task
stringclasses
5 values
input
stringlengths
89
339
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=[N+]([O-])c1ccc(S(=O)(=O)Oc2ccccc2F)s1 ### Response: 0
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[NH2+][C@@H](CCc1ccc(C)cc1)Cc1c(F)cccc1F ### Response: 4
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N(C)[C@@H]1CCCC[C@H]1C Fragment 2: [1*]C(=O)CCS(=O)(=O)c1ccc(Cl)cc1 ### Response: C[C@@H]1CCCC[C@H]1N(C)C(=O)CCS(=O)(=O)c1ccc(Cl)cc1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1ccc2c(C)c(C(=O)N3CCc4ccccc43)oc2c1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? O=C(NCc1cccs1)C(=O)Nc1ccc(CCN2CCOCC2)cc1 ### Response: Yes
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]Nc1ncc([14*])s1 Fragment 2: [8*]Cc1cccc(C)c1 ### Response: CC[C@H]1SC(=S)N(CC(=O)Nc2ncc(Cc3cccc(C)c3)s2)C1=O
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1ccccc1/C=C1/C(=O)ON=C1c1ccc(Cl)cc1 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. C1CC[C@@H](O1)CN(Cc1ccccc1)C(Nc1ccc(-c2csnn2)cc1)=O ### Response: O=C(Nc1ccc(-c2csnn2)cc1)N(Cc1ccccc1)C[C@H]1CCCO1
canonicalization
### Instruction: Canonicalize the following SMILES string. C(C[C@@H](NC(=O)N1CCN(c2ccc(cc2F)C(C)=O)CC1)C)c1ccc(cc1)OC ### Response: COc1ccc(CC[C@H](C)NC(=O)N2CCN(c3ccc(C(C)=O)cc3F)CC2)cc1
functional_group
### Instruction: Does the molecule contain a halide group? CN1CC[NH+](C)C[C@H]1[C@H](O)Cc1ccncc1 ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [6*]C(=O)NNC(=O)C[8*] Fragment 2: [16*]c1ccccc1OC ### Response: COc1ccccc1CC(=O)NNC(=O)c1oc2ccc(Cl)cc2c1C
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC/C(=N\OCC(=O)Nc1ccc2c(c1)OCCCO2)C12CC3CC(CC(C3)C1)C2 ### Response: 3
functional_group
### Instruction: Does the molecule contain a amide group? Cc1ccc(CN(C)C(=O)c2cc(Br)c[nH]2)o1 ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ncccn2)cc1OCC ### Response: 3
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@](NC(=O)N[C@@H]1CCC(=O)NC1)(C(=O)[O-])C(F)(F)F ### Response: 3
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CCCN(C(=O)c1cc(C)cc(C)c1O)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)CCC[8*] Fragment 2: [16*]c1ccccc1 ### Response: C[C@@H]1CCN(C(=O)CCCc2ccccc2)C[C@@H]1O
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CCC[C@@H]([NH2+]Cc1cncn1C1CC1)C(=O)[O-] ### Response: 0
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)C[4*] Fragment 2: [11*]Sc1ccc(C#N)cc1 ### Response: C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CSc1ccc(C#N)cc1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [3*]OCCCC Fragment 2: [4*]Cc1ccccc1 ### Response: CCCCOCC(=O)N1C[C@H]2CC[C@@H]1C[NH+](Cc1ccccc1)C2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COC(=O)[C@@H](NC(=O)Nc1ccccc1)C(C)C ### Response: 4
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1ccc(F)cc1 Fragment 2: [13*][C@H]1C[NH+]=C(N)N1C ### Response: CN1C(N)=[NH+]C[C@@H]1c1ccc(F)cc1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1ccc(NC(=O)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)cc1 ### Response: 2
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC(C)(C(=O)NCCC(=O)N1CCCCC1)c1cccc(Cl)c1 ### Response: 0
functional_group
### Instruction: Does the molecule contain a nitro group? [N-]=[N+]=NC[C@H](Nc1ccc(Br)cc1)C(=O)[O-] ### Response: No
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CC[C@@H](C)N(C)C(=O)NCc1cc(OC)c(OC)cc1Br ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[NH2+]Cc1ncoc1-c1ccc(C(F)(F)F)cc1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]Nc1cccc(F)c1 Fragment 2: [1*]C(=O)CC[S@](=O)c1nncn1[9*] ### Response: CC(C)n1cnnc1[S@@](=O)CCC(=O)Nc1cccc(F)c1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1cc(Cl)c(CNC([C@H](C)NS(=O)(c2ccc(cc2)OC)=O)=O)cc1 ### Response: COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccccc2Cl)cc1
functional_group
### Instruction: Does the molecule contain a amine group? CNC(=O)[C@H]1CCCCN1C(=O)c1ccc2ccccc2n1 ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)c1ccc([16*])cc1 Fragment 2: [14*]c1nccn1C ### Response: Cn1ccnc1[C@H](NC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1)c1ccc(F)cc1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1cc(C(=O)N2CCc3nc(NC(=O)[C@@H]4CCCO4)sc3C2)cc(OC)c1OC ### Response: 1
functional_group
### Instruction: Does the molecule contain a amide group? CCOc1cc(F)ccc1NC(=O)c1cnn(-c2cccc(Cl)c2)c1 ### Response: Yes
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC(C)(C)CS(=O)(=O)N1Cc2nc[nH]c2C[C@H]1C(=O)[O-] ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N/C([S-])=[NH+]\N1CCOCC1 Fragment 2: [16*]c1cc(OC)ccc1OC ### Response: COc1ccc(OC)c(N/C([S-])=[NH+]\N2CCOCC2)c1
functional_group
### Instruction: Does the molecule contain a amide group? CCn1c2ccccc2c2cc(NC(=O)c3cccc(N4NC(=O)[C@@H]5CC=CC[C@H]5C4=O)c3)ccc21 ### Response: Yes
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CN(C(=O)Nc1cccc(N)c1)C1CC1 ### Response: 0
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Nc1ccc2c(c1)OCCO2 ### Response: 0
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC[NH+]1CCC(Cn2cc(C[NH+]3CCC[C@H](C(N)=O)C3)nn2)CC1 ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. [C@H]1(CCCN1C(=O)NCc1ccc2OCCOc2c1)c1c(C)[nH]nc1C ### Response: Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NCc1ccc2c(c1)OCCO2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCOc1ccc(CN2CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc(C)c3C)CC2)cc1 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1ccc(-c2nnn(CC(=O)N3CCCC3(C)C)n2)cc1 ### Response: 2
functional_group
### Instruction: Does the molecule contain a hydroxyl group? O=S1(=O)CC[C@H](Cc2nc(-c3ccccn3)nn2Cc2ccccc2)C1 ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1ccc(Cl)nn1 ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. C(Nc1n(Cc2ccc(C)cc2)ncc1)(=O)[C@@H](C)Oc1ccc(cc1)OC ### Response: COc1ccc(O[C@H](C)C(=O)Nc2ccnn2Cc2ccc(C)cc2)cc1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N1CCOCC1 Fragment 2: [4*]CC(=O)NN1CC(=O)N([10*])CC1=O ### Response: O=C(CN1CCOCC1)NN1CC(=O)N(c2ccc(Cl)cc2)CC1=O
canonicalization
### Instruction: Canonicalize the following SMILES string. [C@@]12(COCC1)OCC[C@H]([NH2+]Cc1ccc(OC)c(c1)Br)C2 ### Response: COc1ccc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)cc1Br
canonicalization
### Instruction: Canonicalize the following SMILES string. [NH2+](C[C@H]1[C@@H](CO)CCCC1)[C@H]([C@@H](C(=O)OC)C)C ### Response: COC(=O)[C@@H](C)[C@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1CO
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-n2cncn2)c(F)c1 ### Response: 2
ring_counting
### Instruction: Count the five-membered rings in the following molecule. O=C1NCCS[C@@H]1Cc1ccccc1 ### Response: 0
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COC(C)(C)c1noc(-c2cc(Br)cn2C(C)C)n1 ### Response: 2
functional_group
### Instruction: Does the molecule contain a amide group? CCCn1c(C)cc(-c2csc(NC(=O)c3scnc3C)n2)c1C ### Response: Yes
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCCCCC1 ### Response: 1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. C[C@H]1CSc2ccccc2N(S(=O)(=O)c2cc(S(N)(=O)=O)ccc2Cl)C1 ### Response: 2
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1ccn2c([C@H]3C[C@@H]3C(=O)[O-])nnc2c1 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. N#C[C@H]1CC[C@@H](C(C)(C)C)C[C@H]1S[C@@H](C)CC ### Response: CC[C@H](C)S[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N
canonicalization
### Instruction: Canonicalize the following SMILES string. COC(NC1CCN(S(=O)(c2ccc(C)cc2)=O)CC1)=O ### Response: COC(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. FC(F)(F)Cn1cc[nH+]c1CN1CCC[C@@H]1CN1CCOCC1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [15*]C1C(C)(C)C1(C)C Fragment 2: [5*]N1CC(CC)(CC)[NH2+]C[C@@H]1C ### Response: CCC1(CC)CN(C2C(C)(C)C2(C)C)[C@@H](C)C[NH2+]1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCOC(=O)c1coc(NC(=O)NCc2ccc(F)cc2)n1 ### Response: 2
functional_group
### Instruction: Does the molecule contain a amine group? COc1ccc(OC)c(-c2csc(Nc3cnn(C)c3)n2)c1 ### Response: Yes
canonicalization
### Instruction: Canonicalize the following SMILES string. O=c1n(c2ccccc2s1)CC(N[C@@H](Cc1c(F)cccc1F)C)=O ### Response: C[C@H](Cc1c(F)cccc1F)NC(=O)Cn1c(=O)sc2ccccc21
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N1CCN([5*])CC1 Fragment 2: [12*]S(=O)(=O)c1ccc(OC)c(F)c1 ### Response: CCc1nnc2ccc(N3CCN(S(=O)(=O)c4ccc(OC)c(F)c4)CC3)nn12
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCc1nc(C)sc1CNC(=O)c1cc(C)c(C)[nH]c1=O ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCOC1CC[NH+](CC[C@@H](O)c2ccc(C)c(F)c2)CC1 ### Response: 3
functional_group
### Instruction: Does the molecule contain a amine group? NNc1nnc(SC2CCCCC2)n1N ### Response: Yes
functional_group
### Instruction: Does the molecule contain a halide group? CC(C)[C@H](C)[NH2+][C@H](C)C(=O)N1CCN(c2ccccc2)CC1 ### Response: No
ring_counting
### Instruction: Count the six-membered rings in the following molecule. N#Cc1ccc(OC[C@@H](O)Cn2cc([N+](=O)[O-])cn2)cc1 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. [C@@H]1(CCN(C(NC[C@H]2CCCO2)=O)C1)Oc1ncc(cc1)C(F)(F)F ### Response: O=C(NC[C@H]1CCCO1)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [3*]O[C@H]1CC[C@@]([4*])([15*])C1 Fragment 2: [6*]C(N)=O ### Response: NC(=O)[C@]1([NH2+]C2CC2)CC[C@H](Oc2cc(F)cc(F)c2)C1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CC(C)OC(=O)c1ccc(Cl)c(NC(=O)NC2CC2)c1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a amide group? O=C(C1CCN(c2ccc(OC(F)F)cn2)CC1)N1CCc2ccccc21 ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC(C)C[C@H]1[C@H]2C[C@H](C)CC=C2C(C#N)=C(N)C1(C#N)C#N ### Response: 3
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1cc(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)no1 ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. C(=O)(Cc1ccccc1NC(C(N[C@H]1CCCC[C@H]1CC)=O)=O)N ### Response: CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccccc1CC(N)=O
ring_counting
### Instruction: Count the six-membered rings in the following molecule. COc1cccc(CNc2ccc(Br)cn2)c1O ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [14*]c1n[nH]c(C)n1 Fragment 2: [16*]c1ccccc1 ### Response: Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2n[nH]c(C)n2)c(C)c1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. O=C(OC[C@@H]1CC(=O)N(c2ccccc2)C1)[C@@H]1CCC[NH+]1Cc1ccccc1 ### Response: 2
functional_group
### Instruction: Does the molecule contain a nitro group? CCOC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)c([N+](=O)[O-])c1 ### Response: Yes
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CCC(=O)Nc1ccc(C)c(NC(=O)N[C@H](C)c2ccc(OC(C)C)cc2)c1 ### Response: 2
functional_group
### Instruction: Does the molecule contain a amide group? O=C(Nc1cccc(N2CCOC2=O)c1)c1ccccc1[C@H]1CC[NH2+]C1 ### Response: Yes
functional_group
### Instruction: Does the molecule contain a ester group? CC1(C)CC(NC(=O)c2sccc2S(=O)(=O)N2CCCC2)CC(C)(C)[NH2+]1 ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cc(F)cc(F)c1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*]Cc1ccc(OC)cc1 Fragment 2: [5*]NS(=O)(=O)c1cc(Br)cnc1N ### Response: COc1ccc(CNS(=O)(=O)c2cc(Br)cnc2N)cc1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1ccccc1[16*] Fragment 2: [1*]C(=O)c1cccc(OC)c1 ### Response: CCOc1ccccc1[C@H]1CC(=O)NC(NC(=O)c2cccc(OC)c2)=N1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C1CN(C(=O)CN2CCc3ccccc32)CCN1 ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. c1(c(cc(C[NH+](CCS(=O)(C)=O)C)o1)C)C[NH3+] ### Response: Cc1cc(C[NH+](C)CCS(C)(=O)=O)oc1C[NH3+]
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1nc(NC(=O)c2ccccc2Cl)sc1C(=O)N1CCOCC1 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Nc1nccs1 ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. C(OC)[C@H](NC(C(Nc1n(nc(-c2ccccc2)c1)C(C)C)=O)=O)C ### Response: COC[C@@H](C)NC(=O)C(=O)Nc1cc(-c2ccccc2)nn1C(C)C
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)c1ccc[nH]1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [3*]OCC Fragment 2: [1*]C(=O)c1cccc(OC)c1F ### Response: CCOC(=O)c1csc(NC(=O)c2cccc(OC)c2F)n1
functional_group
### Instruction: Does the molecule contain a ester group? COC(=O)N(C)CC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ### Response: Yes
functional_group
### Instruction: Does the molecule contain a ketone group? CC(=O)N[C@@H]1C(=O)C[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C ### Response: Yes
ring_counting
### Instruction: Count the six-membered rings in the following molecule. O=C1[C@@H]2CCCN2C(=O)CN1CCCCO ### Response: 1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. COCCn1c2ccccc2n2c(=O)n(CC(=O)N(C)C)nc12 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*]CCOC Fragment 2: [4*][C@H](C)c1ccnc(S[11*])c1 ### Response: CC[NH2+][C@H](C)c1ccnc(SCCOC)c1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@H](Sc1nnc(-c2cccs2)o1)C(=O)NCC(F)(F)F ### Response: 3
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C(NCCO)[C@@H]1CC(=O)N(c2n[nH]c3cc(Br)ccc23)C1 ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. [NH+]1(CCc2c(C31CCN(C(=O)Cc1n4cccc(C)c4nc1)CC3)[nH]cn2)C ### Response: Cc1cccn2c(CC(=O)N3CCC4(CC3)c3[nH]cnc3CC[NH+]4C)cnc12