CID int64 1 166M | SMILES stringlengths 2 100 | description stringlengths 110 8.95k | sequence stringlengths 255 5.1k |
|---|---|---|---|
1 | CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C | This is a description of a molecule: The molecule is an O-acylcarnitine having acetyl as the acyl substituent. It has a role as a human metabolite. It is functionally related to an acetic acid. It is a conjugate base of an O-acetylcarnitinium.
The molecule is a natural product found in Pseudo-nitzschia multistriata, Eu... | <graph>g_198molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_199molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_200molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,000 | C(CCl)C(F)(F)F | This is a description of a molecule: 3-chloro-1,1,1-trifluoropropane appears as a colorless odorless nonflammable liquid. Poisonous by inhalation. Emits toxic fumes of chlorine and fluorine when heated to decomposition. Generate this molecule graph between <graph> </graph>: | <graph>g_276molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0molecule#edge#1g_277molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_278molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
100,005 | C1=CC=C(C=C1)CC(CO)NC(=O)C2=CC=CC=C2 | This is a description of a molecule: The molecule is a natural product found in Aspergillus flavipes with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_398molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_399molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_400molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,000,860 | C[C@@H](C(=O)[O-])[O-].C1C[C@H]([C@@H]1CN)CN.[Pt+2] | This is a description of a molecule: Lobaplatin has been used in trials studying the treatment of Breast Cancer, Hepatocellular Carcinoma, and Lobaplatin and Gemcitabine in Combination, Second-line Treatments on Advanced Osteosarcoma. Generate this molecule graph between <graph> </graph>: | <graph>g_203molecule#node#0#7molecule#node#1#0molecule#node#2#4molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_204molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_205molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
100,016 | C1=CN(C(=O)N=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O | This is a description of a molecule: The molecule is a member of pyrimidine ribonucleosides.
A chemically stable, cytidine analog that displays anti-tumor properties. It acts as a transition state analog inhibitor of cytidine deaminase by binding to the active site as covalent hydrates. Also shown to inhibit DNA methyl... | <graph>g_487molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_488molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_489molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
100,034 | CC1(CC2C=C(C34CC3(C2C1)C(=O)OC4O)C=O)C | This is a description of a molecule: The molecule is a natural product found in Strobilurus esculentus with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_243molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0molecule#edge#1g_244molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_245molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,005 | C(#N)N=C(N)N | This is a description of a molecule: The molecule is a guanidine in which one of the amino hydrogens of guanidine itself is substituted by a cyano group. It is used in the manufacture of fertilizers, pharmaceuticals, explosives, oil well drilling muds, and dyestuffs. It has a role as a curing agent, a flame retardant, ... | <graph>g_474molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_475molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#2molecule#edge#1#0g_474molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,006 | C1C(=O)NC(=O)N1 | This is a description of a molecule: The molecule is an imidazolidine-2,4-dione.
Compounds based on imidazolidine dione. Some derivatives are ANTICONVULSANTS. Generate this molecule graph between <graph> </graph>: | <graph>g_154molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_155molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_156molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
100,070,543 | C[S@](=O)CCCCCC#N | This is a description of a molecule: The molecule is a natural product found in Aurinia sinuata with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_435molecule#node#0#15molecule#node#1#2molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_436molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_435molecule#node#0#15molecule#node#1#2molecule#node#2#5molecule#no... |
100,077 | CC1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)C | This is a description of a molecule: The molecule is a natural product found in Penicillium roqueforti with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_24molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0molecule#edge#1g_25molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_26molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#... |
1,001 | C1=CC=C(C=C1)CCN | This is a description of a molecule: The molecule is a phenylethylamine having the phenyl substituent at the 2-position. It has a role as a human metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a phenylethylamine, an aralkylamine and an alkaloid. It is a conjugate base of a 2-phenylethanaminium... | <graph>g_110molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_111molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_112molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,010 | C(CSSCCC(C(=O)O)N)C(C(=O)O)N | This is a description of a molecule: The molecule is an organic disulfide obtained by oxidative dimerisation of homocysteine. It has a role as a human metabolite. It is a tautomer of a homocystine zwitterion. Generate this molecule graph between <graph> </graph>: | <graph>g_117molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_118molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_119molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,011,839 | CCC/C=C\O | This is a description of a molecule: The molecule is a natural product found in Akebia trifoliata with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_39molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0molecule#edge#1g_40molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_41molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#... |
10,011,999 | CC1=CC(=O)C[C@@H](O1)CO | This is a description of a molecule: The molecule is a natural product found in Hericium erinaceus with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_375molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_376molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_377molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,012,025 | CC[C@@H]1COC(=O)C[C@H]1O | This is a description of a molecule: The molecule is a natural product found in Plakortis simplex with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_234molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_235molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_236molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,012,081 | CC1([C@@H]2C[C@H]1C(=C)C(=O)C2)C | This is a description of a molecule: The molecule is a natural product found in Agastache cana, Cistus creticus, and other organisms with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_511molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_0molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_1molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3... |
10,012,195 | C/C=C\1/C2=CCCNC2=CC1=O | This is a description of a molecule: The molecule is a natural product found in Streptomyces and Streptomyces osmaniensis with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_206molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_207molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_208molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,012,225 | C/C=C/1\C=CC2[C@]13[C@H](O3)CCN2 | This is a description of a molecule: The molecule is a natural product found in Colletotrichum lagenaria with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_98molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_99molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_100molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3... |
10,012,258 | CC(=O)C1=CC[C@H]2CC[C@@H]1N2C | This is a description of a molecule: The molecule is a natural product found in Darlingia ferruginea with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_63molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0molecule#edge#1g_64molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_65molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#... |
10,012,333 | C[C@@H]1C[C@@H](C(=O)O[C@H]1C(C)C)C | This is a description of a molecule: The molecule is a natural product found in Macrocentrus cingulum with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_375molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_376molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_375molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node... |
10,012,388 | C1C[C@@H]2[C@H]([C@@H]([C@H](N2C1)CO)O)O | This is a description of a molecule: The molecule is a natural product found in Muscari armeniacum with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_53molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_54molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_55molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#... |
10,012,541 | CC(C1=CC(=CN=C1)C(=O)OC)O | This is a description of a molecule: The molecule is a natural product found in Strychnos cocculoides and Strychnos spinosa with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_393molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_394molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_395molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,012,855 | C=C/C=C(/CO)\C1=C(CCC1=O)CO | This is a description of a molecule: The molecule is a natural product found in Synechocystis with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_88molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_89molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_90molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#... |
10,012,884 | CC(CO)NC(=O)C1=CC=CC=C1O | This is a description of a molecule: The molecule is a natural product found in Streptomyces hygroscopicus with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_272molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_273molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_274molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node... |
10,012,964 | C1=COC(=C1)/C=C/C#CC#C/C=C/CO | This is a description of a molecule: The molecule is a natural product found in Atractylodes lancea with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_193molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_194molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#1molecule#edge#1#2g_195molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,012,994 | CN1C=C2C=CN=C3C2=C1C(=O)C(=C3)N | This is a description of a molecule: The molecule is a natural product found in Zyzzya fuliginosa and Zyzzya with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_136molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_137molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_138molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,013,009 | C[C@@H]([C@@H](CCCCCCCC=C)O)N | This is a description of a molecule: The molecule is a natural product found in Haliclona with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_316molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0molecule#edge#1g_317molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_318molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,013,024 | CCC(C)C(C1=C(C(OC1=O)O)C)O | This is a description of a molecule: The molecule is a natural product found in Streptomyces antibioticus with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_56molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0molecule#edge#1g_57molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_58molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#... |
10,013,144 | C1=CC=C(C(=C1)C[C@@H](C(=O)O)O)O | This is a description of a molecule: The molecule is a natural product found in Prunus cerasus with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_274molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0molecule#edge#1g_275molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_276molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,013,206 | CC(=C)[C@@H]1[C@@H](C2=C(O1)C=CC(=C2)CO)O | This is a description of a molecule: The molecule is a natural product found in Lauriliella taxodii with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_84molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_85molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_84molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#... |
10,013,364 | CCCCCCCCCCCC(=O)C=C | This is a description of a molecule: The molecule is an enone. Generate this molecule graph between <graph> </graph>: | <graph>g_145molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0molecule#edge#1g_146molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_147molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,013,505 | CC[C@H]1C(=O)NC2(S1)CCN(CC2)C | This is a description of a molecule: The molecule is a muscarinic agonist. It is developed for the treatment of Alzheimer’s disease and has shown the potential to both reduce symptoms and slow disease progression. Generate this molecule graph between <graph> </graph>: | <graph>g_3molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0molecule#edge#1g_4molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_5molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1mo... |
10,013,672 | CC[Si](CC)(CC)/C=C\CCCCl | This is a description of a molecule: The molecule is an organosilicon compound. Generate this molecule graph between <graph> </graph>: | <graph>g_428molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0molecule#edge#1g_429molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_430molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,013,724 | C/C(=C\CC1=C(C(=CC(=C1)C=O)O)O)/C=O | This is a description of a molecule: The molecule is a natural product found in Bondarzewia mesenterica and Bondarzewia montana with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_136molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_137molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_138molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,013,795 | COC1=CC(=C2C(=C1)OC(=CC2=O)CO)O | This is a description of a molecule: The molecule is a natural product found in Harrisonia perforata, Bupleurum falcatum, and Bupleurum scorzonerifolium with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_213molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0molecule#edge#1g_214molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_215molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node... |
10,013,814 | C[C@]12CCCC(/C=C/C(=O)CC[C@@H]1O2)(C)C | This is a description of a molecule: The molecule is a natural product found in Mikania hirsutissima with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_110molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_111molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_112molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,013,825 | COC(=O)C1=C[C@H]([C@@H]([C@@H]([C@@H]1Cl)O)O)O | This is a description of a molecule: The molecule is a natural product found in Periconia byssoides with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_198molecule#node#0#16molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_199molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_200molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#nod... |
10,014,060 | CN(C)CC1C2=C(CCN1)C3=CC=CC=C3N2 | This is a description of a molecule: The molecule is a natural product found in Xestospongia with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_138molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_139molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_140molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,014,072 | COC(=O)/C=C/C1=CC=C(C=C1)OCC=C=C | This is a description of a molecule: The molecule is a natural product found in Xylaria with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_25molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_26molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_27molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#... |
100,141 | CC1=C(CC2(CC1)C(=C)CC(C(C2(C)C)Br)O)Cl | This is a description of a molecule: The molecule is a natural product found in Laurencia majuscula and Laurencia dendroidea with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_354molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_355molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_356molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,014,180 | CC1=C(C(=CC=C1)C)NC(=O)[C@@H]2CCCCN2 | This is a description of a molecule: The molecule is an amino acid amide. Generate this molecule graph between <graph> </graph>: | <graph>g_23molecule#node#0#6molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_24molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_25molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#... |
10,014,185 | CCCCCC/C=C/CCC1=CC=C(C=C1)O | This is a description of a molecule: The molecule is a natural product found in Piper gibbilimbum with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_228molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_229molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_230molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node... |
10,014,270 | CC1=CC(=C(C(=C1)O)O)[C@]2(CCCC2(C)C)C | This is a description of a molecule: The molecule is a natural product found in Herbertus norenus, Herbertus dicranus, and other organisms with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_252molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0molecule#edge#1g_253molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_254molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,014,272 | C[C@H]1CC[C@H]([C@@]12CC(=C(C)C)C(=O)O2)C(=C)C | This is a description of a molecule: The molecule is a natural product found in Curcuma zedoaria and Curcuma heyneana with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_395molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_396molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_395molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node... |
10,014,356 | C[C@@]12[C@H](O1)CCC(=C)[C@H]3CC([C@@H]3C[C@@H]2O)(C)C | This is a description of a molecule: The molecule is a natural product found in Subergorgia suberosa with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_82molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0molecule#edge#1g_83molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_84molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#... |
10,014,358 | CC1=C[C@H]2[C@@H](CC[C@@]([C@H]2CC1=O)(C)O)C(C)C | This is a description of a molecule: The molecule is a natural product found in Santolina chamaecyparissus with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_353molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_354molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_355molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,014,426 | C1=CC(=CN=C1)/C=C/C2=CNC3=C2C=CC(=C3)F | This is a description of a molecule: The molecule is a fluoroindole that is 6-fluoroindole in which the hydrogen at position 3 has been replaced by a 2-(pyridin-3-yl)vinyl group (trans configuration). It is a selective inhibitor of tryptophan 2,3-dioxygenase (TDO), which directs the conversion of trypophan to kynurenin... | <graph>g_76molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_77molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_78molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#... |
10,014,667 | CC(=CCC1=C(C2=CC=CC=C2NC1=O)OC)C | This is a description of a molecule: The molecule is a natural product found in Ravenia spectabilis, Zanthoxylum zanthoxyloides, and Zanthoxylum wutaiense with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_305molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_306molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_307molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node... |
10,014,709 | COC1=CC(=CC(=C1)O)CCC2=CC=C(C=C2)O | This is a description of a molecule: The molecule is a natural product found in Dendrobium moniliforme, Pholidota chinensis, and other organisms with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_81molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_82molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_83molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#... |
10,014,817 | CC#CC1=CC=C(S1)C2=CC=C(S2)C(=O)C | This is a description of a molecule: The molecule is a natural product found in Tagetes erecta, Rhaponticum uniflorum, and Arctium lappa with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_439molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_440molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_441molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,015 | CCCCCCC(=O)CCCCCC | This is a description of a molecule: The molecule is a natural product found in Schisandra chinensis with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_138molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0molecule#edge#1g_139molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_140molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,015,003 | CC(CC1=C(COC1=O)CO)C2=CCC(C2)(C)C | This is a description of a molecule: The molecule is a natural product found in Lactarius necator, Lentinellus cochleatus, and Lactarius scrobiculatus with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_232molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_233molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_234molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,015,025 | C1=CC2=C3C(=C1)C4=CC(=C(C=C4C(=O)N3C=C2)O)O | This is a description of a molecule: The molecule is a natural product found in Ammocharis coranica, Crinum asiaticum, and other organisms with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_44molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_45molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_46molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#... |
10,015,192 | CC1=C[C@H]([C@@H]2[C@@]([C@]1(CO)O)(CCCC2(C)C)C)O | This is a description of a molecule: The molecule is a natural product found in Alternaria brassicae and Aspergillus with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_484molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0molecule#edge#1g_485molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_486molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node... |
10,015,259 | CC(=O)C1=CC2=C(O1)C(=O)C3=C(C2=O)C(=CC=C3)O | This is a description of a molecule: The molecule is a natural product found in Newbouldia laevis and Handroanthus impetiginosus with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_410molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0molecule#edge#1g_411molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_412molecule#node#0#7molecule#node#1#0molecule#node#2#5molecule#node... |
10,015,390 | C/C(=C\C[C@@]12CCN(C1NC3=CC=CC=C23)C)/CO | This is a description of a molecule: The molecule is a citraconoyl group. Generate this molecule graph between <graph> </graph>: | <graph>g_9molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#3molecule#node#4#0molecule#edge#0molecule#edge#1g_10molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_11molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1... |
10,015,450 | C1=CC(=C(C2=C1C(=O)C3=C(O2)C(=C(C=C3)O)O)O)O | This is a description of a molecule: The molecule is a natural product found in Tripterospermum lanceolatum with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_342molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_343molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_344molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,015,453 | C1=CC=C(C=C1)C(=O)OC[C@@H](/C=C\2/C=CC(=O)O2)O | This is a description of a molecule: The molecule is a natural product found in Melodorum fruticosum and Uvaria siamensis with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_33molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_34molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_35molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#... |
10,015,461 | CC1=COC2=C1[C@H]3C=C(CC[C@H](C(=C)C2)O)C(=O)O3 | This is a description of a molecule: The molecule is a natural product found in Neolitsea parvigemma with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_387molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_388molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#1molecule#edge#1#0g_389molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node... |
10,015,552 | COC1=C(C=C2C=CC(=C(C2=C1OC)C=O)O)CO | This is a description of a molecule: The molecule is a natural product found in Hibiscus syriacus with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_178molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_179molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#3molecule#edge#1#0g_180molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,015,554 | C1=CC=C2C(=C1)C(=CN2)C[C@H](C(=O)O)NCC(=O)O | This is a description of a molecule: The molecule is a natural product found in Ircinia with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_165molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0molecule#edge#1g_166molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#2molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_167molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node... |
10,015,562 | C/C/1=C\[C@@H]2[C@@H]([C@@H](C/C(=C\CC1)/C=O)O)C(=C)C(=O)O2 | This is a description of a molecule: The molecule is a natural product found in Schkuhria schkuhrioides, Helianthus annuus, and Helianthus maximiliani with data available. Generate this molecule graph between <graph> </graph>: | <graph>g_268molecule#node#0#5molecule#node#1#0molecule#node#2#5molecule#node#3#0molecule#node#4#0molecule#edge#0molecule#edge#1g_269molecule#node#0#5molecule#node#1#1molecule#node#2#5molecule#node#3#1molecule#node#4#0molecule#edge#0#0molecule#edge#1#0g_270molecule#node#0#5molecule#node#1#2molecule#node#2#5molecule#node... |
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