task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCCNC(=O)c1sc(C)nc1C
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1ccncc1Oc1ccc(C[NH+](C[C@@H]2COCC2)C)cc1
### Response:
C[NH+](Cc1ccc(Oc2cnccn2)cc1)C[C@H]1CCOC1 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
Oc1ccc(Br)cc1/C=N/c1cccc(F)c1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ncn2c1C(=O)N([10*])[C@@](C)(C([1*])=O)C2
Fragment 2: [5*]NCc1cccc(F)c1
### Response:
CCCN1C(=O)c2c(C(=O)NCc3cccc(F)c3)ncn2C[C@]1(C)C(=O)NC1CCCC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CC(=O)[O-]
Fragment 2: [3*]OCC(=O)[O-]
### Response:
Cc1nc2ccc(OCC(=O)[O-])cc2c(=O)n1-c1ccc2c(c1)OCO2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H](c1ccc(F)cc1)N1Cc2cc(NC(=O)COc3ccccc3)ccc2OCC1=O
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=[N+]([O-])c1ccc2c(c1)CCC2
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [6*]C(=O)c1ccco1
Fragment 2: [14*]c1ccco1
### Response:
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=Cc3ccccc3N1[C@H]2C(=O)c1ccco1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1c([C@H]2CCC[NH+]2Cc2cc(C(F)(F)F)ccc2F)cnn1C
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
C[C@@H]1Cc2ccccc2N1S(=O)(=O)Cc1ccc(Br)cc1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(C)C[C@@H](C)C(NCc1c(C)cccc1)=O
### Response:
CCC[C@@H](C)C(=O)NCc1ccccc1C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(sc(C(=O)NCCc2ncnn2C)c(OC)c1Br)C
### Response:
COc1c(C(=O)NCCc2ncnn2C)sc(C)c1Br |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H](Sc1cccc[n+]1[O-])C(=O)NC[C@H]1COc2ccccc2O1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1(C)ccnc1[C@@H]([C@H]1CCC[NH+](C1)Cc1cc(ccc1)-c1cccnc1)O
### Response:
Cn1ccnc1[C@H](O)[C@H]1CCC[NH+](Cc2cccc(-c3cccnc3)c2)C1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1sc2nc(CS[C@H](C)C(=O)N(Cc3ccccn3)c3ccc(F)cc3)[nH]c(=O)c2c1C
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@H]([8*])Cc1ccc(C)cc1
Fragment 2: [1*]C(=O)N([5*])C
### Response:
Cc1ccc(C[C@H](NC(=O)N(C)C[C@@H](C)O)c2ccccn2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
Cc1ccc(N/C([S-])=[NH+]/Cc2ccccc2)cc1[N+](=O)[O-]
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@H]1Cc2ccccc2N1CCNC(=O)Cc1cc(Cl)c2c(c1)OCCO2
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1nc(NC(=O)CCc2cc(F)ccc2F)sc1-c1nnc([S-])n1C
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(Cl)cc1NC(=O)c1sc2nc(-c3cccnc3)ccc2c1N
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Clc1ccnc(-c2cccc(C3CC3)c2)n1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(CN2CCOC3(CCC3)C2)c(C)c1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cccc(CNC(=O)Cc2cccc(F)c2F)c1O
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
S(CC(N(C)C1=CCCC1)=O)c1oc(-c2ccc(C)cc2)nn1
### Response:
Cc1ccc(-c2nnc(SCC(=O)N(C)C3=CCCC3)o2)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCC(=O)Oc1cccc2ccc(/C=C/c3ccccc3[N+](=O)[O-])nc12
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
O=C(OC[C@@H]1CN(Cc2ccccc2)CCO1)c1ccncc1Cl
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1
Fragment 2: [14*]c1nc2ccccn2c1[N+](=O)[O-]
### Response:
O=[N+]([O-])c1c(-c2ccccc2)nc2ccccn12 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc([16*])cc1
Fragment 2: [1*]C(=O)c1ccccc1[N+](=O)[O-]
### Response:
CC(C)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CCOc1cccc(C(=O)c2c(C)c(C#N)c(=O)n(C)c2[O-])c1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1ccc(/C=C2\Cc3c(O)cccc3C2=O)cc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
CC[C@@H](C)[C@@H](NC(=O)c1cccc(F)c1)C(=O)N=c1[nH]c2ccccc2[nH]1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccccc3)c2)cc1Br
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)CONc1ncnc2sc3c(c12)CCC3
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*]C1CCCCC1
Fragment 2: [5*]NC1CCCCC1
### Response:
CCN(C(=O)CNC(=O)NC1CCCCC1)c1cc(C)ccc1C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(ccc(OC)c1)[C@H]1[C@H](C(=O)NCc2cccnc2)CCC(N1C)=O
### Response:
COc1ccc([C@H]2[C@H](C(=O)NCc3cccnc3)CCC(=O)N2C)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC[C@H](NC(=O)Nc1nc(C(C)C)nn1C)c1ccc(F)cc1F
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H]1OCC[C@@H]1N[C@H](c1cccnc1)c1cccc(C(F)(F)F)c1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@@H](C)C[NH+](CC)CC(=O)c1cccc(Cl)c1
### Response:
4 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC1CCN(C(=O)C[NH+]2C[C@@H](C)CC[C@@H]2C)CC1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
CC(C)Oc1ccc(NC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1c(C(=O)NCCNC(=O)c2cccnc2)cnn1-c1ccncc1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]CCC1=C[C@H](O)OC1=O
Fragment 2: [15*][C@@]1(C)[C@H](C)C[C@@H](O)[C@@]2(C)C(C(=O)[O-])=CCC[C@H]12
### Response:
C[C@@H]1C[C@@H](O)[C@@]2(C)C(C(=O)[O-])=CCC[C@@H]2[C@@]1(C)CCC1=C[C@H](O)OC1=O |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COC(=O)[C@@H]1CCN(C(=O)[C@H]2CCSC2)C1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1csc(C[NH+]2CCC[C@@H]2CC(C)(C)C)n1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)N(C)C(=O)C1CCN(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCC1([15*])CCOCC1
Fragment 2: [1*]C(=O)[C@H]1CC(=O)N([10*])C1
### Response:
COc1ccc(C2(CNC(=O)[C@H]3CC(=O)N(c4ccc(C)cc4)C3)CCOCC2)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(N(Cc1sccc1)CC)(=O)N[C@@H](C)c1cc(c(cc1C)OC)OC
### Response:
CCN(Cc1cccs1)C(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C([C@@H]1[C@H](CN(C(=O)c2ncsc2)C1)c1ccc(cc1)F)OC
### Response:
COC(=O)[C@H]1CN(C(=O)c2cscn2)C[C@@H]1c1ccc(F)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[NH2+]CCC[C@@H]1NCc1c(C)n(C)nc1C
### Response:
Cc1nn(C)c(C)c1CN[C@H]1CCC[NH2+]C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1nn(C)cc1CNC(=O)c1cc(C)nc2ccc(OC)cc12
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
Clc1cccc(Cl)c1-c1cnc(C[NH2+]Cc2cccs2)s1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C(=O)N/N=C/c1c(C)cc(C)cc1C
Fragment 2: [5*]Nc1ccc([16*])cc1
### Response:
Cc1cc(C)c(/C=N/NC(=O)C(=O)Nc2ccc(C(=O)[O-])cc2)c(C)c1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCCC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(C)cc2)CC1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a amide group?
O=C(/C=C\c1cccs1)O[C@@H](c1ccccc1)c1ccccn1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[N+]([O-])(c1cc(ccc1C)NC(=O)N(Cc1occc1)C[C@@H]1OCCC1)=O
### Response:
Cc1ccc(NC(=O)N(Cc2ccco2)C[C@H]2CCCO2)cc1[N+](=O)[O-] |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
C[NH+](CCCO)C1CCN(Cc2c[nH]c[nH+]2)CC1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(CN(C)C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)cc1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[C@H](C)CCc2c1sc1nc([nH]c(c12)=O)[C@@H](N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)C
### Response:
C[C@@H]1CCc2c(sc3nc([C@H](C)N4CCN(C(=O)[C@@H]5COc6ccccc6O5)CC4)[nH]c(=O)c23)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=c1n(c2c(n(cn2)CC(Nc2cc(F)ccc2)=O)c(n1C)=O)C
### Response:
Cn1c(=O)c2c(ncn2CC(=O)Nc2cccc(F)c2)n(C)c1=O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(-n2c(C)c(C)n3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
CCC(CC)[C@H](CNC(=O)c1cnc2c(C)cccn2c1=O)[NH+](C)C
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc2c(c1)OCCO2
Fragment 2: [1*]C(=O)c1ccc(S(=O)(=O)N([5*])C)cc1
### Response:
CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)o2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]Cc1ccc(F)cc1
Fragment 2: [5*][NH+]1CC[C@H]2[C@H](CCC(=O)N2[10*])C1
### Response:
CC(C)C[NH+]1CC[C@H]2[C@H](CCC(=O)N2Cc2ccc(F)cc2)C1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cccnc1NC(=O)[C@H]1CCCN(c2cnc3ccccc3n2)C1
### Response:
4 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1ccccc1[C@@H](C)NC(=O)c1cc(-c2ccncc2)nc2ccccc12
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(OCCNC(=O)/C=C/c2cccc(F)c2)cc1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc([C@H](C)NC(Cn2cncc2)=O)ccc1-c1ccccc1
### Response:
C[C@H](NC(=O)Cn1ccnc1)c1ccc(-c2ccccc2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)N[C@@H](C)c3ccc(C)o3)C2)c1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1c(cc(C)nc1-n1c(NC(c2c(nc(cc2)Cl)Cl)=O)cc(C)n1)C
### Response:
Cc1cc(C)nc(-n2nc(C)cc2NC(=O)c2ccc(Cl)nc2Cl)n1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn34)=C([O-])C(=O)N2CCN2CCOCC2)cc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(CN1CC[NH+](CC1)Cc1cccc2cccnc12)(Nc1ccc(cc1)C(N(C)C)=O)=O
### Response:
CN(C)C(=O)c1ccc(NC(=O)CN2CC[NH+](Cc3cccc4cccnc34)CC2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
CC[C@@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1[NH2+]Cc1cccc(C#N)c1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[C@@]2(CC3C[C@]1(CC(C2)([C@H](O)CC=C)C3)C)C
### Response:
C=CC[C@@H](O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC1(C)CCCC[C@]1(Cc1cc(ccc1OC)Br)O
### Response:
COc1ccc(Br)cc1C[C@]1(O)CCCCC1(C)C |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
NC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)sc2c1CCC2
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Fc1ccc(/C=C/CN2CCO[C@@H](c3ccsc3)C2)cc1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1c(C)[nH]c2ccccc12
Fragment 2: [5*]NC1CC1
### Response:
Cc1[nH]c2ccccc2c1C1CC[NH+](CC(=O)NC2CC2)CC1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H]1C[C@H](C)CN(S(=O)(=O)NCCc2nccn2Cc2ccccc2)C1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C[C@@H](NCC1(c2ccc(F)cc2)CC1)c1ccc(S(N)(=O)=O)cc1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(C(=O)N2CCn3c(C)nnc3C2)c(C)n1Cc1ccco1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCOC(=O)C1(NCc2nnc(-c3cc(C)oc3C)o2)CCCC1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1cccnc1[14*]
Fragment 2: [3*]OCC
### Response:
CCOc1ncccc1CNC(=O)NCCc1nnc2n1CCC2 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
CC(C)CCOc1ccc(NC(=O)c2nccnc2N)cc1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
O=C1NC2=C(C(=O)N(Cc3ccc(F)cc3)C2)[C@H](c2ccccc2F)N1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCc1nn(C)cc1CNC[C@@H](c1ccc(C)o1)N1CCOCC1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)CS(=O)(=O)CC
Fragment 2: [5*]N1CCC2(CC1)c1nc[nH]c1CCN2[5*]
### Response:
CCS(=O)(=O)CC(=O)N1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1ccc2ccc(OC)cc2c1=O
Fragment 2: [4*]CCC[8*]
### Response:
COc1ccc2ccn(CCCOc3ccc([N+](=O)[O-])cc3)c(=O)c2c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOCc1ccccc1NC(=O)c1ccc(-c2cscn2)cc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C1NC2(CCC(C)CC2)C(=O)N1NC(=O)CCC1=c2ccccc2=[NH+]C1
### Response:
CC1CCC2(CC1)NC(=O)N(NC(=O)CCC1=c3ccccc3=[NH+]C1)C2=O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[NH2+][C@H](c1ccc(F)cc1C)[C@@H]1CN(CC)CCO1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@]1(CC[NH+](C1)Cc1c(F)cccc1F)(C(F)(F)F)O
### Response:
O[C@]1(C(F)(F)F)CC[NH+](Cc2c(F)cccc2F)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C[C@H]1CSc2ncc(C)c(=O)n21
Fragment 2: [5*]N1CCCc2ccccc21
### Response:
Cc1cnc2n(c1=O)[C@@H](CC(=O)N1CCCc3ccccc31)CS2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+]1CCCC[C@H]1C[8*]
Fragment 2: [8*]Cc1ccccc1
### Response:
Cc1cnc(C[NH+]2CCCC[C@H]2Cc2ccccc2)o1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)OCC
Fragment 2: [1*]C(=O)N[C@@H]1CC2(CCCCC2)Oc2ccccc21
### Response:
CCOC(=O)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(NCc1cnn(-c2ccccc2)c1)N[C@H]1CCCc2ccccc21
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CC[S@@](=O)C(C)(C)C2)c1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@@H](C)N[5*]
Fragment 2: [1*]C(=O)N1CCN([5*])CC1
### Response:
COc1cccc(CNC(=O)[C@@H](C)NC(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C[C@H](NC(=O)N(C)Cc1cnccn1)c1cccc(-n2ccnc2)c1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a ether group?
COC1CCC(CC(=O)NC[C@H](C)c2nc(-c3ccccc3)no2)CC1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(/C=c2\s/c(=C(/C#N)c3nnc4n3CCCCC4)n(-c3ccccc3)c2=O)cc1OC
### Response:
2 |
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