task
stringclasses
5 values
input
stringlengths
89
339
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1cccc(Cl)c1Cl ### Response: 1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc2ccccc2c1 ### Response: 3
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CC(C)C(=O)N[C@@H](C)c1nnc2n1CC[NH+](Cc1ccc(F)cc1)CC2 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=c1c2ccc(F)cc2ncn1CCOCCOc1ccccc1 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCCN(CCO)C(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)c1cccnc1S[11*] Fragment 2: [5*]N1CCC[C@@H](O)C1 ### Response: Cc1noc(C)c1CSc1ncccc1C(=O)N1CCC[C@@H](O)C1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCOc1ccc(CNC(=O)c2cc(-c3cccnc3)[nH]n2)cc1OC ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. C(CN(C1CCCC1)C(=O)[C@@H]1C[C@@H]1c1ccccc1OC)OC ### Response: COCCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1OC)C1CCCC1
functional_group
### Instruction: Does the molecule contain a sulfonyl group? O=S(=O)(Nc1ccc(-c2cc3ccccc3[nH]2)cc1)c1ccc(F)cc1 ### Response: Yes
functional_group
### Instruction: Does the molecule contain a halide group? Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1 ### Response: No
functional_group
### Instruction: Does the molecule contain a amine group? N#Cc1ccc(F)c(CNC(=O)c2ccnc(OCc3ccccc3)c2)c1 ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. c12ccc(OCCC(N[C@@H](c3c(C)noc3C)C)=O)cc1cccc2 ### Response: Cc1noc(C)c1[C@@H](C)NC(=O)CCOc1ccc2ccccc2c1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C(CCCC[NH+]1CCCC1)N1CCC[C@H](n2cccn2)C1 ### Response: 5
canonicalization
### Instruction: Canonicalize the following SMILES string. c1(cccc(c1)O[C@@H](C)C(N1CC(OCC1)(C)C)=O)C(C)=O ### Response: CC(=O)c1cccc(O[C@@H](C)C(=O)N2CCOC(C)(C)C2)c1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C(NCc1ccc(-n2cncn2)cc1)N1CCC[C@H]1C1CCCCC1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C(Oc1ccc2c(c1)CCC2)c1ccc(N2CCCS2(=O)=O)cc1 ### Response: 1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCc1cnc(CCNC(=O)NCc2ccc(OC)c(F)c2)s1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? CNC(=O)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCOc2cc(C)c(C)cc21 ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCn1cc(CN2CCC[NH+](Cc3ccc(F)cc3)CC2)cc1C#N ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CS[C@H](C)C[NH2+][C@H]1c2ccccc2C[C@H]1C ### Response: 3
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=S(=O)(OCC(F)(F)C(F)F)c1cc(F)ccc1F ### Response: 3
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCC[C@@](C)(CO)NC(=O)N[C@H](c1ccc(F)cc1)C1CCC1 ### Response: 5
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC[C@@H](C)CN(CC)C(=O)c1cc(Br)cnc1N ### Response: 4
functional_group
### Instruction: Does the molecule contain a sulfonyl group? CO/N=C/c1ccc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)cc1 ### Response: Yes
ring_counting
### Instruction: Count the six-membered rings in the following molecule. C=CCn1c(=O)n(CC=C)c(=O)n(CCN2C(=O)C=CC2=O)c1=O ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CN1CC[NH+](C)C[C@H]1CNC(=O)c1cnc(Oc2ccccc2)cn1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1cncc(Br)c1 ### Response: 3
functional_group
### Instruction: Does the molecule contain a nitro group? COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ### Response: Yes
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [8*]C(F)(F)F Fragment 2: [7*]CC(=O)[O-] ### Response: Cc1ccc(C(F)(F)F)cc1/C=C/C(=O)[O-]
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCC[C@@H]1C[C@@H]1NC(=O)Cc1csc(-c2cccs2)n1 ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N1CNC(=Nc2nc(C)c3cc(C)ccc3n2)NC1 Fragment 2: [15*][C@@H]1CCCC[C@H]1C ### Response: Cc1ccc2nc(N=C3NCN([C@@H]4CCCC[C@H]4C)CN3)nc(C)c2c1
canonicalization
### Instruction: Canonicalize the following SMILES string. C[NH+]1CC[C@H](N(C)C(=O)NC2CCC(CC2)CCC)[C@@H](C)C1 ### Response: CCCC1CCC(NC(=O)N(C)[C@H]2CC[NH+](C)C[C@@H]2C)CC1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1cc(ccc1-n1nc(c(c1O)/C=C1/C(=NN(C1=O)c1ccccc1)C)C)I ### Response: CC1=NN(c2ccccc2)C(=O)/C1=C\c1c(C)nn(-c2ccc(I)cc2)c1O
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [8*]C(C)(C)C Fragment 2: [1*]C(=O)C1CCN([5*])CC1 ### Response: Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCC(C(=O)Nc2nnc(-c3ccccc3)o2)CC1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. O=C(Nc1nnc(C(F)(F)F)s1)c1ncccc1C(F)(F)F ### Response: 1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. O=C(CCc1ncc(-c2ccccc2F)o1)NCCc1ccc(Cl)cc1 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1sc(NC(=O)CSc2ncnc3c(-c4ccc(F)cc4)nsc23)c(C#N)c1C ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1ccc(-c2csc(CN3CCN(C(=O)Cc4cccc(OC)c4)CC3)n2)cc1 ### Response: 2
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COc1cc([C@H](C)[NH2+]C2C[C@@H](C)O[C@H](C)C2)ccc1SC(F)F ### Response: 0
canonicalization
### Instruction: Canonicalize the following SMILES string. c1c2c(c(C(=O)NCc3cccc(OC)c3)[nH]c2ccc1C)NC(c1ccc(cc1)Cl)=O ### Response: COc1cccc(CNC(=O)c2[nH]c3ccc(C)cc3c2NC(=O)c2ccc(Cl)cc2)c1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. C/C(=N\N=C1/NC(=O)[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)S1)c1ccc([N+](=O)[O-])cc1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a nitrile group? CC(C)CN(C(=O)COc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. O(c1ccc(-c2occ(n2)C[S@](=O)Cc2onc(c2)C)cc1)C ### Response: COc1ccc(-c2nc(C[S@](=O)Cc3cc(C)no3)co2)cc1
canonicalization
### Instruction: Canonicalize the following SMILES string. [NH+](CCOC)(C)[C@H](C)C(=O)Nc1ccc(cc1)Cl ### Response: COCC[NH+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC(=O)N1CCc2cc(NC(=O)N3C[C@H](C)C[C@H](C)C3)ccc21 ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. OC(C[NH+](C)CC[NH2+]CCC)(C)C ### Response: CCC[NH2+]CC[NH+](C)CC(C)(C)O
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [14*]c1cccs1 Fragment 2: [14*]c1ccco1 ### Response: CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)c1cccs1
canonicalization
### Instruction: Canonicalize the following SMILES string. S(CC(Nc1ccc(C(=O)N)cc1)=O)c1nc2C[C@@H](C)Sc2c(n1-c1ccc(cc1)OC)=O ### Response: COc1ccc(-n2c(SCC(=O)Nc3ccc(C(N)=O)cc3)nc3c(c2=O)S[C@H](C)C3)cc1
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? Cc1cccc(N2CC[NH+]([C@@H](CC(C)C)c3nnnn3C(C)(C)C)CC2)c1C ### Response: Yes
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [3*]OC[C@@H]([8*])O Fragment 2: [16*]c1ccc(F)cc1[16*] ### Response: C[NH2+][C@@H](C)c1cc(F)ccc1OC[C@H](O)c1ccccc1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CC(C)(C)n1cc(C(=O)O[C@H](c2ccccc2)c2nccs2)cn1 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1ccc2c([nH]c(c2)S[C@@H]([C@@H](C)O)C)c1 ### Response: C[C@@H](O)[C@@H](C)Sc1cc2ccccc2[nH]1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1ccnc(Oc2cccc(CO)c2)n1 ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. c1([C@@H]2C3=C(Nc4c2c(C)no4)C[C@H](c2ccccc2)CC3=O)c(OC)c(ccc1)OC ### Response: COc1cccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3onc(C)c32)c1OC
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1cccc(Cl)c1 Fragment 2: [1*]C(=O)C([1*])=O ### Response: C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CCO2)c1cccc(Cl)c1
functional_group
### Instruction: Does the molecule contain a ether group? N#C[C@H]1CN(Cc2ccncc2)CCO1 ### Response: Yes
functional_group
### Instruction: Does the molecule contain a aldehyde group? O=C1N(CC[C@H]2CCCO2)C[C@H]2C[NH2+]CCN12 ### Response: No
ring_counting
### Instruction: Count the six-membered rings in the following molecule. O=C(NCCCn1ncccc1=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1cc2c(cc1[N+](=O)[O-])OCO2 Fragment 2: [5*][NH2+][C@H]([8*])COC ### Response: COC[C@H]([NH2+][C@H](C)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC[C@@H]1C(=O)NCCN1CN1Cc2ccc(F)cc2C1=O ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. c1cccc(c1)[C@H](C)Nc1ccc(c2cnccc12)[N+](=O)[O-] ### Response: C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1ccccc1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. C[C@@H](CC(=O)Oc1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1 ### Response: 2
functional_group
### Instruction: Does the molecule contain a halide group? CCC[NH2+][C@@H](Cc1c(F)cccc1Cl)[C@@]1(C)CCCO1 ### Response: Yes
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)[C@H]1CCCN1[5*] Fragment 2: [1*]C(=O)c1sc(C)nc1C ### Response: Cc1nc(C)c(C(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2)s1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COC(=O)[C@]1(CC(=O)N2CCOCC2)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccc(F)cc1 ### Response: 2
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COc1ccccc1[C@@H](C#N)NC(=O)c1cc2cccc(Cl)c2o1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N(C)C[8*] Fragment 2: [1*]C(=O)N([5*])C ### Response: CN(Cc1ncnn1C)C(=O)Nc1ccccc1N1CCCC1=O
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1ccc(F)cc1C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C(CNC(=O)c1ccco1)OCCN1C(=O)c2ccccc2C1=O ### Response: 2
functional_group
### Instruction: Does the molecule contain a amide group? O=C(Nc1ccc(-c2cscn2)cc1)[C@H]1CCCN(C(=O)C2=CCCCC2)C1 ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1ccc(CCNC(=O)CN2C(=O)c3cccc4cccc(c34)C2=O)cc1OC ### Response: 2
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CC(C)=CC[C@@]1(CO)CCCN(C(=O)c2csc(C[NH+](C)C)n2)C1 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. Clc1c(C[C@H](NC(CCC(NC2CCCC2)=O)=O)C)c(ccc1)Cl ### Response: C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)CCC(=O)NC1CCCC1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1ccccc1 Fragment 2: [1*]C(=O)c1nn([9*])c2c1Cc1cc(OC)c(OC)cc1-2 ### Response: COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3nc(C)c(C)s3)nn1-c1ccccc1)C2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [8*]CC(=O)OC Fragment 2: [1*]C(=O)c1cc(F)cc2cccnc12 ### Response: COC(=O)C[C@@H]1CCCCN1C(=O)c1cc(F)cc2cccnc12
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? C[C@@H](c1nnc(SCC(=O)N2CCCC2=O)n1-c1ccc(F)cc1)[NH+]1CCCCC1 ### Response: Yes
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)[C@@H](C)O[3*] Fragment 2: [5*]N1CCN([5*])CC1 ### Response: C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2cccc[nH+]2)CC1
canonicalization
### Instruction: Canonicalize the following SMILES string. [C@H]1(CCC=CC1)NC(=O)N[C@H]1C(N(CCC1)c1ccccc1)=O ### Response: O=C(N[C@H]1CC=CCC1)N[C@@H]1CCCN(c2ccccc2)C1=O
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1cccc([C@H](C(=O)NCCCn2cc(Cl)cn2)N(C)C)c1 ### Response: 3
canonicalization
### Instruction: Canonicalize the following SMILES string. [C@@H](C(=O)Nc1cc(S(=O)(=O)N)ccc1)(Sc1ncnc2c1ccs2)C ### Response: C[C@@H](Sc1ncnc2sccc12)C(=O)Nc1cccc(S(N)(=O)=O)c1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C/C(=N\Nc1ncnc2sc(C)c(C)c12)c1cccc(OC(F)F)c1 ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. C1C([C@](C(OC)=O)(C)NCc2noc(C(C)(C)C)n2)C1 ### Response: COC(=O)[C@@](C)(NCc1noc(C(C)(C)C)n1)C1CC1
canonicalization
### Instruction: Canonicalize the following SMILES string. s1c([C@@H]2N(CCc3c2ccs3)C(c2oc3c(cc(F)cc3)c2C)=O)ccc1 ### Response: Cc1c(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)oc2ccc(F)cc12
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CC(C)c1ccc2c(c1)[C@@H]([NH2+]CC/N=C(\O)c1ncccc1O)CCC2 ### Response: 3
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COC(=O)c1coc(CN2Cc3ccccc3C[C@H]2C(=O)NC(C)(C)C)n1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [9*]n1cccc1[14*] Fragment 2: [16*]c1ccc(F)c(Br)c1 ### Response: O=C(Cn1cccc1-c1nc(-c2ccc(F)c(Br)c2)no1)NCc1ccccc1F
canonicalization
### Instruction: Canonicalize the following SMILES string. c1cccc(c1OC)N1CC[NH+](CC1)C/C([O-])=N/c1nnc(s1)C1CC1 ### Response: COc1ccccc1N1CC[NH+](C/C([O-])=N/c2nnc(C3CC3)s2)CC1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1ccncc1 Fragment 2: [5*]N(C)C ### Response: Cc1c(C(=O)Nc2cncnc2N(C)C)cnn1-c1ccncc1
functional_group
### Instruction: Does the molecule contain a amide group? O=C(Nc1cncc2ccccc12)N[C@@H]1CCCc2occc21 ### Response: Yes
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1cc([C@H](O)Cc2ccc(Br)s2)c2ccccc2n1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*]Cc1ccc(Cl)c(F)c1 Fragment 2: [14*]c1nnc(C)o1 ### Response: Cc1nnc([C@H]2Cc3ccccc3CN2Cc2ccc(Cl)c(F)c2)o1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1(c(CNCCc2ccc(cc2F)F)cccc1)-n1nccc1 ### Response: Fc1ccc(CCNCc2ccccc2-n2cccn2)c(F)c1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1cccc([C@H]2CCCC[NH+]2Cc2noc(C3CC3)n2)c1C ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C([C@H]1Cc2ccccc2S1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ### Response: 1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. C[NH+](CCc1cccs1)CC(C)(C)C=O ### Response: 1
functional_group
### Instruction: Does the molecule contain a amine group? O=C(NC[C@@H](O)c1ccccc1Cl)c1cc([N+](=O)[O-])ccc1Cl ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C(CNS(=O)(=O)CCC1CC1)Nc1cccnc1 ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. Cc1cc(c(o1)C)C(=O)NNC(=O)Cc1ccc(cc1)[N+](=O)[O-] ### Response: Cc1cc(C(=O)NNC(=O)Cc2ccc([N+](=O)[O-])cc2)c(C)o1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COCCCN(C)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1 ### Response: 3
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1nc(COc2cccc(C(=O)N3CCCS3(=O)=O)c2)cs1 ### Response: 1