task
stringclasses
5 values
input
stringlengths
89
339
functional_group
### Instruction: Does the molecule contain a halide group? Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)cc1Br ### Response: Yes
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [3*]O[C@H](C)CC Fragment 2: [1*]C(=O)c1ccc([16*])cc1 ### Response: CC[C@@H](C)Oc1ccc(C(=O)NCc2cccnc2)cc1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1c(C)cccc1N1C[C@H](CC1=O)c1nc2ccccc2n1C[C@H](COc1ccccc1)O ### Response: Cc1cccc(N2C[C@@H](c3nc4ccccc4n3C[C@@H](O)COc3ccccc3)CC2=O)c1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C(N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1)C1(O)CCCC1 ### Response: 1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. C=CCn1c(=O)c2ccccc2n2nnc(C(=O)OCC)c12 ### Response: 1
functional_group
### Instruction: Does the molecule contain a ester group? CC(=O)Nc1cccc(OC(=O)Cc2ccc(F)cc2F)c1 ### Response: Yes
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? COc1cc(-c2cc(OC)c3c(C)oc(C)c3c(=O)c2)ccc1OCC(=O)c1c(C)[nH]c2ccccc12 ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1ccc(F)cc1NC(=O)N[C@@H](C)c1nnnn1-c1ccccc1 ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. [C@H](C(=O)Nc1ccc(c(F)c1)F)(C)O/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ### Response: C[C@@H](O/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(=O)Nc1ccc(F)c(F)c1
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? Cc1ccc(-n2nnnc2SCC(=O)N[C@H](C)c2cccc3ccccc23)c(C)c1 ### Response: Yes
ring_counting
### Instruction: Count the six-membered rings in the following molecule. COc1ccc(OC)c([C@H]2OC(COc3ccc4c(c3)OCO4)=NN2C(C)=O)c1 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C/C(=C/C(=O)N[C@@H](CO)c1ccccc1F)c1ccc(F)cc1F ### Response: 4
canonicalization
### Instruction: Canonicalize the following SMILES string. O=C(CS[C@H](c1ccccc1)C(=O)N)OCC ### Response: CCOC(=O)CS[C@@H](C(N)=O)c1ccccc1
functional_group
### Instruction: Does the molecule contain a aldehyde group? CNC(=O)[C@@H]1CCC[NH+](Cc2ccc(OCCN3CCOCC3)c(Cl)c2)C1 ### Response: No
ring_counting
### Instruction: Count the six-membered rings in the following molecule. COc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1C[C@](C)(OC)C1(C)C ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)c1cccc(=O)n1C Fragment 2: [5*]Nc1ccc(Cl)nn1 ### Response: Cn1c(C(=O)Nc2ccc(Cl)nn2)cccc1=O
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COC(=O)C1=C(C)C(C(=O)O[C@@H](C)C(=O)c2ccccc2)=N[C@H]1C ### Response: 1
functional_group
### Instruction: Does the molecule contain a ether group? COc1ccc(-c2cc(C(=O)NCc3nc(C)cc(C)n3)[nH]n2)cc1 ### Response: Yes
canonicalization
### Instruction: Canonicalize the following SMILES string. c1ccc(c(N2C(S/C(=C/c3ccc(O[C@@H](C(=O)[O-])C)cc3)C2=O)=S)c1)OC ### Response: COc1ccccc1N1C(=O)/C(=C\c2ccc(O[C@H](C)C(=O)[O-])cc2)SC1=S
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [8*]CN1C(=O)N[C@@]2(CCc3ccc(OC)cc32)C1=O Fragment 2: [14*]c1ncoc1[14*] ### Response: COc1ccc2c(c1)[C@@]1(CC2)NC(=O)N(Cc2ncoc2C(C)C)C1=O
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]NC[C@H](C)C#N Fragment 2: [1*]C(=O)N[5*] ### Response: COc1cc2c(cc1NC(=O)NC[C@H](C)C#N)oc1ccccc12
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1cc(C)n(-c2ccc(CC(=O)Nc3ccnn3Cc3ccc(Cl)cc3)cc2)n1 ### Response: 2
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CCc1c(C(=O)CNc2ccccc2C)[nH]c(C)c1C(C)=O ### Response: 1
functional_group
### Instruction: Does the molecule contain a halide group? CCc1nc(Cl)c(C)c(N2CC[C@H](COC)C2)n1 ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1nc(CNC(=O)c2ccccc2OC2CCN(S(C)(=O)=O)CC2)cs1 ### Response: 1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. NC(=O)c1ccc(NCCc2c[nH]c3ccc(F)cc23)nn1 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. [NH+]1(CCCSCC1)CC(=O)N1CCC[C@@H]1c1ccc(cc1)OC ### Response: COc1ccc([C@H]2CCCN2C(=O)C[NH+]2CCCSCC2)cc1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1cc(N2CC[C@@H]([NH3+])C2)nc(-c2ccc(F)cc2)n1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a ester group? Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1ccc(OC(C)C)cc1 ### Response: No
ring_counting
### Instruction: Count the six-membered rings in the following molecule. COC(=O)c1ccc(NC(=O)c2c(C)sc3ncnc(N4CCC[C@H](C)C4)c23)cc1 ### Response: 3
functional_group
### Instruction: Does the molecule contain a amine group? CN1CCN(C(=O)[C@H](N)c2ccccc2)C(C)(C)C1=O ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1cc(NC(=O)[C@@H]2CCCN(C(=O)C3=CC4=CC=N[C@H]4C=C3)C2)cc(OC)c1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cn1c(CCCCC[NH3+])nc2ccccc21 ### Response: 5
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COCCO[C@@H](C)C(=O)Oc1ccccc1C ### Response: 3
canonicalization
### Instruction: Canonicalize the following SMILES string. c1c(c(cc(c1)Cl)N1CCCC1=O)C(=O)NCc1c(cccc1)OC(F)F ### Response: O=C(NCc1ccccc1OC(F)F)c1ccc(Cl)cc1N1CCCC1=O
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? CC[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccc(F)c(C)c1 ### Response: Yes
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1ccc2ncc(NC(=O)c3ccc(Cl)cc3)c(=O)n2c1 ### Response: 3
ring_counting
### Instruction: Count the five-membered rings in the following molecule. O=C(Cn1cc(C2CC2)nn1)NC1c2ccccc2Oc2ccccc21 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [6*]C(C)=O Fragment 2: [8*]CCC(F)(F)F ### Response: CC(=O)c1cnc(CCC(F)(F)F)s1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CCN(C(=O)NCc1cc(OC)nc2ccccc12)[C@@H](C)c1cccnc1 ### Response: 3
functional_group
### Instruction: Does the molecule contain a nitrile group? Cc1ccc(C(=O)Oc2ccc(/C=C3/C(=N)N4N=C(N5CCCC5)SC4=NC3=O)cc2)cc1 ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC1=C[C@H](C(=O)N2CCC[C@@H]2C(=O)Nc2cccc(-n3cccn3)c2)N=N1 ### Response: 1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. COCCCNC(=O)Nc1cccc(C(=O)N2CCCC2)c1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a aldehyde group? Cc1nnc2ccc(N3CCOC[C@@H]3CC(C)C)nn12 ### Response: No
ring_counting
### Instruction: Count the six-membered rings in the following molecule. O=[N+]([O-])c1ccccc1Sc1nnc(C2CC2)s1 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. C(CC[NH+]1CCC[C@H](Cn2ccnn2)C1)NC(C(F)(F)F)=O ### Response: O=C(NCCC[NH+]1CCC[C@H](Cn2ccnn2)C1)C(F)(F)F
canonicalization
### Instruction: Canonicalize the following SMILES string. c1c(C(=O)OCC(=O)c2ccc(Br)cc2)cc(S(=O)(=O)N2CCOCC2)c(c1)F ### Response: O=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(Br)cc1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COCCC(=O)NC[C@@H]1CC[C@@H](C(=O)[O-])O1 ### Response: 3
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCn1c(=O)c(C(=O)CN2CCN(C(=O)c3ccco3)CC2)c(N)n(Cc2ccccc2)c1=O ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1ccc2c(c1)OCCO2 Fragment 2: [5*]N1CCC[C@H]1[13*] ### Response: O=C(Nc1ccc2c(c1)CCC2)N1CCC[C@H]1c1ccc2c(c1)OCCO2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C(Nc1onc2c1CCCC2)[C@H]1CCCN1S(=O)(=O)c1cccs1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [8*][C@H](CC(=O)[O-])[C@H](C)[NH3+] Fragment 2: [16*]c1ccccc1 ### Response: C[C@H]([NH3+])[C@@H](CC(=O)[O-])c1ccccc1
canonicalization
### Instruction: Canonicalize the following SMILES string. [NH+](C)(C[C@H]([O-])C[NH2+][C@@H](c1cc2[nH]c(=O)[nH]c2cc1)C)C ### Response: C[C@@H]([NH2+]C[C@@H]([O-])C[NH+](C)C)c1ccc2[nH]c(=O)[nH]c2c1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC(C)C[C@H](CNC(=O)c1ccn(-c2ccccc2)n1)[NH+](C)C ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)c1cnn([9*])c1 Fragment 2: [5*]Nc1ccc(F)cc1[16*] ### Response: CCOc1cc(F)ccc1NC(=O)c1cnn(-c2cccc(Cl)c2)c1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [8*][C@@H](O)c1ccccc1 Fragment 2: [5*]N1CCC([15*])CC1 ### Response: Cc1cnc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cn1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C(NCCC[NH+]1CCCCC1)C(=O)Nc1cccc(N2CCCC2=O)c1 ### Response: 3
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C([O-])[C@H]1CCCCN1C(=O)c1cn2ccccc2n1 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. C(c1c(F)cccc1F)C(N[C@@H]1CCCN(c2cn(C)nc2)C1)=O ### Response: Cn1cc(N2CCC[C@@H](NC(=O)Cc3c(F)cccc3F)C2)cn1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@@H]1C[NH2+][C@H](C)[C@H](c2ccc(Cl)cc2)O1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a nitrile group? CC[NH2+][C@H](C)[C@H](O)c1cccc(C2CC2)c1 ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Fc1ccc(F)c(C[NH+]2CCC(n3cc(-c4cccnc4)nn3)CC2)c1F ### Response: 1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. O=C(CC1CCSCC1)NC[C@H]1CCCN(c2ncccn2)C1 ### Response: 0
canonicalization
### Instruction: Canonicalize the following SMILES string. C(/C(=O)NCC(C[C@H](O)C)(C)C)=C\c1cccnc1 ### Response: C[C@@H](O)CC(C)(C)CNC(=O)/C=C/c1cccnc1
functional_group
### Instruction: Does the molecule contain a ester group? COc1cc(CN2CCN(C(=O)c3cccnc3)CC2)cc(OC)c1O ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N([5*])CC Fragment 2: [12*]S(=O)(=O)c1cn(CC)cn1 ### Response: CCN(CC1CC[NH2+]CC1)S(=O)(=O)c1cn(CC)cn1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1cc(C)n(-c2nc3c(c(=O)n(Cc4cccc(Cl)c4)c(=O)n3C)n2C(C)C)n1 ### Response: 3
canonicalization
### Instruction: Canonicalize the following SMILES string. [C@H]1(CC(Nc2ccccc21)=O)C(=O)N1c2c(ccc(Cl)c2)O[C@@H](C)C1 ### Response: C[C@H]1CN(C(=O)[C@@H]2CC(=O)Nc3ccccc32)c2cc(Cl)ccc2O1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCOc1ccc2c(c1)C[NH+](Cc1cc(C#N)cs1)CC2 ### Response: 1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1ccc(-c2[nH]ncc2/C=C(\C#N)C(=O)NC2CCCCC2)cc1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*]Cc1ccccc1CC Fragment 2: [5*]N1CCC([15*])CC1 ### Response: CCc1ccccc1CNC(=O)N1CCC(c2nc3ccccc3o2)CC1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1cc(Cl)c(cc1)NNC(Nc1c(C)n(nc1C)CC)=O ### Response: CCn1nc(C)c(NC(=O)NNc2ccccc2Cl)c1C
ring_counting
### Instruction: Count the six-membered rings in the following molecule. O=C(c1ccccc1)N1CCN(CC2=CC3=CC=N[C@H]3C=C2)CC1 ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]Nc1ccccc1F Fragment 2: [16*]c1ccccc1F ### Response: C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccccc1F
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CO[C@H]1CCC[C@@H](OC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)C1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@@H](NC(=O)C[n+]1ccc2c(c1)CCCC2)c1cccc2ccccc12 ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. C[C@@H]([NH2+]C1(CCOCC1)CNc1c(F)cccn1)c1ccccc1 ### Response: C[C@@H]([NH2+]C1(CNc2ncccc2F)CCOCC1)c1ccccc1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1ccc(N2CCn3c2nn(CC(N)=O)c(=O)c3=O)cc1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [9*]n1nc(C)n2c(cc3oc(C)cc32)c1=O Fragment 2: [1*]C(=O)C[8*] ### Response: Cc1cc2c(cc3c(=O)n(CC(=O)N[C@@H]4CCCC[C@H]4C)nc(C)n32)o1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [8*][C@H]([NH3+])[C@@H]1CCOC2(CCSCC2)C1 Fragment 2: [15*][C@@H]1CCOC2(CCSCC2)C1 ### Response: Cc1cscc1[C@H]([NH3+])[C@@H]1CCOC2(CCSCC2)C1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*]CC1(CO)COC1 Fragment 2: [8*]CCCC ### Response: CCCCn1c(SCC2(CO)COC2)nc(C)c1C
canonicalization
### Instruction: Canonicalize the following SMILES string. n1(C)cc(S(=O)(N[C@@H](C)c2oc(cc2)C)=O)cn1 ### Response: Cc1ccc([C@H](C)NS(=O)(=O)c2cnn(C)c2)o1
functional_group
### Instruction: Does the molecule contain a carboxyl group? CC(=O)c1cccc(OCc2cc(C(=O)NCc3ccn(C)c3)no2)c1 ### Response: No
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CCCCC(=O)Nc1ccc(C)cc1NC(=O)[C@H]1C=CC[NH2+]1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a halide group? CO[C@@H]1[C@H](O)[C@@H](CO)O[C@@H]1n1cnc2c(=O)[nH]c(N)nc21 ### Response: No
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1ccc(CNC(=O)c2ccc(NC(=O)C3CC3)s2)cc1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [7*]Cc1ccc([N+](=O)[O-])cc1 Fragment 2: [7*]C1SC(=S)N([10*])C1=O ### Response: CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [14*]c1nc2ccccc2n1CC Fragment 2: [8*]C[C@H](CC)[NH2+]C ### Response: CC[C@@H](Cc1nc2ccccc2n1CC)[NH2+]C
functional_group
### Instruction: Does the molecule contain a amine group? COc1cccc(/C=C/C(=O)N2CCOc3ccccc32)c1OC(F)F ### Response: No
functional_group
### Instruction: Does the molecule contain a halide group? CCNc1[nH+]n(CC(=O)Nc2ccc(C)c(F)c2)c(N)c1-c1nc(-c2ccccc2C)no1 ### Response: Yes
functional_group
### Instruction: Does the molecule contain a nitrile group? Cc1cscc1CNc1ccc(C(N)=S)cc1F ### Response: No
ring_counting
### Instruction: Count the six-membered rings in the following molecule. C[C@@H]1SCCC[C@]1(C[NH3+])N1CCC(C[NH+](C)C)CC1 ### Response: 2
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cn1cc(CNc2cccc(CC[NH+]3CCCC3)c2)c(-c2cccnc2)n1 ### Response: 2
functional_group
### Instruction: Does the molecule contain a phenol group? CCNc1ccc(S(N)(=O)=O)c(N)c1 ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. CC(n1c(nnc1)CN[C@H](Cc1sc2ccccc2n1)C)C ### Response: CC(C)n1cnnc1CN[C@@H](C)Cc1nc2ccccc2s1
functional_group
### Instruction: Does the molecule contain a sulfonyl group? C[C@@H]1CC(=O)c2cc(C(=O)Nc3ccccc3Cl)c(=O)[nH]c2C1 ### Response: No
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCOC(=O)Cn1c(N2CCCCC2)nc2nccc(-c3ccccc3)c2c1=O ### Response: 0
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1nc(-c2ccccc2)sc1C(=O)N[C@H]1C=CS(=O)(=O)C1 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. COc1cc(OCCNC(=O)Cc2c([nH]c(C)nc2C)=O)ccc1 ### Response: COc1cccc(OCCNC(=O)Cc2c(C)nc(C)[nH]c2=O)c1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1(OC)ccc(cc1NC(CSc1c2ccccc2[nH]c1)=O)Cl ### Response: COc1ccc(Cl)cc1NC(=O)CSc1c[nH]c2ccccc12