blc-org/A-secret-data-repo huggingface dataset:
Task: molecular description generation
molecule: Cc1cc(OC(=O)c2c(C)cc(O)cc2O)cc(Oc2cc(C)cc(O)c2O)c1
Answer: The molecule is a natural product found in Aspergillus versicolor with data available.
Task: molecular description generation
molecule: CC(=O)NC1C(O)OC(COC2OC(C)C(O)C(O)C2O)C(OC2OC(CO)C(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3OC3OC(CO)C(O)C3O)C(O)C2NC(C)=O)C1O
Answer: The molecule is a member of carbohydrates and carbohydrate derivatives.
Task: molecular description generation
molecule: CC(=O)C(O)C(=O)COP(=O)([O-])[O-]
Answer: The molecule is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
Task: molecular description generation
molecule: COc1ccc(CC2(O)COc3cc(OC)cc(O)c3C2=O)cc1
Answer: The molecule is a natural product found in Eucomis bicolor, Eucomis montana, and Albuca bracteata with data available.
Task: molecular description generation
molecule: O=C(O)Cc1ccccn1
Answer: The molecule is a member of pyridines.
Task: molecular description generation
molecule: CC(=O)OC1COC(Oc2c(O)c(C)c3c4c2C(C)CCC4C(C)CC3C=C(C)C)C(O)C1O
Answer: The molecule is a natural product found in Antillogorgia elisabethae and Pseudopterogorgia with data available.
Task: molecular description generation
molecule: CC(=O)OC1CCC2(C)C(CCC3(C)C2CC(O)C2(C)C4=C(CCC32)COC4=O)C1(C)C
Answer: The molecule is a natural product found in Hyrtios erectus with data available.
Task: molecular description generation
molecule: COc1cccc(S(=O)(=O)NC2CCC(CCN)OC2CO)c1
Answer: The molecule is a C-glycosyl compound.
Task: molecular description generation
molecule: CC(=O)OC1C(C)CC(=O)C23CCCN4CCCC2(C4)C(=O)CC13
Answer: The molecule is a natural product found in Phlegmariurus squarrosus with data available.
Task: molecular description generation
molecule: COCC(=O)N1CC2(CCN(Cc3ccccc3)CC2)c2c([nH]c3cc(OC)ccc23)C1CO
Answer: The molecule is a harmala alkaloid.
Task: molecular description generation
molecule: CC=C(C)C(=O)OC1CC2(C)OC2C(OC(C)=O)C2(C)CCC(O)(C(C)C)C12
Answer: The molecule is a natural product found in Ferula vesceritensis and Ferula communis with data available.
Task: molecular description generation
molecule: C=C(C)C#CC1=CC(=O)C2c3c(c(OC)cc(C#CC(=C)C)c3OC)COC12O
Answer: The molecule is a natural product found in Russula ochroleuca with data available.
Task: molecular description generation
molecule: CC1=CC2C(CCC3(C)OC3C3C(OC(=O)c4ccccc4)C(C)CC3(OC(=O)c3ccccc3)C1=O)C2(C)C
Answer: The molecule is a natural product found in Euphorbia micractina with data available.
Task: molecular description generation
molecule: CC=C(C(C)C)C(O)C(OC(C)=O)C(C)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3
Answer: The molecule is a natural product found in Pisolithus tinctorius and Pisolithus arhizus with data available.
Task: molecular description generation
molecule: CC1(C)CCCC2(C)C1CCC1(C)OCCC(=O)CCC12
Answer: The molecule is a natural product found in Eragrostis viscosa with data available.
Task: molecular description generation
molecule: Cc1cc(-c2ccc(N)c(C)c2)ccc1N
Answer: The molecule is a member of biphenyls.
Task: molecular description generation
molecule: O=C(O)CCCCN(CCc1ccccc1OCc1ccc(CCc2ccccc2)cc1)Cc1ccc(C(=O)O)cc1
Answer: The molecule is under investigation in clinical trial NCT01067859 (A Phase Iib Study to Investigate the Efficacy and Tolerability of Lower Doses Cinaciguat (25 ΜG/h, 10 ΜG/h) Given Intravenously to Patients With Acute Decompensated Chronic Congestive Heart Failure (ADHF)).
Task: molecular description generation
molecule: CC(=O)OC1CCC2(C)C3CCC4(C)C5C(CC4(OO)C3=CCC2C1(C)C)OC(=O)C5CC(=O)C=C(C)C
Answer: The molecule is a natural product found in Tricholoma imbricatum with data available.
Task: molecular description generation
molecule: O=C1c2c(O)cc(O)cc2OC(c2ccc(O)c(O)c2)C1OC1OCC(O)(CO)C1O
Answer: The molecule is a natural product found in Rosa davurica with data available.
Task: molecular description generation
molecule: CCCCCC=CCC=CCC=CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OCCN
Answer: The molecule is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine.
Task: molecular description generation
molecule: CC(C)=CC=C1C2=C(CC(O)C1O)C(=O)CC(C)(C)O2
Answer: The molecule is a natural product found in Pestalotiopsis fici with data available.
Task: molecular description generation
molecule: CC(C)CCCCCCCCCC(C)C(=O)OCC(O)COP(=O)([O-])OCC[N+](C)(C)C
Answer: The molecule is a natural product found in Stelletta with data available.
Task: molecular description generation
molecule: CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)CC(OC)C(C)CN(C(=O)c1ccccn1)C(C)CO2
Answer: The molecule is a lactam and an azamacrocycle.
Task: molecular description generation
molecule: CCCCCCCCCCCCCCCC(=O)OCC=Cc1ccc(O)c(OC)c1
Answer: The molecule is a natural product found in Cydonia oblonga with data available.
Task: molecular description generation
molecule: CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O.O.O.[Cl-].[Cl-].[H+].[H+]
Answer: The molecule is a hydrochloride. It has a role as an anticoronaviral agent. It contains an amodiaquine.
Task: molecular description generation
molecule: CCOC(=S)NCc1ccc(OC2OC(C)C(O)C(O)C2O)cc1
Answer: The molecule is a glycoside.
Task: molecular description generation
molecule: COc1cc(CC2C(=O)OC(c3ccc(O)c(OC)c3)C2CO)ccc1O
Answer: The molecule is a natural product found in Punica granatum with data available.
Task: molecular description generation
molecule: CC1CN(C(C)CO)C(=O)c2cc(-c3ccc(C#N)cc3)cnc2OC1CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1
Answer: The molecule is a phenylpyridine.
Task: molecular description generation
molecule: C=C1C2CCC3C(O)C2(CC(O)C2(O)C1C(O)C(O)C2(C)C)CC3(C)O
Answer: The molecule is a natural product found in Rhododendron molle with data available.
Task: molecular description generation
molecule: CC(=O)NC1NCC(C(=O)O)C(O)C1O
Answer: The molecule is a natural product found in Streptomyces nobilis with data available.
Task: molecular description generation
molecule: O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1
Answer: The molecule is a benzodioxine.
Task: molecular description generation
molecule: [Br-].[Br-].[Sr+2]
Answer: The molecule is a chemical compound of strontium and bromine. It is used in flares and also has some pharmaceutical uses. Bromine is a halogen element with the symbol Br and atomic number 35. Diatomic bromine does not occur naturally, but bromine salts can be found in crustal rock. (L625, L666)
Task: molecular description generation
molecule: O=C1CC2OC(CCO)CN12
Answer: The molecule is a natural product found in Streptomyces antibioticus with data available.
Task: molecular description generation
molecule: COC(=O)CC1C=CC(NS(=O)(=O)c2ccccc2F)C(CO)O1
Answer: The molecule is a sulfonamide.
Task: molecular description generation
molecule: O=C(CCBr)N1CCN(C(=O)CCBr)CC1
Answer: An antineoplastic agent that acts by alkylation.
Task: molecular description generation
molecule: CCn1ncc2c(OCc3ccc(C#N)cc3)cc(C)nc21
Answer: The molecule is a pyrazolopyridine.
Task: molecular description generation
molecule: CC1CCCCOC(CN(C)C(=O)CCCN(C)C)C(C)CN(C(C)CO)C(=O)c2cc(N(C)C)ccc2O1
Answer: The molecule is a lactam and an azamacrocycle.
Task: molecular description generation
molecule: C=C(C)C(=O)OC1CC2(C)OC(=CC2=O)C(C)=CC2OC(=O)C(=C)C21
Answer: The molecule is a sesquiterpenoid.
Task: molecular description generation
molecule: COC(=O)Nc1nc2ccc(C(=O)c3ccc(F)cc3)cc2[nH]1
Answer: The molecule is a member of the class of mebendazole in which the benzoyl group is replaced by a p-fluorobenzoyl group. A broad-spectrum anthelmintic, it is used, particularly in veterinary medicine, for the treatment of nematodal infections. It has a role as an antinematodal drug and a teratogenic agent. It is a member of benzimidazoles, a carbamate ester, an organofluorine compound and an aromatic ketone.
Task: molecular description generation
molecule: C=C(CCC(C)C1CCC2C3=CCC4CC(OC(=O)CCCCCCCC=CCCCCCC)CCC4(C)C3CCC21C)C(C)C
Answer: The molecule is an episterol ester obtained by formal condensation of the carboxy group of palmitoleic acid with the hydroxy group of episterol. It has a role as a Saccharomyces cerevisiae metabolite. It is functionally related to an episterol and a palmitoleic acid.
Task: molecular description generation
molecule: COC1(CCC(C)COC2OC(CO)C(O)C(O)C2O)OC2CC3C4CC=C5CC(OC6OC(CO)C(OC7OC(C)C(OC8OC(C)C(O)C(O)C8O)C(O)C7O)C(O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C
Answer: The molecule is a natural product found in Phoenix dactylifera with data available.
Task: molecular description generation
molecule: COC(=O)C=CNC(=O)c1cc2c([nH]c3c(O)cccc32)c(C(C)=O)n1
Answer: The molecule is a beta-carboline alkaloid isolated from Stellaria dichotoma var. lanceolata. It has a role as a plant metabolite. It is a beta-carboline alkaloid, an aromatic ketone, a member of phenols, an enoate ester, a methyl ester and a secondary carboxamide.
Task: molecular description generation
molecule: CN1C(=O)c2cc(NC(=O)c3ccccc3)ccc2OCC2OC(CC(=O)NC3CCCC3)CCC21
Answer: The molecule is a member of benzamides.
Task: molecular description generation
molecule: COc1cc2oc(-c3ccc(O)c(O)c3)ccc2c2ccc3cc(O)c(=O)cc3c12
Answer: The molecule is a natural product found in Sphagnum capillifolium, Sphagnum magellanicum, and other organisms with data available.
Task: molecular description generation
molecule: CC1CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC43C)C2C1(C)O
Answer: The molecule is a natural product found in Ternstroemia gymnanthera, Rhaphiolepis deflexa, and other organisms with data available.
Task: molecular description generation
molecule: CC1=C(C)C(=O)OC2(C1)OC1(O)CC3C(CC(Cl)C4(O)CC=CC(=O)C34C)C3CCC(O)(C2C)C31C
Answer: The molecule is a natural product found in Jaborosa rotacea with data available.
Task: molecular description generation
molecule: NC(CO)C(=O)N1CC(O)CC1C(=O)O
Answer: The molecule is a dipeptide.
Task: molecular description generation
molecule: O=C(Cc1cccs1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
Answer: The molecule is a sulfonamide.
Task: molecular description generation
molecule: O=C(CCc1ccccc1)NC(=S)Nc1cccc(Br)c1
Answer: The molecule is a member of thioureas.
Task: molecular description generation
molecule: Cc1cc(=O)c2c(o1)OC1(C)C(CCC3C(C)(C)C(=O)CCC31C)C2
Answer: The molecule is a natural product found in Penicillium with data available.
Task: molecular description generation
molecule: Cc1cc2n(n1)C(c1cn(-c3ccccc3)nc1C)Nc1c(C)cccc1-2
Answer: The molecule is a ring assembly and a member of pyrazoles.
Task: molecular description generation
molecule: CC1=CC2C(CCC3(C)OC3C3C(O)C(C)CC3(OC(=O)C=Cc3ccccc3)C1=O)C2(C)C
Answer: The molecule is a diterpenoid.
Task: molecular description generation
molecule: CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(O)C(C)(C)C3C(OC3OC(CO)C(O)C(O)C3OC3OC(C)C(O)C(O)C3O)CC12C
Answer: The molecule is a natural product found in Panax vietnamensis, Luffa aegyptiaca, and other organisms with data available.
Task: molecular description generation
molecule: Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1
Answer: The molecule is a member of quinolines.
Task: molecular description generation
molecule: CCCCCC(=O)NC(c1ccccc1)C(O)C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C3(C)C(=O)C(OC(C)=O)C(=C1C)C2(C)C
Answer: The molecule is a natural product found in Corylus avellana, Taxus baccata, and Taxus cuspidata with data available.
Task: molecular description generation
molecule: CC1CN(C(C)CO)C(=O)CCCn2cc(nn2)COC1CN(C)C(=O)c1cc(-c2ccccc2)on1
Answer: The molecule is an azamacrocycle and a lactam.
Task: molecular description generation
molecule: COc1ccc2c(c1)C(=O)c1ncc(OC)c3ccnc-2c13
Answer: The molecule is a natural product found in Eupomatia laurina with data available.
Task: molecular description generation
molecule: C=C(C)C(CCC(C)C1CCC2(C)C3CCC45CC(O)CCC4(C5)C3=CCC12C)C(C)C
Answer: The molecule is a natural product found in Nervilia plicata with data available.
Task: molecular description generation
molecule: CC(=O)CC(=O)C1=C(C)CC(O)CC1(C)C
Answer: The molecule is a natural product found in Prorocentrum cordatum and Prorocentrum minimum with data available.
Task: molecular description generation
molecule: CC1CC2OC(=O)C3(C)C2C(OC3(C)O)C2(C)C(=O)CC=C12
Answer: The molecule is a natural product found in Helenium amarum with data available.
Task: molecular description generation
molecule: COc1cc2c(cc1O)C(OC)CN1CC=C3C=CC(OC)CC321
Answer: The molecule is a natural product found in Erythrina lysistemon with data available.
Task: molecular description generation
molecule: O=C(CCCc1c[nH]c2ccccc12)NC(CS)C(=O)[O-]
Answer: The molecule is an N-acyl-L-alpha-amino acid anion resulting from the deprotonation of the carboxy group of N-[4-(indol-3-yl)butanoyl]-L-cysteine. The major species at pH 7.3. It is a conjugate base of a N-[4-(indol-3-yl)butanoyl]-L-cysteine.
Task: molecular description generation
molecule: CCCCCC=CCC=CCCCCCCC=C(C=O)CCCCCC=CCCCCCCCC
Answer: The molecule is a natural product found in Cladosporium with data available.
Task: molecular description generation
molecule: CCCCCCCCC=CCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC
Answer: The molecule is a wax ester obtained by the formal condensation of oleic acid and oleyl alcohol. It is functionally related to an oleic acid and a (9Z)-octadecen-1-ol.
Task: molecular description generation
molecule: CCCCCCCCCCCC=CC=CC(=O)OCC
Answer: The molecule is a fatty acid ester.
Task: molecular description generation
molecule: CC1=C2C=C(C(C)C)C(=O)CC(C)C2CC1=O
Answer: The molecule is a natural product found in Christiana africana with data available.
Task: molecular description generation
molecule: O=C(O)C(O)C(O)C(O)C(O)CO
Answer: The molecule is a natural product found in Lotus creticus, Lotus filicaulis, and other organisms with data available.
Task: molecular description generation
molecule: CC1CCC2(OC1)OC1CC3C4CC=C5CC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OC(C)C(O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C
Answer: The molecule is a natural product found in Triteleia hyacinthina with data available.
Task: molecular description generation
molecule: CC(C)=CCCC(C)C1(O)CCC2(C)CC3C(C)=CC(=O)C3C(C=O)=CCC21
Answer: The molecule is a natural product found in Bipolaris maydis with data available.
Task: molecular description generation
molecule: COc1ccc(-c2oc3c(OC)c(O)ccc3c(=O)c2OC)cc1
Answer: The molecule is a natural product found in Parkia biglobosa with data available.
Task: molecular description generation
molecule: CC(=CCCC1(C)C(O)CCC2(C)C1CCC1Cc3c([nH]c4ccccc34)C12C)C(=O)O
Answer: The molecule is a natural product found in Nodulisporium with data available.
Task: molecular description generation
molecule: O=CC(O)C(O)C(OC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C(O)CO
Answer: The molecule is a maltotetraose tetrasaccharide in which the glucose residue at the reducing end is in the aldehydo open-chain form. It has a role as an antibacterial agent and an Escherichia coli metabolite.