticide (Q181322)
- 2-Oxocarboxylic acid (Q61591751): group of chemical entities (Q55640599)
- 4-hydroxynonenol (Q75005467): group of chemical entities (Q55640599)
- caprylic/capric mono/diglycerides (Q90625259): type of mixture of chemical entities (Q119892838)
- asparagine residue (Q96982677): group or class of chemical entities (Q72070508)
- (+/-)-grandisol (Q98000191): racemate (Q467717)
- bifluranol (Q100783323): racemate (Q467717)
- santalyl phenylacetate (Q104093778): mixture (Q169336)
- A-type dehydrodicatechin (Q108874731): mixture (Q169336)
- protein N6-(octanoyl)lysine (Q111817845): group of chemical entities (Q55640599)
- sodium (Q114850397): simple substance (Q2512777)
- polyoxetane (Q116214097): type of polymer (Q119896085)
- LK-99 (Q120919994): chemical substance (Q79529), inorganic matter (Q20098970), solid (Q11438), room-temperature superconductor (Q7366241), synthetic material (Q3300022)
- Carbodiphosphorane (Q121142156):
- Histidine, sodium salt (Q122791629):
- Bis(η8-1,3,5,7-cyclooctatetraene)americium (Q122834534): hypothetical chemical compound (Q50308749)
- tetracyclohexylmethane (Q123453088): chemical compound (Q11173)
- Q123784910: chemical compound (Q11173)
- 6-Octadecanone (Q124289619): chemical compound (Q11173)
- Propyl 4-morpholinecarbodithioate (Q124359793): chemical compound (Q11173)
- 2-Hydroxy-3,5,7-trinitro-2,4,6-cycloheptatrien-1-one (Q124364222): chemical compound (Q11173)
- Lanthanum glycinate (Q124364426): chemical compound (Q11173)
- 4-[3,6-Bis(1,1-dimethylethyl)-9H-carbazol-9-yl]benzoic acid (Q124400150): chemical compound (Q11173)
- ETC-1922159 (Q124448578): chemical compound (Q11173)
- 1H-Imidazole-3-oxide (Q124692695): chemical compound (Q11173)
Types statistics edit
"Format" violations edit
Violations count: 1
- Eupione (Q5410758): somevalue
"Allowed qualifiers" violations edit
Violations count: 5
- dinitrogen pentoxide (Q408458): applies to part (P518)
- Feruloylmalic acid (Q124844328): PubChem CID (P662)
- Feruloylmalic acid (Q124844328): language of work or name (P407)
- Feruloylmalic acid (Q124844328): title (P1476)
- Feruloylmalic acid (Q124844328): retrieved (P813)
Properties statistics edit
Accepted | Property | Usage |
---|---|---|
Yes | reason for deprecated rank (P2241) | 114 |
Yes | reason for preferred rank (P7452) | 4 |
No | title (P1476) | 1 |
No | language of work or name (P407) | 1 |
No | applies to part (P518) | 1 |
No | PubChem CID (P662) | 1 |
No | retrieved (P813) | 1 |
Yes | intended subject of deprecated statement (P8327) | 1 |
"Entity types" violations edit
Violations count: 0
"Scope" violations edit
Violations count: 0
"Single value" violations edit
Violations count: 203
- potassium hydride (Q6036): [H-].[K+], [K].[H]
- hydrogen cyanide (Q26075): C#N, [H+].[C-]#N
- fucoxanthin (Q96385): CC(=CC=CC=C(C)C=CC=C(C)C(=O)CC12C(CC(CC1(O2)C)O)(C)C)C=CC=C(C)C=C=C3C(CC(CC3(C)O)OC(=O)C)(C)C, O=C(OC1CC(O)(C(=C=CC(=CC=CC(=CC=CC=C(C=CC=C(C(=O)CC23OC3(C)CC(O)CC2(C)C)C)C)C)C)C(C)(C)C1)C)C
- alpha particle (Q103517): [4He++], [He+2]
- ammonium sulfate (Q191831): N.N.OS(=O)(=O)O, [NH4+].[NH4+].[O-]S(=O)(=O)[O-]
- stannic sulfide (Q205021): S=[Sn]=S, [S-2].[S-2].[Sn+4]
- hexan-2-one (Q209404): O=C(C)CCCC, CCCCC(=O)C
- cyanocobalamin (Q252251): CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)C(=C7C(C(C(=N7)C=C8C(C(C(=N8)C(=C4[N-]5)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3], CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)C(C7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3]
- caesium auride (Q368965): [Cs].[Au], [Cs+].[Au-]
- copper(I) oxide (Q407709): [O-2].[Cu+].[Cu+], O=[Cu].[Cu]
- iron(II) sulfide (Q407993): [S-2].[Fe+2], S=[Fe]
- potassium sulfide (Q408920): [S-2].[K+].[K+], [SH-].[K+].[K+], S([K])[K]
- antimony trioxide (Q409035): O=[Sb]O[Sb]=O, [O-2].[O-2].[O-2].[Sb+3].[Sb+3]
- N-butyllithium (Q410875): CCCC[Li], [Li+].CCC[CH2-]
- digitonin (Q410968): CC1CCC2(C(C3C(O2)C(C4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O)C)C)O)C)OC1, OCC1OC(OC2C(O)C(OC(CO)C2O)OC3C(OC(CO)C(O)C3OC4OCC(O)C(O)C4O)OC5C(O)C(O)C(OC6CC7CCC8C(CCC9(C)C8C(O)C%10OC%11(OCC(C)CC%11)C(C)C%109)C7(C)CC6O)OC5CO)C(O)C(O)C1O
- potassium superoxide (Q411162): [O-]=O.[K+], O=O.[K+]
- cobalt(II) sulfate (Q411214): [O-]S(=O)(=O)[O-].[Co+2], O=S1(=O)O[Co]O1
- hydrazine sulfate (Q413847): NN.OS(=O)(=O)O, [NH3+]N.OS(=O)(=O)[O-]
- Sodium superoxide (Q414212): O=O.[Na+], [Na+].[O-][O]
- Tebbe's reagent (Q416243): [CH3-].C[Al+]C.[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Cl-].[Ti+3], C[Al](C)[CH2-].[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Cl-].[Ti+4]
- cerium(IV) sulfate (Q416641): [Ce].[O-]S(=O)(=O)[O-].[O-]S([O-])(=O)=O, [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Ce+4]
- strontium bromide (Q416904): [Sr+2].[Br-].[Br-], [Br-].[Br-].[Sr+2]
- chromyl chloride (Q417044): Cl[Cr](Cl)(=O)=O, [O-2].[O-2].[Cl-].[Cl-].[Cr+6]
- antimony pentachloride (Q417103): Cl[Sb](Cl)(Cl)(Cl)Cl, [Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Sb+5]
- lanthanum(III) oxide (Q417250): O=[La]O[La]=O, [O-2].[O-2].[O-2].[La+3].[La+3]
- beryllium hydride (Q417304): [BeH2], [H-].[H-].[Be+2]
- Cornforth reagent (Q418276): C1=CC=[NH+]C=C1.C1=CC=[NH+]C=C1.[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-], C1=CC=NC=C1.C1=CC=NC=C1.O[Cr](=O)(=O)O[Cr](=O)(=O)O
- tris(8-hydroxyquinolinato)aluminium (Q418564): c7ccc8cccc9O[AlH3-6]36(Oc2cccc1ccc[n+]3c12)(Oc5cccc4ccc[n+]6c45)[n+]7c89, c1cc2cccnc2c(c1)[O-].c1cc2cccnc2c(c1)[O-].c1cc2cccnc2c(c1)[O-].[Al+3]
- 3,4-dihydroxybenzoic acid (Q418599): C1=CC(=C(C=C1C(=O)O)O)O, c1cc(c(cc1C(=O)O)O)O
- (EZ)-prontosil (Q418758): C1=CC(=CC=C1N=NC2=C(C=C(C=C2)N)N)S(=O)(=O)N, O=S(=O)(N)C1=CC=C(N=NC2=CC=C(N)C=C2N)C=C1
- merbromin (Q419070): [Na+].[Na+].[O-]C(=O)c4ccccc4C=1c3cc(Br)c([O-])c([Hg]O)c3O/C/2=C/C(=O)C(/Br)=C\C=1\2, c1ccc(c(c1)c2c3cc(c(c(c3oc-4cc(=O)c(cc24)Br)[Hg+])[O-])Br)C(=O)[O-].[OH-].[Na+].[Na+]
- tetraacetylethylenediamine (Q419209): O=C(C)C(N)(C(C)=O)C(N)(C(C)=O)C(C)=O, CC(=O)N(CCN(C(=O)C)C(=O)C)C(=O)C
- uranium tetrafluoride (Q419846): [U+2].[U+2].[F-].[F-].[F-].[F-], [F-].[F-].[F-].[F-].[U+4]
- dysprosium(III) oxide (Q420191): O=[Dy]O[Dy]=O, [O-2].[O-2].[O-2].[Dy+3].[Dy+3]
- iridium(VI) fluoride (Q420934): F[Ir](F)(F)(F)(F)F, [F-].[F-].[F-].[F-].[F-].[F-].[Ir+6]
- meconic acid (Q421116): C1=C(OC(=C(C1=O)O)C(=O)O)C(=O)O, c1c(=O)c(c(oc1C(=O)O)C(=O)O)O
- vanadium(IV) chloride (Q421255): Cl[V](Cl)(Cl)Cl, [Cl-].[Cl-].[Cl-].[Cl-].[V+4]
- bornane (Q421333): CC1(C2CCC1(CC2)C)C, CC1(C)C2(CCC1(C)CC2)[H]
- tungsten(IV) oxide (Q421387): O=[W]=O, [O-2].[O-2].[W+4]
- germanium tetrachloride (Q421389): [Ge+4].[Cl-].[Cl-].[Cl-].[Cl-], Cl[Ge](Cl)(Cl)Cl
- potassium ferrocyanide (Q422017): [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[K+].[K+].[K+].[K+].[Fe+2], [C]#N.[C]#N.[C]#N.[C]#N.[C]#N.[C]#N.[Fe-4].[K+].[K+].[K+].[K+]
- oxaliplatin (Q422327): NC1CCCCC1N.O=C([O-])C(=O)[O-].[Pt+2], O=C1O[Pt]2(NC3CCCCC3N2)OC1=O
- magnesium hydride (Q424091): [MgH2], [H-].[H-].[Mg+2]
- pyranose (Q424248): C(C1C(C(C(C(O1)O)O)O)O)O, OCC1OC(O)C(O)C(O)C1O
- domoic acid (Q424386): CC(C=CC=C(C)C1CNC(C1CC(=O)O)C(=O)O)C(=O)O, O=C(O)CC1C(NCC1C(=CC=CC(C(=O)O)C)C)C(=O)O
- urea nitrate (Q424712): C(=O)(N)N.[N+](=O)(O)[O-], N=C(N)O.O=[N+]([O-])O, C(=[OH+])(N)N.[N+](=O)([O-])[O-]
- germanium tetrafluoride (Q424958): [Ge+4].[F-].[F-].[F-].[F-], F[Ge](F)(F)F
- arsenic trisulfide (Q425065): S1[As]3S[As]2S[As](S[As]1S2)S3, S1[As]2S[As]1S2
- chrome alum (Q425240): [K]OS(=O)(=O)O[Cr]1OS(=O)(=O)O1, [O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[K+].[Cr+3]
- ammonium bifluoride (Q473546): [NH4+].F[H-]F, [NH4+].F.[F-]
- cosyntropin (Q560542): CC(C)C(C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)N3CCCC3C(=O)O)NC(=O)C4CCCN4C(=O)C(CCCCN)NC(=O)CNC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC7=CC=CC=C7)NC(=O)C(CC8=CNC=N8)NC(=O)C(CCC(=O)O)NC(=O)C(CCSC)NC(=O)C(CO)NC(=O)C(CC9=CC=C(C=C9)O)NC(=O)C(CO)N, CC(C)C(C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)N3CCCC3C(=O)O)NC(=O)C4CCCN4C(=O)C(CCCCN)NC(=O)CNC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC7=CC=CC=C7)NC(=O)C(CC8=CN=CN8)NC(=O)C(CCC(=O)O)NC(=O)C(CCSC)NC(=O)C(CO)NC(=O)C(CC9=CC=C(C=C9)O)NC(=O)C(CO)N
- Ponceau 6R (Q596946): OC1=C(/N=N/C2=CC=CC3=CC=CC=C32)C4=C(S([O-])(=O)=O)C=C(S([O-])(=O)=O)C=C4C=C1.[Na+].[Na+], [Na+].[Na+].[Na+].[Na+].Oc1cc(c2ccccc2c1N=Nc3c(O)c(cc4cc(cc(c34)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-], C1=CC=C2C(=C1)C=CC=C2N=NC3=C(C=CC4=CC(=CC(=C43)S(=O)(=O)O)S(=O)(=O)[O-])[O-].[Na+].[Na+]
- disodium hydrogen phosphite (Q661724): O=P([O-])([O-])[H].[Na+].[Na+], [O-]P(=O)[O-].[Na+].[Na+]
- idrocilamide (Q682532): C1=CC=C(C=C1)C=CC(=O)NCCO, OCCNC(=O)C=CC1=CC=CC=C1
- lapachol (Q739601): CC(=CCC1=C(C2=CC=CC=C2C(=O)C1=O)O)C, CC(=CCC1=C(C(=O)c2ccccc2C1=O)O)C
- desaspidin (Q904668): CCCC(=O)C1=C(C(=C(C=C1O)OC)CC2=C(C(C(=O)C(=C2O)C(=O)CCC)(C)C)O)O, CCCC(=O)c1c(cc(c(c1O)CC2=C(C(C(=C(C2=O)C(=O)CCC)O)(C)C)O)OC)O
- (RS)-nornicotine (Q907939): C1CC(NC1)C2=CN=CC=C2, N=1C=CC=C(C1)C2NCCC2
- bismuth pentafluoride (Q965955): [F-].[F-].[F-].[F-].[F-].[BiH3+3], [F-].[F-].[F-].[F-].[F-].[Bi+5]
- chromium(III) chromate (Q1087509): [Cr+3].[Cr+3].[O-][Cr](=O)(=O)[O-].[O-][Cr]([O-])(=O)=O.[O-][Cr]([O-])(=O)=O, [O-][Cr](=O)(=O)[O-].[O-][Cr](=O)(=O)[O-].[O-][Cr](=O)(=O)[O-].[Cr+3].[Cr+3]
- cyanoacetamide (Q1146906): C(C#N)C(=O)N, N#CCC(=O)N
- potassium dicyanoaurate (Q1341604): [C-]#N.[C-]#N.[K+].[Au+], [C]#N.[C]#N.[Au-].[K+]
- decaborane (Q1951971): [H]1[BH]234[BH]156[BH]278[BH]39([H]4)[BH]712[BH]853[BH]645[BH]311[BH]922[BH]14([H]5)[H]2, [BH3]1[BH]23[BH]45[BH]26[BH]37[BH]18[BH]79[BH]64[BH]89[BH3]5
- tungsten(VI) oxytetrabromide (Q2350850): O=[W](Br)(Br)(Br)Br, O=[W].Br.Br.Br.Br
- tungsten(VI) oxytetrafluoride (Q2353163): O=[W](F)(F)(F)F, O=[W].F.F.F.F
- polonium dichloride (Q2377223): Cl[Po]Cl, [Cl-].[Cl-].[Po]
- disiamylborane (Q2402883): [B](C(C)C(C)C)C(C)C(C)C, B(C(C)C(C)C)C(C)C(C)C
- m-phenylenediamine (Q2410205): Nc1cc(N)ccc1, c1cc(cc(c1)N)N
- titanium(2+) di(2,4-cyclopentadienide) (Q2436874): [CH-]1C=CC=C1.[CH-]1C=CC=C1.[Ti+2], C1=C[CH]C=C1.C1=C[CH]C=C1.[Ti]
- isolan (Q2514069): CC1=NN(C(=C1)OC(=O)N(C)C)C(C)C, CC(C)N1N=C(C)C=C1OC(=O)N(C)C
- zirconium carbide (Q2615051): [C].[Zr], [Zr+]#[C-]
- ditellurium bromide (Q2624260): [Te](Br)[Te], Br[Te][Te]
- trabectedin (Q2637746): CC1=C(C(=C2C3C4C5C6=C(C(N4C(C(N3C)CC2=C1)O)COC(=O)C7(CS5)C8=CC(=C(C=C8CCN7)O)OC)C9=C(C(=C6OC(=O)C)C)OCO9)O)OC, O=C(OC=1C(=C2OCOC2=C3C1C4SCC5(NCCC6=CC(O)=C(OC)C=C65)C(=O)OCC3N7C(O)C8N(C)C(C9=C(O)C(OC)=C(C=C9C8)C)C74)C)C
- glycerylphosphorylcholine (Q2706622): C[N+](C)(C)CCOP([O-])(=O)OCC(O)CO, C[N+](C)(C)CCOP(=O)([O-])OCC(CO)O
- 3-methylcrotonyl-CoA (Q2816001): CC(=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O)C, CC(=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)C
- 3-methylheptane (Q2816006): CCCCC(C)CC, CC(CC)CCCC
- acesulfame (Q2823822): O1[S](=O)(=O)NC(=O)C=C1C, CC1=CC(=O)NS(=O)(=O)O1
- cycloxydim (Q3008606): CCCC(=C1C(=O)CC(CC1=O)C2CCCSC2)NOCC, CCCC(C1=C(CC(CC1=O)C2CCCSC2)O)=NOCC
- monosodium methyl arsenate (Q3066718): [Na+].[O-][As]([O-])(=O)OC, C[As](=O)(O)[O-].[Na+]
- p-anisidine (Q3333299): COc1ccc(cc1)N, COC1=CC=C(C=C1)N
- Methyllycaconitine (Q3333710): CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)CC(C8=O)C, O=C(OCC12CN(CC)C3C4(O)C(OC)C1C3(C(OC)CC2)C5CC6C(OC)CC4(O)C5C6OC)C=7C=CC=CC7N8C(=O)CC(C8=O)C
- tirapazamine (Q3529346): C1=CC=C2C(=C1)[N+](=C(N=[N+]2[O-])N)[O-], c1ccc2c(c1)[n+](c(n[n+]2[O-])N)[O-]
- aurotioprol (Q3629883): C(C(CS(=O)(=O)O)O)S.[Na+].[Au+], C(C(CS(=O)(=O)[O-])O)[S-].[Na+].[Au+]
- bismuth subgallate (Q3757667): C1=C(C=C(C2=C1O[Bi]O2)O)C(=O)O.O, c1c(cc(c(c1O)[O-])[O-])C(=O)O.[OH-].[Bi+3]
- iron(II,III) sulfide (Q3809537): [Fe].[Fe].[Fe].[S].[S].[S].[S], [S-2].[S-2].[S-2].[S-2].[Fe+2].[Fe+3].[Fe+3]
- cobalt(II) aluminate (Q4063718): [O-][Al]=O.[O-][Al]=O.[Co+2], [O-2].[O-2].[O-2].[O-2].[Al+3].[Al+3].[Co+2]
- Direct Yellow 4 (Q4096518): O=C1C=CC(=NNc2ccc(/C=C/c3ccc(NN=C4C=CC(=O)C=C4)cc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])c2)C=C1.[Na+].[Na+], O=S(=O)(O)c1cc(N=Nc2ccc([O-])cc2)ccc1C=Cc1ccc(N=Nc2ccc([O-])cc2)cc1S(=O)(=O)O.[Na+].[Na+]
- clinofibrate (Q4116993): CCC(C)(C(=O)O)OC1=CC=C(C=C1)C2(CCCCC2)C3=CC=C(C=C3)OC(C)(CC)C(=O)O, CCC(C)(C(=O)O)Oc1ccc(cc1)C2(CCCCC2)c3ccc(cc3)OC(C)(CC)C(=O)O
- hydroxidooxidoaluminium (Q4291506): O[Al]=O, [OH-].[O-2].[Al+3]
- bismuth(III) oxyfluoride (Q4332797): F[Bi]=O, [O-2].[F-].[Bi+3]
- nickel potassium cyanide (Q4456691): [C-]#N.[C-]#N.[C-]#N.[C-]#N.[K+].[K+].[Ni+2], [C]#N.[C]#N.[C]#N.[C]#N.[K+].[K+].[Ni-2]
- Ethyl lithium (Q4532979): [Li+].C[CH2-], [Li].C[CH2]
- 2-Phenethyl propionate (Q4596915): O=C(OC(c1ccccc1)C)CC, CCC(=O)OCCc1ccccc1
- Aluminium nicotinate (Q4737395): C1=CC(=CN=C1)C(=O)[O-].C1=CC(=CN=C1)C(=O)[O-].C1=CC(=CN=C1)C(=O)[O-].[Al+3], c1cc(cnc1)C(=O)[O-].c1cc(cnc1)C(=O)[O-].c1cc(cnc1)C(=O)[O-].[Al+3]
- amflutizole (Q4745983): C1=CC(=CC(=C1)C(F)(F)F)C2=NSC(=C2N)C(=O)O, c1cc(cc(c1)C(F)(F)F)c2c(c(sn2)C(=O)O)N
- Ampyzine (Q4748577): CN(C)C1=NC=CN=C1, CN(C)c1cnccn1
- N-[4-(1-cyanocyclopentyl)phenyl]-2-[(4-methylpyridin-3-yl)amino]pyridine-3-carboxamidemesylate (Q4779233): CS(=O)(=O)O.Cc1ccncc1Nc1ncccc1C(=O)Nc1ccc(C2(C#N)CCCC2)cc1, CS(=O)(=O)O.N#CC1(c2ccc(NC(=O)c3cccnc3NCc3ccncc3)cc2)CCCC1
- Asoxime chloride (Q4807670): C1=CC(=C[NH+]=O)N(C=C1)COC[N+]2=CC=C(C=C2)C(=O)N.[Cl-].[Cl-], c1cc[n+](c(c1)/C=N/O)COC[n+]2ccc(cc2)C(=O)N.[Cl-].[Cl-]
- voacangine (Q5015902): CCC1CC2CN3CCC4=C(NC5=C4C=C(OC)C=C5)C(C2)(C13)C(=O)OC, O=C(OC)C12C=3NC=4C=CC(OC)=CC4C3CCN5CC(CC(CC)C51)C2
- cyclobenzaprine (Q5198674): CN(C)CCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31, CN(C)CCC=C1c2ccccc2C=Cc3c1cccc3
- exisulind (Q5420370): CC1=C(CC(O)=O)C2=C(C=CC(F)=C2)\C1=C/C1=CC=C(C=C1)S(C)(=O)=O, CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)(=O)C)C=CC(=C2)F)CC(=O)O
- fidaxomicin (Q5446672): CCC1C=C(C(CC=CC=C(C(=O)OC(CC=C(C=C(C1OC2C(C(C(C(O2)(C)C)OC(=O)C(C)C)O)O)C)C)C(C)O)COC3C(C(C(C(O3)C)OC(=O)C4=C(C(=C(C(=C4O)Cl)O)Cl)CC)O)OC)O)C, O=C(OC1C(O)C(OC)C(OCC2=CC=CCC(O)C(=CC(CC)C(OC3OC(C)(C)C(OC(=O)C(C)C)C(O)C3O)C(=CC(=CCC(OC2=O)C(O)C)C)C)C)OC1C)C=4C(O)=C(Cl)C(O)=C(Cl)C4CC
- furafylline (Q5509469): CC1=NC2=C(N1)C(=O)N(C(=O)N2CC3=CC=CO3)C, Cc1[nH]c2c(n1)n(c(=O)n(c2=O)C)Cc3ccco3
- Gavestinel (Q5528046): C1=CC=C(C=C1)NC(=O)C=CC2=C(NC3=CC(=CC(=C32)Cl)Cl)C(=O)O, c1ccc(cc1)NC(=O)/C=C/c2c3c(cc(cc3Cl)Cl)[nH]c2C(=O)O
- hexafluoroacetylacetone (Q5748732): FC(F)(F)C(=O)CC(=O)C(F)(F)F, C(C(=O)C(F)(F)F)C(=O)C(F)(F)F
- Isoindene (Q6085797): C12=CCC=C1C=CC=C2, C1C=C2C=CC=CC2=C1
- LY-404,187 (Q6460433): CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)c2ccc(cc2)C#N, CC(C)S(=O)(=O)NCC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C#N
- macelignan (Q6723225): c3cc1OCOc1cc3CC(C)C(C)Cc(ccc2O)cc2OC, CC(CC1=CC2=C(C=C1)OCO2)C(C)CC3=CC(=C(C=C3)O)OC
- (R)-Massoia lactone (Q6784821): CCCCCC1CC=CC(=O)O1, O=C1OC(CC=C1)CCCCC
- methylenedioxybenzylamphetamine (Q6823981): C1=C3C(=CC=C1CC(C)NCC2=CC=CC=C2)OCO3, CC(CC1=CC2=C(C=C1)OCO2)NCC3=CC=CC=C3
- Methylenedioxydimethylamphetamine (Q6823984): C1=C2C(=CC=C1CC(C)N(C)C)OCO2, CC(CC1=CC2=C(C=C1)OCO2)N(C)C
- (EZ)-PPADS (Q7120083): Oc2c(C=O)c(COP(O)(=O)O)c(/N=N/c1ccc(cc1S(O)(=O)=O)S(O)(=O)=O)nc2C, CC=1C(=C(C=O)C(COP(O)(O)=O)=C(N1)N=NC=2C=CC(=CC2S(O)(=O)=O)S(O)(=O)=O)O
- phosphoryl bromide (Q7187576): O=P(Br)(Br)Br, O(P(Br)Br)Br
- Pirenoxine (Q7197959): C1=CC=C2C(=C1)N=C3C(=CC(=O)C4=C3C(=O)C=C(N4)C(=O)O)O2, c1ccc2c(c1)nc-3c4c(cc(nc4c(=O)cc3o2)C(=O)O)O
- Pirquinozol (Q7198091): C1=CC2=C3C=C(NN3C(=O)N=C2C=C1)CO, c1ccc2c(c1)c3cc(nn3c(=O)[nH]2)CO
- retinyl palmitate (Q7316807): CC1(C)CCCC(\C)=C1\C=C\C(\C)=C\C=C\C(\C)=C\C(=O)OC(=O)CCCCCCCCCCCCCCC, CCCCCCCCCCCCCCCC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(CCCC1(C)C)C
- SCH 900271 (Q7389144): O=C1C=C(CCCC2(CC2)C)C(C(NC(N3)=O)=O)=C3O1, CC1(CC1)CCCC2=CC(=O)OC3=C2C(=O)NC(=O)N3
- SIB-1553A (Q7390266): OC1=CC=C(SCCC2CCCN2C)C=C1, CN1CCCC1CCSC2=CC=C(C=C2)O
- Sulfoxide, 3-chloropropyl octyl (Q7636217): ClCCCS(=O)CCCCCCCC, CCCCCCCCS(=O)CCCCl
- technetium (99mTc) exametazime (Q7692225): CC(C(=NO)C)NCC(C)(C)CNC(C)C(=NO)C.CC(C(=NO)C)NCC(C)(C)CNC(C)C(=NO)C.[Tc].[Tc], CC(NCC(CNC(C(=NO)C)C)(C)C)C(=NO)C.[Tc]
- technetium (99mTc) medronic acid (Q7692228): C(P(=O)(O)O)P(=O)(O)O.[Tc], [99Tc].[H]C([H])(P(O)(O)=O)P(O)(O)=O
- Tolgabide (Q7814247): CC1=CC(=CC(=C(C2=CC=C(C=C2)Cl)NCCCC(=O)N)C1=O)Cl, Cc1cc(cc(c1O)/C(=N/CCCC(=O)N)/c2ccc(cc2)Cl)Cl
- Tuclazepam (Q7851139): CN1C2=CC=CC=C2C(=NCC1(CO)Cl)C3=CC=CC=C3Cl, CN1c2ccc(cc2C(=NCC1CO)c3ccccc3Cl)Cl
- UBP-302 (Q7863873): O=C(O)c2ccccc2Cn1c(=O)n(CC(N)C(O)=O)ccc1=O, C1=CC=C(C(=C1)CN2C(=O)C=CN(C2=O)CC(C(=O)O)N)C(=O)O
- vernolepin (Q7922030): C=CC12CC(C3C(C1C(=C)C(=O)OC2)OC(=O)C3=C)O, O=C1OCC2(C=C)CC(O)C3C(=C)C(=O)OC3C2C1=C
- WAY-267,464 (Q7946884): CC1=C(C=CC(=C1)C(=O)N2CC3=CNN(C3=NC4=CC=CC=C42)C)CNC(=O)N5CCN(CC5)CC6=CC(=CC(=C6)O)O, CC1=C(C=CC(=C1)C(=O)N2CC3=C(NC4=CC=CC=C42)N(N=C3)C)CNC(=O)N5CCN(CC5)CC6=CC(=CC(=C6)O)O
- xantocillin (Q8043134): [C-]#[N+]/C(=Cc1ccc(cc1)O)/C(=C/c2ccc(cc2)O)/[N+]#[C-], [C-]#[N+]C(=CC1=CC=C(O)C=C1)C([N+]#[C-])=CC2=CC=C(O)C=C2
- zosuquidar (Q8074586): c1ccc2c(c1)C(c3ccccc3C4C2C4(F)F)N5CCN(CC5)CC(COc6cccc7c6cccn7)O, C1CN(CCN1CC(COC2=CC=CC3=C2C=CC=N3)O)C4C5=CC=CC=C5C6C(C6(F)F)C7=CC=CC=C47
- salvinorin C (Q9333047): CC(=O)OC1C=C(C2(CCC3C(=O)OC(CC3(C2C1OC(=O)C)C)C4=COC=C4)C)C(=O)OC, O=C(OC)C1=CC(OC(=O)C)C(OC(=O)C)C2C1(C)CCC3C(=O)OC(C4=COC=C4)CC32C
- α-santalol (Q10859742): CC(=CCCC1(C2CC3C1(C3C2)C)C)CO, CC(=C(CCC1(C)C2(CC3(C(C2)(C31C)[H])[H])[H])[H])CO
- geranin A (Q15253773): Oc4cc3OC(C2O)(c(cc6)ccc6O)Oc5cc(O)cc(O)c5C2c3c(c4CC1O)OC1c(cc7)ccc7O, OC1=CC=C(C=C1)C2OC=3C(=C(O)C=C4OC5(OC=6C=C(O)C=C(O)C6C(C43)C5O)C7=CC=C(O)C=C7)CC2O
- 4-AcO-DALT (Q15405281): CC(=O)Oc1cccc2c1c(c[nH]2)CCN(CC=C)CC=C, CC(=O)OC1=CC=CC2=C1C(=CN2)CCN(CC=C)CC=C
- ammonium ferrocyanide (Q15628102): [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[NH4+].[NH4+].[NH4+].[NH4+].[Fe+2], [C]#[NH+].[C]#[NH+].[C]#[NH+].[C]#[NH+].[C]#N.[C]#N.[Fe-4].N.N.N.N
- sodium hexacyanoferrate(3-) (Q15628142): [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Na+].[Na+].[Na+].[Fe+3], [C]#N.[C]#N.[C]#N.[C]#N.[C]#N.[C]#N.[Fe-3].[Na+].[Na+].[Na+]
- silacyclobutane (Q16948433): C1CC[SiH2]1, C1C[SiH2]C1
- manganese dibenzoate (Q17318234): O.O.O.O.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mn+2], O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Mn+2]
- dinickel silicide (Q18212011): [Ni].[Ni].[SiH4], [Ni].[Ni].[Si]
- zinc diarsenide (Q18212782): [As-]=[AsH].[As-]=[AsH].[Zn+2], [As-3].[As-3].[Zn+2]
- Caffeoylmalic acid (Q18379746): C1=CC(=C(C=C1C=CC(=O)OC(CC(=O)O)C(=O)O)O)O, O=C(OC(C(=O)O)CC(=O)O)C=CC1=CC=C(O)C(O)=C1
- silolane (Q19862517): C1CCC[SiH2]1, C1CC[SiH2]C1
- L-topaquinone (Q24063673): C(C1=CC(C(=CC1=O)O)=O)C(C(=O)O)(N)[H], C1=C(C(=CC(=O)C1=O)O)CC(C(=O)O)N
- ruthenium(III) fluoride (Q24629073): F[Ru](F)F, [F-].[F-].[F-].[Ru+3]
- scillaren A (Q27103365): CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)O)OC7C(C(C(C(O7)CO)O)O)O, O=C1OC=C(C=C1)C2CCC3(O)C4CCC5=CC(OC6OC(C)C(OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC23C
- 9'-cis-neoxanthin (Q27104309): CC(=C(C(=C(C(=C(C)C(=C(C(=C(C)C(=C(C12C(C)(C)CC(CC1(C)O2)(O)[H])[H])[H])[H])[H])[H])[H])[H])[H])[H])C(=C(C(=C(C)C(=C=C3C(C)(C)CC(CC3(C)O)(O)[H])[H])[H])[H])[H], OC1CC(O)(C(=C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC23OC3(C)CC(O)CC2(C)C)C)C)C)C)C(C)(C)C1)C
- L-2-aminoadipic acid (Q27104392): C(CC(C(=O)O)N)CC(=O)O, NC(CCCC(O)=O)C(O)=O
- 3-oxo Delta(4)-steroid (Q27104599): CC12CCCC1C3CCC4=CC(=O)CCC4(C3CC2)C, C12C(C3C(C(CC3)*)(C)CC1)CCC=4C2(CCC(C4)=O)C
- haemanthamine (Q27106819): COC1CC2C3(C=C1)C(CN2CC4=CC5=C(C=C34)OCO5)O, OC1CN2CC3=CC=4OCOC4C=C3C51C=CC(OC)CC25
- taraxasterol (Q27108380): CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CCC2(CCC1=C)C)C)C)(C)C)O)C, OC1CCC2(C)C(CCC3(C)C2CCC4C5C(C(=C)CCC5(C)CCC43C)C)C1(C)C
- k-Strophanthoside (Q27108663): CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)OC)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)O, O=CC12CCC(OC3OC(C)C(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C(OC)C3)CC2(O)CCC6C1CCC7(C)C(C8=CC(=O)OC8)CCC67O
- uranyl hydrogenphosphate (Q27109847): OP(=O)([O-])[O-].O=[U+2]=O, [O-2].[O-2].OP(=O)([O-])[O-].[U+6]
- tetrafluoroargentate(1-) (Q27111683): [Ag+3].[F-].[F-].[F-].[F-], F[Ag-](F)(F)F
- cadmium-113 (Q27123516): [Cd], [113Cd]
- EDTA methidiumpropylamide (Q27126421): C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=C(C=C4)NCCCNC(=O)CN(CCN(CC(=O)O)CC(=O)[O-])CC(=O)O)N)N, O=C(O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)NCCCNC(=O)C1=CC=C(C=C1)C=2C3=CC(N)=CC=C3C=4C=CC(N)=CC4[N+]2C
- NiFe3S4 cluster (Q27130943): S12[Ni]3S4[Fe]5S3[Fe]1S5[Fe]24, S12[Fe]3S4[Fe]1S5[Fe]2S3[Ni]45
- tartrazine acid (Q27137057): C=1C=C(C=CC1N=NC2C(C(O)=O)=NN(C3=CC=C(C=C3)S(O)(=O)=O)C2=O)S(O)(=O)=O, C1=CC(=CC=C1N=NC=2C(=NN(C2O)C3=CC=C(C=C3)S(=O)(=O)O)C(=O)O)S(=O)(=O)O
- shizukaol C (Q27138126): CC(=CC(=O)OC)CC1(C2CC2C3(C1CC4=C(C(=O)OC45C3CC6=C7C5C(=C(C)C(=O)OC)C(=O)C(C7(C8C6C8)C)O)CO)C)O, O=C(OC)C(=C1C(=O)C(O)C2(C3=C(CC4C5(OC(=O)C(=C5CC6C(O)(COC(=O)C(=CC)C)C7CC7C46C)CO)C13)C8CC82)C)C
- metavanadate ion (Q27145172): [O-][V](=O)=O, O=[V-](=O)=O
- potassium hexafluoroarsenate (Q27155789): F[As-](F)(F)(F)(F)F.[K+], [K+].[F-][As+5]([F-])([F-])([F-])([F-])[F-]
- acetylsulfathiazole (Q27156843): CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CS2, CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nccs2
- tellurium dibromide (Q27237043): Br[Te]Br, [Br-].[Br-].[Te]
- N,N-diethyltoluene-2,5-diamine hydrochloride (Q27256913): CCN(CC)C1=CC(=C(C=C1)N)C.Cl, [N+](c1cc(C)c(cc1)N)(CC)CC.[ClH-]
- 4-(2-chloroethyl)-1-ethyl-3,3-diphenylpyrrolidin-2-one (Q27256959): CCN1CC(C(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3)CCCl, CCN1CC(C(C1=O)(c2ccccc2)c3ccccc3)CCCl
- octicizer (Q27259513): CCCCC(CC)COP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2, CCCCC(CC)COP(=O)(Oc1ccccc1)Oc2ccccc2
- 3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2H)-isoquinolinone (Q27260726): C1CCN(CC1)CCCCOC2=CC=CC3=C2CCNC3=O, c1cc2c(c(c1)OCCCCN3CCCCC3)CCNC2=O
- gt-094 (Q27263889): CCOC(=O)C1=CC=CC=C1SSCC(CO[N+](=O)[O-])O[N+](=O)[O-], CCOC(=O)c1ccccc1SSCC(CO[N+](=O)[O-])O[N+](=O)[O-]
- carbaspirin (Q27266181): CC(=O)OC1=CC=CC=C1C(=O)O.C(=O)(N)N, CC(=O)Oc1ccccc1C(=O)O.C(=O)(N)N
- prednisolone sodium succinate (Q27269293): CC12CC(C3C(C1CCC2(C(=O)COC(=O)CCC(=O)[O-])O)CCC4=CC(=O)C=CC34C)O.[Na+], CC12C=CC(C=C2CCC3(C4(CCC(C(COC(CCC(=O)[O-])=O)=O)(C4(C)CC(C31[H])(O)[H])O)[H])[H])=O.[Na-]
- carbazochrome sulfonic acid (Q27274758): CN1C(CC2=CC(=NNC(=O)N)C(=O)C=C21)S(=O)(=O)O, CN1C(CC2=CC(=C(C=C21)O)N=NC(=O)N)S(=O)(=O)O
- ammonium ferricyanide (Q27276423): [C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[NH4+].[NH4+].[NH4+].[Fe+3], [C]#[NH+].[C]#[NH+].[C]#[NH+].[C]#N.[C]#N.[C]#N.[Fe-3].N.N.N
- DL-2,3,5-trimethoxyamphetamine (Q27282948): CC(CC1=CC(=CC(=C1OC)OC)OC)N, COc1cc(CC(N)C)c(c(c1)OC)OC
- fluorescent brightener 130 (Q27290094): CC1=CC(=O)OC2=C1C=CC(=C2)N(C)C, O=C1OC=2C=C(C=CC2C(=C1)C)N(C)C
- Angeli's salt (Q49001221): N([O-])=N(=O)[O-].[Na+].[Na+], N([O-])=[N+]([O-])[O-].[Na+].[Na+]
- ipsdienol (Q55756695): C(CC(C=C)=C)(C=C(C)C)O, OC(C=C(C)C)CC(=C)C=C
- (-)-dihydrocarveol acetate (Q63399688): O=C(OC1CC(C(=C)C)CCC1C)C, CC1CCC(CC1OC(=O)C)C(=C)C
- dibenzyl phthalate (Q63399813): C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2C(=O)OCC3=CC=CC=C3, O=C(OCC=1C=CC=CC1)C=2C=CC=CC2C(=O)OCC=3C=CC=CC3
- Orfamide A (Q75063789): CCCCCCCCCCCC(O)CC(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC1C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(C(C)C)C(=O)OC1C, CCCCCCCCCCCC(O)CC(NC(C(NC(C(NC1C(C)OC(C(C(C)C)NC(C(CO)NC(C(CC(C)C)NC(C(CC(C)C)NC(C(CO)NC(C(CC(C)C)NC(C(NC1=O)C(CC)C)=O)=O)=O)=O)=O)=O)=O)=O)CCC(O)=O)=O)CC(C)C)=O
- Orfamide B (Q75065528): CCCCCCCCCCCC(O)CC(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC1C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(C(C)C)C(=O)OC1C, CCCCCCCCCCCC(CC(NC(CC(C)C)C(NC(CCC(O)=O)C(NC1C(OC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC(C(NC1=O)C(C)C)=O)CC(C)C)=O)CO)=O)CC(C)C)=O)CC(C)C)=O)CO)=O)C(C)C)=O)C)=O)=O)=O)O
- asperjinone (Q77506565): O=C1OC(=O)C(=C1C=2C=CC(O)=CC2)CC3=CC=C(O)C(=C3)CC4OC4(C)C, CC1(C)C(O)CC2=CC(CC3=C(C4=CC=C(O)C=C4)C(OC3=O)=O)=CC=C2O1
- 3-imino-3H-phenothiazin-7-amine (Q82005832): C1=CC2=C(C=C1N)SC3=CC(=N)C=CC3=N2, N=C1C=CC2=NC=3C=CC(N)=CC3SC2=C1
- Cyclopenta-1,4-dien-1-ol (Q82428888): C1C=CC(=C1)O, OC=1C=CCC1
- 2-[3,5-Dimethoxy-4-(methylsulfanyl)phenyl]ethan-1-amine (Q82573911): COC1=CC(=CC(=C1SC)OC)CCN, NCCc1cc(OC)c(c(c1)OC)SC
- 5-TASB (Q82574342): CCOC1=C(C(=CC(=C1)CCN)SC)OCC, NCCc1cc(OCC)c(c(c1)SC)OCC
- 3,7,9-Trimethoxy-4,4a-dihydro-3H,6H-5,10b-ethanophenanthridin-8-ol (Q82899323): COc1cc2c(c(OC)c1O)CN1CCC23C=CC(OC)CC13, COC1CC2C3(CCN2CC4=C(C(=C(C=C43)OC)O)OC)C=C1
- 1-(4-Methoxy-2H-1,3-benzodioxol-5-yl)propan-2-amine (Q82924091): COc1c(CC(C)N)ccc2c1OCO2, COc1c(ccc2c1OCO2)CC(N)C
- bismin (Q83053819): C1=CC=[Bi]C=C1, [Bi].[CH+]/C=C\C=[CH-]
- Ancovenin (Q83118994): C=C1NC(=O)C2CSCCC(NC(=O)C(CC(C)C)NC(=O)C3CCCN3C(=O)CNC(=O)C(Cc3ccccc3)NC1=O)C(=O)NC(Cc1c[nH]c3ccccc13)C(=O)NC(CO)C(=O)NC1CSCC(NC(=O)C(CCC(N)=O)NC(=O)C(C(C)C)NC(=O)C(N)CSCCC(C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(CC(=O)O)NC1=O)C(=O)N2, C=C1NC(=O)C2CSC(C)C(NC(=O)C(CC(C)C)NC(=O)C3CCCN3C(=O)CNC(=O)C(Cc3ccccc3)NC1=O)C(=O)NC(Cc1c[nH]c3ccccc13)C(=O)NC(CO)C(=O)NC1CSCC(NC(=O)C(CCC(N)=O)NC(=O)C(C(C)C)NC(=O)C(N)CSC(C)C(C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC(N)=O)NC(=O)CNC(=O)C(CC(=O)O)NC1=O)C(=O)N2
- 3,6-dimethyl-2,3,3a,4,5,7a-hexahydro-1-benzofuran (Q104375660): O1CC(C)C2CCC(=CC12)C, CC1COC2C1CCC(=C2)C
- 3-O-Acetylpomolic acid (Q104400127): O=C(OC1CCC2(C)C(CCC3(C)C2CC=C4C5C(O)(C)C(C)CCC5(C(=O)O)CCC43C)C1(C)C)C, CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C)C)C)C2C1(C)O)C)C(=O)O
- 1-propenyl propyl disulfide (Q104720519): CCCSSC=CC, S(SCCC)C=CC
- achilleol A (Q104915253): OC1CCC(=C)C(CCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C1(C)C, CC(=CCCC(=CCCC(=CCCC=C(C)CCC1C(=C)CCC(C1(C)C)O)C)C)C
- ketohexose (open form) (Q104937092): O=C(CO)C(O)C(O)C(O)CO, C(C(C(C(C(=O)CO)O)O)O)O
- aldehydo-hexose (Q105024342): O=CC(O)C(O)C(O)C(O)CO, C(C(C(C(C(C=O)O)O)O)O)O
- (1R,2R,3R,4S)-1,3-bis(acetyloxy)-11-(diazyn-1-ium-1-yl)-2,4,10-trihydroxy-2-methyl-5-oxo-1H,3H,4H-benzo[b]fluoren-9-olate (Q105167982): N#[N+]C=1C2=C(O)C=3C([O-])=CC=CC3C(=O)C2=C4C1C(OC(=O)C)C(O)(C)C(OC(=O)C)C4O, N#[N+]C1=C2C(=O)C=3C(O)=CC=CC3C([O-])=C2C4=C1C(OC(=O)C)C(O)(C)C(OC(=O)C)C4O
- PNIOKHKXUGHMAV-JGBUZTLDSA-N (Q105211956): N#[N+]C=1C=2C(=O)C=3C(O)=CC=C(O)C3C(=O)C2C4=C([O-])C(C5C([O-])=C6C=7C(=O)C=8C(O)=CC=C(O)C8C(=O)C7C([N+]#N)=C6C(OC9OC(C)C(N(C)C)C(O)C9)C5(OC%10OC(C)C(O)C(OC)C%10)CC)C(OC%11OC(C)C(O)C(OC)C%11)(CC)C(OC%12OC(C)C(N(C)C)C(O)C%12)C14, N#[N+]C1=C2C(O)=C3C(=O)C=CC([O-])=C3C(O)=C2C=4C(=O)C(C5C(=O)C=6C7=C(O)C8=C([O-])C=CC(=O)C8=C(O)C7=C([N+]#N)C6C(OC9OC(C)C(N(C)C)C(O)C9)C5(OC%10OC(C)C(O)C(OC)C%10)CC)C(OC%11OC(C)C(O)C(OC)C%11)(CC)C(OC%12OC(C)C(N(C)C)C(O)C%12)C14
- (1R,2R,3R,4S)-1,2,3-Triacetyloxy-4,5,9-trihydroxy-2-methyl-10-oxo-3,4-dihydro-1H-benzo[b]fluorene-11-diazonium (Q105331539): N#[N+]C1=C2C(=O)C=3C(O)=CC=CC3C([O-])=C2C4=C1C(OC(=O)C)C(OC(=O)C)(C)C(OC(=O)C)C4O, N#[N+]C=1C2=C(O)C=3C([O-])=CC=CC3C(=O)C2=C4C1C(OC(=O)C)C(OC(=O)C)(C)C(OC(=O)C)C4O
- ischemin (Q105337044): CC1=CC(N=NC2=CC(=C(C)C=C2C)S(=O)(=O)O)=C(N)C=C1O, CC1=CC(=C(C=C1NN=C2C=C(C(=O)C=C2N)C)S(=O)(=O)O)C
- Cannabisin D (Q105344662): COC1=C(C=CC(=C1)C2C(C(=CC3=CC(=C(C=C23)O)OC)C(=O)NCCC4=CC=C(C=C4)O)C(=O)NCCC5=CC=C(C=C5)O)O, COc1cc(C2c3cc(O)c(OC)cc3C=C(C(=O)NCCc3ccc(O)cc3)C2C(=O)NCCc2ccc(O)cc2)ccc1O
- 3β-hydroxylupanine (Q105528925): C1CCN2CC3CC(C2C1)CN4C3CCC(C4=O)O, O=C1N2CC3CC(CN4CCCCC43)C2CCC1O
- (+)-chrysanthenone (Q105969941): CC1=CCC2C(=O)C1C2(C)C, O=C1C2C(=CCC1C2(C)C)C
- fructose-6-phosphate (Q110077781): O=C(CO)C(O)C(O)C(O)COP(=O)(O)O, O=P(O)(O)OCC1OC(O)(CO)C(O)C1O
- Disperse Yellow 39 (Q110868204): O=C1C(=CC2=CC=C(C=C2)N(C)C)NC=3C=CC=CC13, CN(C)C1=CC=C(C=C1)C=C2C(=O)C3=CC=CC=C3N2
- Mycalolide D (Q111267424): O=CN(C=CC(C)C(OC(=O)C)C(C)C(OC(=O)C(OC)COC)CCC(C)C(OC)CC1OC(=O)CC(O)CC=CC(=O)CC(C(=O)NC(=O)C=2N=C(OC2)C=3N=C(OC3)C=CCC(OC)C1C)C)C, COCC(OC)C(=O)OC(CCC(C)C(CC1OC(=O)CC(O)CC=CC(=O)CC(C)C(=O)NC(=O)c2coc(n2)-c2coc(n2)C=CCC(OC)C1C)OC)C(C)C(OC(C)=O)C(C)C=CN(C)C=O
- hyperelodione D (Q116482353): C/C(C)=C\CC/C(C)=C/CC1=C2C3(O[H])C(C4(C/C=C(C)/CC/C=C(C)/C)C1=O)(O[H])C(C(C)=CC4)([H])CC3([H])C(C)(C)O2, C/C(C)=C/CC1=C2C3(O[H])C(C4(C/C=C(C)/CC/C=C(C)/C)C1=O)(O[H])C(C(C)=CC4)([H])CC3([H])C(CC/C=C(C)/C)(C)O2
- Q120143283: O=C(O)C(C1=CC=C(C=C1)NCC(=C)C)C, CC(C1=CC=C(C=C1)NCC(=C)C)C(=O)O