task
stringclasses
5 values
input
stringlengths
89
339
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC[C@H](CCO)C[NH2+][C@@H](C)c1sccc1C ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. [C@@H]1(CCCN(C1)C(=O)c1ccc(CC)s1)C(=O)N ### Response: CCc1ccc(C(=O)N2CCC[C@H](C(N)=O)C2)s1
functional_group
### Instruction: Does the molecule contain a hydroxyl group? C[C@H]1CC[C@@]2(CO)C(C(=O)[O-])=C[C@@H](O)C[C@@H]2[C@@]1(C)CCc1ccoc1 ### Response: Yes
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1ccc(OCCn2ccc(=O)c3cccc(OC(F)(F)F)c32)cc1 ### Response: 0
functional_group
### Instruction: Does the molecule contain a carboxyl group? C[C@H]1CN(c2ccc(NC(=O)c3ccc4[nH]cnc4c3)cc2)C[C@H](C)O1 ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. c1cc(c(cc1)S(=O)(/N=C(\[O-])[C@@H]1[C@@H](C1)OCC)=O)C ### Response: CCO[C@@H]1C[C@@H]1/C([O-])=N/S(=O)(=O)c1ccccc1C
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COC(=O)C1=C(C)C(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)=N[C@@H]1C ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@H](Cl)C(=O)N1CCN(Cc2nc(C3CC3)cs2)CC1 ### Response: 3
functional_group
### Instruction: Does the molecule contain a amide group? CNc1c(N/C(O)=[NH+]/Cc2ccc(F)cc2)c(=O)oc2ccccc12 ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. c1(CC)c(c(C)no1)NC(NCCOc1cccc(c1)OC)=O ### Response: CCc1onc(C)c1NC(=O)NCCOc1cccc(OC)c1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1cccc(OCc2nnc(SCC(N)=O)n2-c2cccc(C)c2C)c1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)C[8*] Fragment 2: [5*]N1CCNC(=O)[C@@H]1CC ### Response: CC[C@H]1C(=O)NCCN1C(=O)Cc1ccc([N+](=O)[O-])cc1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)c1cccc([16*])c1 Fragment 2: [5*]Nc1ccc([16*])c(F)c1 ### Response: COC(=O)c1ccc(NC(=O)c2cccc(-c3ccoc3)c2)cc1F
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CC(=O)Nc1ccc(S[C@H](C)C(=O)NNc2c(C)cc(C)cc2C)cc1 ### Response: 2
ring_counting
### Instruction: Count the six-membered rings in the following molecule. O=C/C=C/c1cccc(Cl)c1 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. Fc1ccc(cc1)NC(=O)CS[C@@H](C)C(NC1CCC(C)CC1)=O ### Response: CC1CCC(NC(=O)[C@H](C)SCC(=O)Nc2ccc(F)cc2)CC1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1cccc(Nc2ncccc2C(=O)Nc2ccc(Br)cc2)c1 ### Response: 1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCC(=O)Nc1ccc(C(=O)CSc2ccc(F)cc2)cc1 ### Response: 0
functional_group
### Instruction: Does the molecule contain a halide group? CC[C@@H](C)NC(=O)CN1CCN(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)CC1 ### Response: Yes
canonicalization
### Instruction: Canonicalize the following SMILES string. c1(Cn2c(n3c4c(c(n(c3n2)C(C)C)=O)ccc(C(N[C@H](C)CC)=O)c4)=O)c(cccc1F)Cl ### Response: CC[C@@H](C)NC(=O)c1ccc2c(=O)n(C(C)C)c3nn(Cc4c(F)cccc4Cl)c(=O)n3c2c1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)c1c(O)cccc1O Fragment 2: [16*]c1cnn(C)c1 ### Response: Cn1cc([C@H]2CN(C(=O)c3c(O)cccc3O)CCO2)cn1
canonicalization
### Instruction: Canonicalize the following SMILES string. O=C(Nc1c(ccc(c1)[N+]([O-])=O)C)C=C(C)C ### Response: CC(C)=CC(=O)Nc1cc([N+](=O)[O-])ccc1C
functional_group
### Instruction: Does the molecule contain a halide group? O=C(CCl)Nc1ccc(Cl)cc1/C(=N/O)c1ccccc1OC(F)(F)F ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCc1cnc(Cn2c[nH+]c(C)c2C)o1 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1ccc(CN2CCO[C@H](CC(=O)[O-])C2)cc1OC ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1cccc(-c2nc(CC(=O)N3CCCC3)cs2)c1 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1ccc(C[C@H](C)CNC(=O)C2(Br)CCC2)cc1 ### Response: 3
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COc1ccc(N)cc1-c1ccccc1 ### Response: 0
functional_group
### Instruction: Does the molecule contain a amine group? C[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NNC(=O)c1ccco1 ### Response: Yes
functional_group
### Instruction: Does the molecule contain a ketone group? CC(C)[C@@]1(CC2CCOCC2)CCC[NH2+]1 ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C(NC(=S)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)c1cc(Cl)ccc1Cl ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1ccc(F)c(Cl)c1 Fragment 2: [3*]O[C@H](F)C(=O)[O-] ### Response: O=C([O-])[C@@H](F)Oc1ccc(F)c(Cl)c1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1csc(C/C(N)=N/OCc2ccccc2)n1 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. O=[N+](c1ccc(OC(F)F)c(NC(=O)c2csc(n2)C)c1)[O-] ### Response: Cc1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cs1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [14*]c1cccs1 Fragment 2: [5*][NH+]1CCC([15*])CC1 ### Response: Cc1ccc(N2C[C@H](C(=O)NCC[NH+]3CCC(c4cccs4)CC3)CC2=O)cc1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1cc(oc1)CNC(=O)c1c(nccc1)OC ### Response: COc1ncccc1C(=O)NCc1ccco1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1cccnc1 Fragment 2: [1*]C(=O)C[8*] ### Response: O=C(Cc1csc(-c2cccnc2)n1)NCc1nnc2n1CCCCC2
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1ccc(Cl)cc1NCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1ccc(S(=O)(=O)N2CC[NH+]([C@@H](C)CCc3ccccc3)CC2)cc1 ### Response: 4
functional_group
### Instruction: Does the molecule contain a phenol group? CC[C@H](NC(=O)NCc1ccc(OC)nc1)c1cccc([N+](=O)[O-])c1 ### Response: No
functional_group
### Instruction: Does the molecule contain a halide group? O=C(NC[C@@H]1CC=CCC1)NNc1cccc(F)c1F ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1cc2ccc3ccccc3c2c2c(=O)c(=O)c12 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. CC[C@H](NS(c1ccc(C)cc1)(=O)=O)c1sccc1 ### Response: CC[C@H](NS(=O)(=O)c1ccc(C)cc1)c1cccs1
canonicalization
### Instruction: Canonicalize the following SMILES string. O(c1ccc(CNC(COC(=O)[C@@]2(C)OC(=O)c3c(C2)cccc3)=O)cc1)C ### Response: COc1ccc(CNC(=O)COC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)cc1
functional_group
### Instruction: Does the molecule contain a amine group? O=C(CCS(=O)(=O)c1ccccn1)Nc1ccc(Cl)cc1F ### Response: No
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1c(C)c(C)c(S(=O)(=O)NC2CC2)c(C)c1C ### Response: 0
functional_group
### Instruction: Does the molecule contain a carboxyl group? N#CC1=C(N)Oc2cc(OC(=O)COc3ccccc3)ccc2[C@@H]1c1cccc(Br)c1 ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. C(N(CCc1sccc1)C)(=O)N1C[C@@H]([C@H](C(=O)[O-])C1)C ### Response: C[C@H]1CN(C(=O)N(C)CCc2cccs2)C[C@H]1C(=O)[O-]
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCN[C@]1(C(N)=O)CC[C@@H]([NH+]2CC[C@H]([NH+](CC)CC)C2)C1 ### Response: 2
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CCN1C[C@H](C(=O)NCc2ccncc2)CC1=O ### Response: 1
functional_group
### Instruction: Does the molecule contain a halide group? O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1ccccc1 ### Response: Yes
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N(C)C[8*] Fragment 2: [16*]c1ccccc1Cl ### Response: Cc1nc(C(=O)N(C)Cc2ccccc2O)nn1-c1ccccc1Cl
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [8*][C@@H](O)[C@@H](C)C[NH3+] Fragment 2: [15*]C1CCC(C)CC1 ### Response: CC1CCC([C@@H](O)[C@@H](C)C[NH3+])CC1
functional_group
### Instruction: Does the molecule contain a ether group? Cc1csc([C@H](C)n2c([C@H](C)Cl)nc3c(C)nn(C)c32)n1 ### Response: No
ring_counting
### Instruction: Count the six-membered rings in the following molecule. C[C@H](CNC(=O)c1c(O)cc(Cl)cc1Cl)C[C@@H](C)O ### Response: 1
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? COc1cc(C[NH+]2[C@H](C)CC[C@H]2C)cc([N+](=O)[O-])c1O ### Response: Yes
canonicalization
### Instruction: Canonicalize the following SMILES string. c12ncccc2nc(n1CCn1nccc1)CCCl ### Response: ClCCc1nc2cccnc2n1CCn1cccn1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C(=O)N=C2S1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1ccccc1Cn1c(CNC(=O)CCc2ccccc2)nc2ccccc21 ### Response: 3
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COC[C@@H](C)[NH+]1CCN(Cc2ccc(Cl)s2)CC1 ### Response: 3
functional_group
### Instruction: Does the molecule contain a amine group? C[C@@H](CNC1CC[NH+](C2CCCCC2)CC1)[S@@](C)=O ### Response: Yes
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CC[NH+](CC)[C@](C)(CC)[C@H]([NH3+])C=C(C)C ### Response: 0
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1cc(C(=O)N2CC[C@H](C)C[C@H]2C)c2c(C)nn(C)c2n1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C(N[C@H]1CCN(c2c(F)cccc2F)C1=O)N1CCC[C@H](CCO)C1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)c1ccc(Br)s1 Fragment 2: [5*]Nc1cc(C)ccc1O ### Response: Cc1ccc(O)c(NC(=O)c2ccc(Br)s2)c1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CCC[C@@H](C(=O)Nc1nn(-c2ccccc2Cl)cc1C)[NH+](C)C ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. C1CN(C(c2c(ccc(c2)S(=O)(N(C)c2c(cccc2)OC)=O)C)=O)CC[NH+]1C ### Response: COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)N2CC[NH+](C)CC2)c1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(C)=O Fragment 2: [1*]C(=O)[C@@H](C[8*])N[5*] ### Response: COc1ccc(C[C@@H](NC(C)=O)C(=O)NC2CCN(c3c4c(nc5ncnn35)CCC4)CC2)cc1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@@H](OC(=O)Cn1nnc2ccccc21)C(=O)NCc1ccccc1 ### Response: 3
functional_group
### Instruction: Does the molecule contain a ether group? CC[NH+]1CCN(C[C@H](O)COCc2ccccc2)CC1 ### Response: Yes
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1ccc(Br)cc1 Fragment 2: [4*]CCC[8*] ### Response: Cn1cc(CCC[NH+](C)Cc2ccc(Br)cc2)cn1
functional_group
### Instruction: Does the molecule contain a sulfonyl group? Cc1nc(CNC(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)c(C)s1 ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]Nc1ccc(OC)cc1 Fragment 2: [1*]C(=O)C1CC1 ### Response: COc1ccc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)C2CC2)cc1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [13*][C@@H]1CCCO1 Fragment 2: [1*]C(=O)c1cnc([14*])s1 ### Response: CCC[C@@H](NC(=O)c1cnc([C@@H]2CCCO2)s1)c1nnn[n-]1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)C1=CCCCC1 Fragment 2: [5*]Nc1ccc([16*])cc1 ### Response: O=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCCN(C(=O)C2=CCCCC2)C1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C(C1CCC1)N1CCc2[nH]cnc2C12CC[NH+](Cc1cccc(O)c1)CC2 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1ccc(NC(=O)Cn2nc3ccc(SC(C)(C)C)nn3c2=O)cc1C ### Response: 3
canonicalization
### Instruction: Canonicalize the following SMILES string. O(C)c1cc2CCN(C(=O)CCCNC(C)=O)Cc2cc1OC ### Response: COc1cc2c(cc1OC)CN(C(=O)CCCNC(C)=O)CC2
canonicalization
### Instruction: Canonicalize the following SMILES string. c1ccccc1[C@@H]1CC(NCCN1Cc1ccc(OCC(F)F)cc1)=O ### Response: O=C1C[C@@H](c2ccccc2)N(Cc2ccc(OCC(F)F)cc2)CCN1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [12*]S(=O)(=O)CCCS(C)(=O)=O Fragment 2: [5*]N[C@H]1CCC[C@H]1C ### Response: C[C@@H]1CCC[C@@H]1NS(=O)(=O)CCCS(C)(=O)=O
canonicalization
### Instruction: Canonicalize the following SMILES string. O=C(N(C1CC1)[C@@H]1c2ccccc2CCC1)c1c(c(OC)ccc1)OC ### Response: COc1cccc(C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)c1OC
canonicalization
### Instruction: Canonicalize the following SMILES string. C([C@H](c1cccn1C)O)NC(Cc1ccc(OCC)cc1)=O ### Response: CCOc1ccc(CC(=O)NC[C@@H](O)c2cccn2C)cc1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. O=C(NC1CCCCC1)c1c(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CC[C@@H]3O2)sc2c1CCCC2 ### Response: 4
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]Nc1ccc(C[7*])cc1 Fragment 2: [3*]OCC ### Response: CCOC(=O)/C=C/c1ccc(NC(=O)N[C@@H](C)[C@H]2CCCO2)cc1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. C[NH+]1CCCN(CCC[NH2+]Cc2cc(F)ccc2Br)CC1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [15*][C@H]1CCC[C@H](C2CC2)C1 Fragment 2: [5*][NH+]1CC[C@H]([15*])C1 ### Response: NC(=O)[C@H]1CC[NH+]([C@H]2CCC[C@H](C3CC3)C2)C1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1ccc(C)c(NS(=O)(=O)c2cc3c(cc2Br)OCCO3)c1 ### Response: 3
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? C=CCn1c(C)cc(C(=O)COC(=O)c2cccc(I)c2)c1C ### Response: Yes
canonicalization
### Instruction: Canonicalize the following SMILES string. C1COCCN1Cc1ccc(cc1)CNC(=O)[C@H](C)[NH+]1[C@H](CCC1)c1ccsc1 ### Response: C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[NH+]1CCC[C@@H]1c1ccsc1
canonicalization
### Instruction: Canonicalize the following SMILES string. n1c2c(cc(c1SCC(=O)Nc1cc3OCCOc3cc1)C)cccc2 ### Response: Cc1cc2ccccc2nc1SCC(=O)Nc1ccc2c(c1)OCCO2
ring_counting
### Instruction: Count the five-membered rings in the following molecule. [NH3+]CCOc1cccc2c1OCCO2 ### Response: 0
canonicalization
### Instruction: Canonicalize the following SMILES string. c1(NC(C[C@@H]2[NH2+][C@@H]3[C@H](CCCC3)NC2=O)=O)c(C)cc(cc1)[N+]([O-])=O ### Response: Cc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H]1[NH2+][C@H]2CCCC[C@@H]2NC1=O
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCC[NH+]1CCN(C[C@@H]2CCC(C)(C)[C@@H]2[NH2+]C)CC1 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. N1(c2nc(-c3ccc(C(F)(F)F)cc3)nc(c2)CC)CC[NH2+]CC1 ### Response: CCc1cc(N2CC[NH2+]CC2)nc(-c2ccc(C(F)(F)F)cc2)n1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a phenol group? Cc1ccc(NC(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccccc4C)s3)C2)cc1Cl ### Response: No
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1nc2ccccc2n(CCCNC(=O)[C@H]2CCOc3ccccc32)c1=O ### Response: 4
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1cccc(C)c1NC(=O)[C@H]1CCCN(C(=O)NC2CC2)C1 ### Response: 0
canonicalization
### Instruction: Canonicalize the following SMILES string. C[C@H]1c2c(C[C@H]3C(N(c4c(cccc4)C(=O)NCc4occc4)C(=O)N13)=O)c1ccccc1[nH]2 ### Response: C[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(c3ccccc3C(=O)NCc3ccco3)C(=O)N21
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? CC[C@@H](C(=O)Nc1c2c(nn1-c1ccc(OC)cc1)C[S@@](=O)C2)c1ccccc1 ### Response: Yes