task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1nc([C@@H](C)NC(=O)N2C[C@H](c3ccccc3C)OC[C@@H]2C)cs1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(C(C)C)nn(c(C(=O)NC[C@@H](Oc2ccc(cc2)C)C)c1)CC
### Response:
CCn1nc(C(C)C)cc1C(=O)NC[C@H](C)Oc1ccc(C)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(NCCC(F)(F)F)c1n[nH]c2ccccc12
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCOC[C@H]1[13*]
Fragment 2: [1*]C(=O)C[4*]
### Response:
Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCOC[C@H]2C2CC2)n1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1OCCN(Cc2ccsc2)[C@@H]1C
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(OC)c(NC(=O)CS[C@H]2N=C3N=NC(C)=C3C(=N)N2c2ccc(C)c(Cl)c2)c1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCCc1ccc(C(=O)NC[C@]2(O)CCSC2)cc1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CNC(=S)NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1OC
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccccc4O)CC3=O)Nc3ncnn32)cc1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1cc2c(cc1OC)CN(Cc1ccccc1Cl)CC2
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1N(C(=O)[C@@H]2CCCN2C(OC(C)(C)C)=O)CCC(C1)OC
### Response:
COC1CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(C)n2c(CN(Cc3cccc(F)c3)C[C@@H]3CCCO3)cnc2n1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
c1ccc(N2CC[C@H](C[NH2+]Cc3cc[nH]c3)C2)cc1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1cccs1
Fragment 2: [4*][C@@H](CC)CSC
### Response:
CC[C@@H](CSC)[NH+](C)Cn1nc(-c2cccs2)[nH]c1=S |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)CC[4*]
Fragment 2: [5*]N1CCC[C@H]([15*])C1
### Response:
C[C@H]1CCc2ccccc2N1CCC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
N#Cc1ccccc1NC(=O)COC(=O)c1ccc(C(=O)c2ccccc2)cc1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
Cc1nonc1C[C@@]1(C(=O)[O-])CCC[NH2+]C1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=C(Cc1ccccc1)Nc1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CCC[NH2+][C@H](Cc1ccc(C)cn1)c1cc(Cl)ccc1F
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1c(C)cccc1C
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC1=C(CC(=O)NCCC2=c3ccccc3=[NH+]C2)[C@@H](C)N(C)N1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1cccs1
Fragment 2: [5*]N[C@H](C)C[8*]
### Response:
C[C@H](Cc1cccs1)NC(=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@]12CC/C(=N\NC(N)=S)C[C@@H]1CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(CC(=O)NCc3ccccc3F)CC2)C1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccccc1CSc1nnc(C(C)(C)C)n1N
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
N#C[C@@H](NC(=O)c1cn(Cc2cccnc2)nn1)c1cccc(Cl)c1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C1CCN([C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)CC1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1
Fragment 2: [8*]CCN1C(=O)C[C@H]([15*])C1=O
### Response:
NC(=O)CN1CCN([C@H]2CC(=O)N(CCc3ccccc3)C2=O)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCC(CC)[NH+](CC(C)C)C[C@H]1Cc2ccccc2CN1
### Response:
5 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1C[C@@H](C)O[C@H](C)C1
Fragment 2: [3*]OCC
### Response:
CCOc1ccc(C(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)cn1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
CO[C@H](C)C(=O)Nc1cccc(C(=O)N(C)C)c1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccc(C=O)[nH]1
Fragment 2: [5*]N1CCC[C@@H](C)C1
### Response:
C[C@@H]1CCCN(C(=O)c2ccc(C=O)[nH]2)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(C(=O)OCC(=O)N[C@@H](C)C(C)C)c(F)c1
### Response:
4 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCn1c2ccccc2c2cc(NC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)ccc21
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1(c2c([C@@H](c3ccc([N+](=O)[O-])cc3)N1c1ncc(C)cc1)c(=O)c1cc(ccc1o2)C)=O
### Response:
Cc1ccc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc([N+](=O)[O-])cc2)nc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH2+][C@@H]1CCN([5*])C1
Fragment 2: [4*][C@@H](C)CC[8*]
### Response:
CC(=O)N1CC[C@@H]([NH2+][C@@H](C)CCC2CCCC2)C1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
C[C@H]1COC2(CCN(Cc3cc4ccccc4s3)CC2)O1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[C@@H](Nc1cc(C)ccc1N)c1cccs1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(CNC(=O)NC[C@H](C)c2ccsc2)cc1NC(C)=O
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(Cn1c(=O)c2ccccc2n2nnc(-c3ccccc3)c12)Nc1ccccc1
### Response:
4 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(Nc1ccc(Br)cn1)[C@H]1CCCc2ccccc21
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
COc1ccc(NC(=O)Cc2cccc(F)c2)cc1OC1CCCC1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc2c(ccc(c2n1)OC(F)F)NC(Cc1cc(on1)C)=O
### Response:
Cc1cc(CC(=O)Nc2ccc(OC(F)F)c3ncccc23)no1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [11*]Sc1nnc([14*])n1N
Fragment 2: [8*]C(C)(C)C
### Response:
CC(C)(C)c1nnc(SCc2coc(-c3ccc(F)c(F)c3)n2)n1N |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(NC(=O)N2CCOC[C@H]2C2CC2)c(OC[C@@H]2CCCO2)c1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCn1c(SCC(=O)N(C)C2CCOCC2)nnc1-c1ccco1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc2c(c1)OCO2
Fragment 2: [10*]N1C(=O)c2ccccc2S1(=O)=O
### Response:
Cc1cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c(C)n1-c1ccc2c(c1)OCO2 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CNc1ccc(CN2C[C@H](O)C[C@H]2C(=O)OC)cc1[N+](=O)[O-]
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1cc(CN2CCN(S(=O)(=O)c3cccc(-n4cnnn4)c3)CC2)no1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a amine group?
Cc1nnc2n1CCC[C@@H]2[NH2+]Cc1cccc(OCc2ccccc2F)c1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(Oc1ccc(Cl)cc1[C@@H](N[C@@H]1CCCn2c1nc(n2)C)C)(F)F
### Response:
Cc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1cc(Cl)ccc1OC(F)F |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
O=C(OCc1nnsc1Cl)c1cccc(N2CCCS2(=O)=O)c1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
FC(F)COc1ccc(CN2CC[NH+](C[C@H]3CCOC3)CC2)cc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1nc(CCC(F)(F)F)[nH]c(=O)c1CCC(=O)[O-]
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCOc1ccc(CC(=O)NC[C@@H](O)c2cccn2C)cc1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a ether group?
C1C[C@H](C2CC2)C[C@H]([NH+]2CC[C@]3(CCOC3)C2)C1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(c(F)c(ccc1)C(NC(C)(C)CO)=O)C(F)(F)F
### Response:
CC(C)(CO)NC(=O)c1cccc(C(F)(F)F)c1F |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
Cc1ccccc1[C@@H](C)NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOc1ccccc1-c1cccc(C(=O)N(C)CCC(F)(F)F)c1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(CCc1ccccc1)NNC(=S)NC(=O)C1CC1
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
C[C@H](NC(=O)N[C@H](C)c1ccc(Cl)s1)c1nnc2n1CCC2
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCCC[8*]
Fragment 2: [1*]C(=O)c1cc([16*])c(C)s1
### Response:
CCCc1cc(C(=O)NCCCN2CCCCCC2=O)sc1C |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC[C@@H](C)[C@H](C(=O)NC[C@](C)(O)C(C)C)c1ccccc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
Cc1c(F)cccc1NC(=O)NCc1cnn(-c2ccccc2)c1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@@H](C)C[NH2+][5*]
Fragment 2: [3*]Oc1cccnc1C
### Response:
CCC[C@@H](C)[NH2+]C[C@H](C)Oc1cccnc1C |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(NCC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc(Br)o1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(N1CC(=CC(=O)N[C@H](c2ccc(C)s2)C)C1)(OC(C)(C)C)=O
### Response:
Cc1ccc([C@H](C)NC(=O)C=C2CN(C(=O)OC(C)(C)C)C2)s1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccccc1[C@@H](NC[C@](C)(O)c1cnn(C)c1)C1CC1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(NC(C(C)(C)C)=O)cc2N(S(=O)(c3ccccc3)=O)CCCc2cc1
### Response:
CC(C)(C)C(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC[NH+](Cc1ccncc1)[C@@H]1CCCN(C/C(Cl)=C/c2ccccc2)C1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
O=S(=O)(c1ccc(Cl)s1)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc2cc([C@@H]([NH3+])CO)ccc2c1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(NC(NC[C@@H](O)c2ccc3c(c2)cccc3)=O)c(cc1)COC
### Response:
COCc1ccccc1NC(=O)NC[C@@H](O)c1ccc2ccccc2c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(c(F)cc1)-c1nc(N)ccc1[N+](=O)[O-]
### Response:
Nc1ccc([N+](=O)[O-])c(-c2ccccc2F)n1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@H](C)O[3*]
Fragment 2: [1*]C(=O)[C@@H]([4*])C
### Response:
COC(=O)[C@H]1CCCCC[C@H]1NC(=O)[C@H](C)Oc1ccccc1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
COC(=O)CCN(C(=O)c1cccc2ccccc12)C(C)C
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CC(C)(C)OC(=O)NC1(CNS(C)(=O)=O)CCCCC1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N(C)C[8*]
Fragment 2: [16*]c1ccc(C)cc1C
### Response:
Cc1ccc(-c2nc(C)c(C(=O)N(C)Cc3ncnn3C)s2)c(C)c1 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
C[C@H](CO)NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CN(C(=S)N[C@@H]1C=CS(=O)(=O)C1)C1CCCCC1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCCC(=O)Nc1cccc(NCC(=O)Nc2ccc(Cl)cc2)c1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C[C@H]1O[C@H](C)CN(C1)C(=O)CNc1c2c(ccc1)CCCC2
### Response:
C[C@@H]1CN(C(=O)CNc2cccc3c2CCCC3)C[C@@H](C)O1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cnn([9*])n1
Fragment 2: [16*]c1ccccc1
### Response:
C=CCn1c([S-])nnc1CC1=N[C@@H](NC(=O)c2cnn(-c3ccccc3)n2)SC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12c3ccccc3oc(=O)c1[C@@H](c1cc3ccccc3n(C)c1=O)[C@@H](O2)C(OCC)=O
### Response:
CCOC(=O)[C@@H]1Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc2ccccc2n(C)c1=O |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]C[C@H]([8*])O
Fragment 2: [1*]C(=O)CC
### Response:
CCC(=O)N1CCCc2cc([C@H](O)CN3CCN(c4ccc(F)cc4)CC3)ccc21 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
NS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1Br
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN(C)S(=O)(=O)c1cccc(C2=N/C(=C\c3cccc(Cl)c3)C(=O)O2)c1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H]12C(N([C@H](C)C(=O)N1CCC2)C1CCCCC1)=O
### Response:
C[C@@H]1C(=O)N2CCC[C@@H]2C(=O)N1C1CCCCC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Nc1c(C(=O)Nc2ccc(F)c(F)c2)sc2nc(-c3ccncc3)ccc12
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(CC(=O)NNc2cc(C#N)cc(Cl)n2)c(Cl)c1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1cccs1
Fragment 2: [4*][C@H]([8*])CN[5*]
### Response:
CC1CC[NH+]([C@@H](CNC(=O)Nc2ccc(C(N)=O)cc2)c2cccs2)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)N[C@@H](Cc1cc(Br)c(O)c(Br)c1)C(=O)[O-]
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@@H]1CCC[NH+]([5*])C1
Fragment 2: [5*]Nc1nccc([14*])n1
### Response:
CCNc1ccnc(N[C@@H]2CCC[NH+](Cc3ccc(Cl)cc3)C2)n1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cc(Cl)cc(Cl)c1
Fragment 2: [12*]S(=O)(=O)c1ccc(F)cc1
### Response:
O=C(Nc1nnc(-c2cc(Cl)cc(Cl)c2)o1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CC([C@H](NC(=O)C(=O)Nc2cc3cn[nH]c3cc2)c2ccccc2)CC1
### Response:
O=C(Nc1ccc2[nH]ncc2c1)C(=O)N[C@H](c1ccccc1)C1CCCC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1cccc(N2CCN(C(=O)CCCn3sc4ccccc4c3=O)CC2)c1
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCCCN(C)C(=O)[C@@H](c1ccccc1C)N(C)C
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
CC[C@@H](Cl)CCC[C@H]1CCCN(S(C)(=O)=O)C1
### Response:
No |
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