task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [10*]N1CCOC1=O
Fragment 2: [15*][C@@H]1CCC[C@@H](SC)C1
### Response:
CS[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]Oc1ccc(N[5*])cc1C#N
Fragment 2: [5*]Nc1ccc([16*])c(C#N)c1
### Response:
CN1C[C@H](C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1=O |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]Cc1ccccc1Cl
Fragment 2: [7*]Cc1cnn(C[8*])c1
### Response:
N#C/C(=C\c1cnn(Cc2ccccc2Cl)c1)C(=O)NC[C@@H]1CCCO1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N/C(N)=[NH+]/CC[8*]
Fragment 2: [15*]C1CCCCCC1
### Response:
Cc1cnc(CC/[NH+]=C(\N)NC2CCCCCC2)s1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[NH+](C)[C@H](CNC(=O)c1cncc(Br)c1)c1ccco1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cc(C)n(-c2cc(N3CCC[C@@H](C(=O)N4CCCCCC4)C3)ncn2)n1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccsc1
Fragment 2: [1*]C(=O)c1cc(C)[nH]n1
### Response:
Cc1cc(C(=O)NC[C@@H]2Cc3cc(-c4ccsc4)cc(Cl)c3O2)n[nH]1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCN(/N=C/c2cc([N+](=O)[O-])ccc2Cl)CC1
Fragment 2: [4*]Cc1cccc2ccccc12
### Response:
O=[N+]([O-])c1ccc(Cl)c(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cc(C(=O)O[C@H](C)c2ccccc2N(C)C)ncn1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(C#N)cc1
Fragment 2: [14*]c1nc2ccccc2[nH]1
### Response:
CC(C)[C@H](NC(=O)COc1ccc(C#N)cc1)c1nc2ccccc2[nH]1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN(C(=O)[C@@H](C)n1nc(-c2ccc(F)cc2)ccc1=O)c1ccccc1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CC[C@@H](C)[C@](O)(c2ccc(cc2F)Cl)C1
### Response:
C[C@@H]1CCCC[C@@]1(O)c1ccc(Cl)cc1F |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1nc2n(c(c1)C)nc(C(Nc1ccc(cc1)Nc1ccccc1)=O)n2
### Response:
Cc1ccnc2nc(C(=O)Nc3ccc(Nc4ccccc4)cc3)nn12 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCn1ccc(C(=O)NCCC[NH3+])n1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCC
Fragment 2: [5*][NH+]1CCC[C@H]([C@@H]([8*])O)C1
### Response:
CCOc1ccc(C[NH+]2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1OC |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(N1CCC(NC(=O)[C@@H]([NH+](Cc2c(F)cccc2)C)C)CC1)(OCC)=O
### Response:
CCOC(=O)N1CCC(NC(=O)[C@H](C)[NH+](C)Cc2ccccc2F)CC1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cn1nnnc1SCC(=O)N[C@H](c1ccccc1)C(F)(F)F
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[NH2+]([C@H]1CCCc2c1cccc2)Cc1cc(c(c(F)c1)F)F
### Response:
Fc1cc(C[NH2+][C@H]2CCCc3ccccc32)cc(F)c1F |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C[4*]
Fragment 2: [5*]N1CCN([5*])CC1
### Response:
Cc1nc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)c2cc[nH]c2n1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(CNC(=O)c1ccoc1)Nc1cc(C(F)(F)F)c[nH]c1=O
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
C[C@H]1CCCN(S(=O)(=O)NC[C@@H](C)N2CCc3ccccc32)C1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C=CCCC[C@@H](C)[NH+](C)Cc1nc2ccccc2o1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
CCc1nnc(NNC(=O)C2CCCCC2)nc1[O-]
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CCCCc2c1ncnc2N[C@@H](CC)c1ccccc1
### Response:
CC[C@H](Nc1ncnc2c1CCCCC2)c1ccccc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [12*]S(=O)(=O)c1c[nH]c2nccc(Cl)c12
Fragment 2: [5*]N[C@H]1CCCN([5*])C1
### Response:
CC(C)C(=O)N[C@H]1CCCN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1c(C[NH2+][C@@H](C)c2ccc(Cl)s2)cnn1C
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[C@@H](CSC)N(C)C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCc2ccccc2C1
Fragment 2: [1*]C(=O)c1cccc([16*])c1
### Response:
C[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCc2ccccc2C1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cc(C)cc(CCNC(=O)c2cnc3sc(C)cn3c2=O)c1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C[NH+]1CCN(C(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc23)CC1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cccc2c1C(=O)NC2
Fragment 2: [1*]C(=O)c1ncn([9*])n1
### Response:
O=C(Nc1cccc2c1C(=O)NC2)c1ncn(-c2ccccc2)n1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC1(C)C(=O)NC(=O)CN1Cc1cccc(N)[nH+]1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(/C=N\N=C2\S[C@@H](CCO)C(N2)=O)ccc1N(C)C
### Response:
CN(C)c1ccc(/C=N\N=C2/NC(=O)[C@H](CCO)S2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCc1ncc(C(=O)NCCc2ccco2)c(C)n1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1c(F)cc(C[NH+]2C[C@H]3CC[C@@H]2CN(Cc2ccncc2)C3)cc1F
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCc2ccccc21
Fragment 2: [5*]N(C)C
### Response:
CN(C)[C@@H](C[NH2+]CC(=O)N1CCc2ccccc21)c1ccccc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)c1nn(C)c2sc(C(=O)NNC(=O)Cc3ccsc3)cc12
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](CNS(=O)(=O)c1cccc(C(N)=O)c1)c1ccsc1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(C(=O)NNC([C@@H]1C[C@H]1c1c(cccc1)F)=O)Oc1ccccc1C#N
### Response:
N#Cc1ccccc1OCC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccccc1F |
functional_group | ### Instruction:
Does the molecule contain a amine group?
O=C(c1ccnc(Cl)c1)N1CCOc2ccc(C[NH+]3CCc4ccccc4C3)cc2C1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
NC(=O)CONC(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOC(=O)Nc1scc(-c2ccc(CC)cc2)c1C(=O)OC
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1(/C(N=C(N1c1cc2c(cccc2)cc1)C)=C/c1ccc(cc1)OC(C)C)=O
### Response:
CC1=N/C(=C\c2ccc(OC(C)C)cc2)C(=O)N1c1ccc2ccccc2c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc2nc(COc3ccc(C(=O)N4CCC[C@@H](c5nc6ccccc6[nH]5)C4)cc3)cn2c1
### Response:
4 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(=O)(C(NC(CC)CC)=O)Nc1cc(ccc1)NC(CC)=O
### Response:
CCC(=O)Nc1cccc(NC(=O)C(=O)NC(CC)CC)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1ccc(CC)c(NC(=O)NC[C@H]2CCO[C@@H]2C(C)C)c1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCc4cccs4)cc3N2)cc1OC
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
CCn1c(CNC(=O)CCn2c(=O)oc3cc(Cl)ccc32)nc2ccccc21
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12cccnc1[C@@H]([C@@H]([NH2+]CC)CSC)CCC2
### Response:
CC[NH2+][C@@H](CSC)[C@H]1CCCc2cccnc21 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
Cc1cc([N+](=O)[O-])cnc1Nc1cnn(CC(=O)NCCO)c1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a ether group?
Cc1ccc(Cn2c(=O)n(C[C@@H]3CCCO3)c(=O)c3ccccc32)cc1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(Nc1c(C(=S)N)cn[nH]1)c1ccsc1
### Response:
NC(=S)c1cn[nH]c1NC(=O)c1ccsc1 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
Cc1nccn1C(=O)C1CCCCC1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCC
Fragment 2: [5*]Nc1cccc(N([5*])C)c1
### Response:
CCOC[C@@H]1CCCN(C(=O)Nc2cccc(N(C)C(C)C)c2)C1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C#CCSc1nnnn1-c1ccc(C(=O)[O-])cc1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(N(CC(=O)Nc2c(C)cc(C)cc2C)S(C)(=O)=O)cc1Cl
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
CC[C@H](C)NS(=O)(=O)c1cc(C)c(Cl)cc1C
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a amine group?
CCN(CCNC(=O)c1ccc(N2CCOC2=O)cc1)c1cccc(C)c1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CO[C@@H](C(=O)NCc1ccccc1Oc1ccccc1)c1ccccc1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(ccc1Cc1sc(nn1)NC(c1ccc(OC)nn1)=O)C
### Response:
COc1ccc(C(=O)Nc2nnc(Cc3ccc(C)cc3)s2)nn1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCc1nc(SC)ncc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCOc1ccccc1NC(=O)c1cc2c([nH]c1=O)C[C@@H](c1ccccc1)CC2=O
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1csc(S[C@H](C)C(=O)NC[C@H]2CCCO2)n1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(=N\NC1NNc2n(c3c(n2)cccc3)C=1)/c1ccc(Cl)cc1
### Response:
Clc1ccc(/C=N/NC2=Cn3c(nc4ccccc43)NN2)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Clc1ccc(C(=O)N2CSC[C@H]2C(Nc2cc3cccnc3cc2)=O)cc1
### Response:
O=C(Nc1ccc2ncccc2c1)[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCCC1
Fragment 2: [1*]C(=O)c1ccc(S(N)(=O)=O)cc1
### Response:
NS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc(-c2nc3ncnn3c(c2)N2CCC[C@H](O)C2)cc1
### Response:
O[C@H]1CCCN(c2cc(-c3ccccc3)nc3ncnn23)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@@H](C)N[5*]
Fragment 2: [5*]Nc1nnc([14*])s1
### Response:
CCC(CC)c1nnc(NC(=O)[C@@H](C)NC(N)=O)s1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](NC(=O)CSc1nc2scc(-c3cccs3)c2c(=O)n1C)c1ccc(F)cc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
O=C(c1csnn1)N1CCCCC[C@@H]1c1ccco1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)[C@H]1SCCc2sccc21
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(N[C@](C(F)(F)F)(C(=O)[O-])C)/C=C/C=C/C
### Response:
C/C=C/C=C/C(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1CN(C(=O)CCc2ccccc2)C[C@@H](C)O1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(CCC(N(C)c1ccc(-c2ccccc2)cc1)=O)S(C)(=O)=O
### Response:
CN(C(=O)CCCS(C)(=O)=O)c1ccc(-c2ccccc2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH+]1CCC(CNC(=O)C(=O)Nc2cccc3cnccc23)CC1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)/N=C1\NC(=O)/C(=C\c2ccc(N3CCC(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)S1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@H](C)CN[5*]
Fragment 2: [5*][NH+]1CCc2ccccc2C1
### Response:
COc1cc(C)c(C(=O)NC[C@@H](C)[NH+]2CCc3ccccc3C2)cc1OC |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
COc1ccc(CC(=O)N2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)c(OC)c1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CNc1cc(C[C@H](NC(=O)C(C)C)c2cccc(C)c2)nc(C2CC2)n1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CCn1c(C)csc1=O
Fragment 2: [5*][NH+]1CCC([15*])CC1
### Response:
Cc1csc(=O)n1CC[NH+]1CCC(OCc2ccccc2F)CC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCC[NH2+][C@@H](Cc1nc2ccccc2s1)c1cnn(C)c1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
COc1ccc(S(=O)(=O)[N-]c2cc(-c3n[nH]c(=O)[nH]3)cc(C(F)(F)F)c2)cc1Br
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cccc(NC(=O)c2cccn(Cc3ccccc3F)c2=O)c1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc2c(CC(N(CC)CC)=O)cn(Cc3ccc(cc3)Cl)c2cc1
### Response:
CCN(CC)C(=O)Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=S(=O)(/N=C(\[O-])c1ccsc1)N1CCCC1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
Cn1ncc(C(=O)[O-])c1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc4ccccc4c3)ccc12
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCN1C(=O)N[C@@](C)(c2ccc3c(c2)OCO3)C1=O
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(NCC1(O)CCOCC1)c1cc([N+](=O)[O-])ccc1N1CCCCC1
### Response:
0 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCN/C([S-])=[NH+]\S(=O)(=O)c1ccc(Cl)cc1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)=CCC[C@H](C)[NH2+]CC1(O)CCOCC1
### Response:
7 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)cc1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCO[C@]([13*])(C)C1
Fragment 2: [1*]C(=O)C[4*]
### Response:
CCCCS(=O)(=O)NCC(=O)N1CCO[C@@](C)(c2ccccc2)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C=CCN(CCc1ccccc1)c1c(C#N)c(=O)n(C)c(=O)n1C
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [6*]C(N)=O
Fragment 2: [4*][C@@H](C)CCCC=C
### Response:
C=CCCC[C@H](C)[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
N#C[C@H]1CN(C(=O)C2(c3ccc(F)cc3F)CCCC2)CCO1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(ccc(NC(N2[C@@H](CCC2)c2nc(no2)C2CC2)=O)c1)C(C)(C)C
### Response:
CC(C)(C)c1ccc(NC(=O)N2CCC[C@H]2c2nc(C3CC3)no2)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N(N)c1c([N+]([O-])=O)c(ncn1)Nc1ccccc1
### Response:
NNc1ncnc(Nc2ccccc2)c1[N+](=O)[O-] |
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