task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1c[nH+]c(N2CCC[C@H](c3cc(=O)[nH]cn3)C2)nc1N(C)C
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[C@@H](Oc2c1cc(OC)c(c2)C[NH2+][C@H](c1ccc(OC)c(OC)c1)C)C
### Response:
COc1cc2c(cc1C[NH2+][C@@H](C)c1ccc(OC)c(OC)c1)O[C@@H](C)C2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(-c2csc(NC(=O)c3ccc(S(C)(=O)=O)cc3)n2)cc1OC
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCn1c(C)cc(C(=O)N2CCC[C@H]2Cn2cccn2)c1C
### Response:
0 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COCCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
Cc1ccc2nc(CN3C(=O)N[C@@](C)(c4ccc5c(c4)OCO5)C3=O)cc(=O)n2c1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC1=C(C2[NH+]=c3cc(C)c(C)cc3=[NH+]2)[C@@H](Cl)N(C)N1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN(C[C@@H]1CCOC1)C(=O)Nc1ccccc1CN1CCc2ccccc21
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(N2C(=O)N=C([O-])/C(=C\c3c(O)ccc4ccccc34)C2=O)cc1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(CSc1ccc(-c2ccc(Br)cc2)nn1)Nc1ccc(F)cc1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12sc(nc1ccc(c2)C(=O)C)N
### Response:
CC(=O)c1ccc2nc(N)sc2c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1n[nH]c(-c2cc(ccc2)C)c1C[NH+](CC1CC1)CCO
### Response:
Cc1cccc(-c2[nH]ncc2C[NH+](CCO)CC2CC2)c1 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
CC(C)(C)NC(=O)N1CC[C@@]2(C1)C(=O)Nc1ccccc12
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a amine group?
CCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
CCC(=O)N1CC[C@@H](C(=O)N(C[C@@H]2CCCCO2)C(C)C)C1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
Cc1ccc(O)c(C(=O)NC[C@H]2CCC[C@@H](O)C2)c1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc([C@H]2CCCN2C(=O)Nc2ccc3c(c2)CCO3)cc1OC
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@](O)(CNC(=O)Nc1ccc2[nH]ccc2c1)c1ccc(F)cc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
COc1ccc(S[C@H](C)C(=O)N[C@H](C#N)CC(C)C)cc1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(CCNC(=O)N2CCC[C@@H](c3nncn3C)C2)cc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1nc(CNC(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cs1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H]1(NC(=O)N2CC[C@@H]([C@@H]2C)C([O-])=O)CC[NH+]2CCCC[C@@H]21
### Response:
C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOc1ccccc1-c1[nH+]ccn1C[C@H]1C[NH+](C)CCN1C
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCO[C@H]1C[C@@H]([O-])C12CC[NH+](Cc1cc[nH]c1)CC2
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CC(CCC1C(OC(C)(C)C)=O)NC(c1cc(c(o1)C)C)=O
### Response:
Cc1cc(C(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)oc1C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)CC[8*]
Fragment 2: [16*]c1ccccc1
### Response:
O=C(CCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H](C)(NCc1c([N+]([O-])=O)cccc1)c1ccc(cc1Br)F
### Response:
C[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1Br |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(CO)oc(-c2cn(nn2)CCCn2nc(C)nc2C)c1
### Response:
Cc1nc(C)n(CCCn2cc(-c3ccc(CO)o3)nn2)n1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cc(=O)n(CC(=O)N2CCCC2)c(-c2cccc(Cl)c2)n1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [10*]N1C(=O)NC2(CCC(CC)CC2)C1=O
Fragment 2: [5*]N1CCN([5*])CC1
### Response:
CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(c3ccccc3)CC1)C2=O |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
COCCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(Cl)cc1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a ether group?
N#CCc1ccc(OC[C@@H](O)C[NH+]2CCc3cncnc3C2)cc1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CS(=O)(=O)c1ccc2nc(N3CCN(C(=O)COc4ccc(Cl)cc4)CC3)sc2c1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)(C)c1nnc(NC(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)s1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1cccs1
Fragment 2: [1*]C(=O)c1n[nH]c2ccc(C)cc12
### Response:
Cc1ccc2[nH]nc(C(=O)OC[C@H](C#N)Cc3cccs3)c2c1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
O=C(CSc1ccc(Cl)cc1)N1CCC(C(F)(F)F)CC1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(O)c(OC)cccc1CNc1ncnc2ccc(F)cc12
### Response:
COc1cccc(CNc2ncnc3ccc(F)cc23)c1O |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=[N+]([O-])c1cccc(C[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(C(C)=O)cc1CC(=O)N(C)CC(=O)N(C)C
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cccc([16*])c1C
Fragment 2: [10*]N1CCOC1=O
### Response:
Cc1c(NC(=O)N2CCc3cc(F)ccc3C2)cccc1N1CCOC1=O |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=S(=O)(N(C)C)N1CCN(CC1)C(=O)CCCc1ccccc1
### Response:
CN(C)S(=O)(=O)N1CCN(C(=O)CCCc2ccccc2)CC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@H]([NH3+])[C@@H](c1cc(Br)cs1)N(C)CCc1cccs1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc(OC)cc1
Fragment 2: [1*]C(=O)[C@@H]1[C@@H]([15*])[C@@H]2CC[C@H]1C2[7*]
### Response:
COc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@@H]3CC[C@H]2C3=C(C)C)cc1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CC(C)OC[C@@H]([NH3+])[C@H]1CCc2ccccc2C1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+]1CC[C@H](N)[C@H](C)C1
Fragment 2: [4*]Cc1cc2ccccc2o1
### Response:
C[C@@H]1C[NH+](Cc2cc3ccccc3o2)CC[C@@H]1N |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH2+]Cc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1cccnn1
Fragment 2: [3*]Oc1ccc(C[4*])cc1
### Response:
Cc1nc(COc2ccc(C[NH+]3CCCN(c4cccnn4)CC3)cc2)no1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[NH+](C)[C@H]1CCCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccccc2)C1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(CN2C(=O)c3ccc(C(=O)N4CCC(C(N)=O)CC4)cc3C2=O)cc1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[NH+](CC(=O)NC1CC1)Cc1ccc(Br)cc1
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(N[C@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl)c1cccc(Br)c1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c([nH]nc1-c1cccs1)C(N1C[C@@H](n2cc(cn2)C)CCC1)=O
### Response:
Cc1cnn([C@H]2CCCN(C(=O)c3cc(-c4cccs4)n[nH]3)C2)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [6*]C(N)=O
Fragment 2: [5*]N([5*])S(=O)(=O)c1cc([14*])n(C)c1
### Response:
Cc1cccc(CN(C2CC2)S(=O)(=O)c2cc(C(N)=O)n(C)c2)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]C(C)(C)C
Fragment 2: [4*][C@@H](C)CC
### Response:
CC[C@H](C)S[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C#N |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C1[C@@H]2C[C@@H](O)CN2C(=O)[C@H]2CN(Cc3cnn(-c4ccccc4Cl)c3)CCN12
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nn(-c2ccccc2)c(C)c1CNc1ncccc1F
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
Cc1cc(C)c(C(=O)OCCCc2cnc3c(C)c(C)nn3c2)o1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(CN1CCCCCCC1=O)N1CCC(O)(C(F)(F)F)CC1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CCN[5*]
Fragment 2: [5*][NH+](CC)CC
### Response:
CC[NH+](CC)CCNC(=O)c1c[nH]c2c(C)cccc2c1=O |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCOc1cccc(CCNC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)c1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1ccnn1
Fragment 2: [4*]Cc1csc(C)n1
### Response:
Cc1nc(CN(C(=O)CCCn2ccnn2)c2ccc(F)cc2)cs1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)[C@@H](C)O4)C2)cc1
### Response:
4 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
C[C@H](NC(=O)C1CC1)c1nc2ccccc2n1C/C=C/c1ccccc1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Cc1cc(C)cc(c1)CS[C@H](c1ccc(cc1)F)[C@@H](C)[NH3+]
### Response:
Cc1cc(C)cc(CS[C@H](c2ccc(F)cc2)[C@@H](C)[NH3+])c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ncccc1COc1ccc(CCl)cc1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCC[8*]
Fragment 2: [16*]c1ccccc1
### Response:
O=C(CS[C@@H]1CC(=O)N(c2ccccc2)C1=O)NCCc1ccc[nH]1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](C[NH+]1[C@@H]2CC[C@H]1CC(CC(=O)[O-])C2)c1ccccc1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H]1CC(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C[C@H](C)O1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1ccc(N2C[C@H](C(=O)NCC[NH+]3CCC(c4cccs4)CC3)CC2=O)cc1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
NC(=O)[C@]1(N)CC[C@@H]([NH+]2CCCCCCC2)C1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cccc(C2(CNC(=O)c3ccc(OC)nn3)CCCC2)c1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][N-]c1ccc(C2=NN/C(=N\c3ccccc3)SC2)cc1
Fragment 2: [12*]S(C)(=O)=O
### Response:
CS(=O)(=O)[N-]c1ccc(C2=NN/C(=N\c3ccccc3)SC2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1cccc(C(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)c1-n1cccc1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1ccc(C(=O)NCCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+]1CCC([15*])CC1
Fragment 2: [8*]Cc1ccccc1
### Response:
[O-]c1c([C@@H](c2ccccc2)[NH+]2CCC(Cc3ccccc3)CC2)sc2ncnn12 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CCC[C@H]2N1C[C@@H](CNC(=O)N1[C@@H](C[C@@H](C1)C)c1cc(ccc1)F)OC2
### Response:
C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)NC[C@@H]2CN3CCCC[C@@H]3CO2)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1COCCN1C[C@@H](C)CNC(=O)N[C@H](Cc1c(C)nn(C)c1C)C
### Response:
Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NC[C@H](C)CN1CCOCC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCNC(=O)c1ccc(Cl)cc1N[C@H]1CCN(C)C1=O
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C([O-])c1ccccc1NCCCO
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)n1ccnc1C#N
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1c(ccc(n1)S[C@@H](C(OC)=O)C)NC(=O)c1ccc(C)cc1
### Response:
COC(=O)[C@@H](C)Sc1ccc(NC(=O)c2ccc(C)cc2)nn1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(cc(C(F)(F)F)cc1C(F)(F)F)C(=O)N(C)[C@H](c1ncccc1)C
### Response:
C[C@@H](c1ccccn1)N(C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N(c1cccc2c1ccn2C(C)C)C(=O)Cc1c2c(c(=O)n(C(C)C)n1)cccc2
### Response:
CC(C)n1nc(CC(=O)Nc2cccc3c2ccn3C(C)C)c2ccccc2c1=O |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12CCCCc1sc(NC(=O)CN1CC[NH+](CCOC(C)C)CC1)n2
### Response:
CC(C)OCC[NH+]1CCN(CC(=O)Nc2nc3c(s2)CCCC3)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)N(C)C)o2)C1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
CC[C@@H](C)[C@@H](C(=O)Nc1ccc([N-]S(C)(=O)=O)cc1)c1ccccc1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C1=C(C)Nc2nc(S[11*])nn2[C@H]1c1ccc([16*])cc1
Fragment 2: [4*]CCC
### Response:
CCCSc1nc2n(n1)[C@@H](c1ccc(C(=O)[O-])cc1)C(C(=O)Nc1cccc(C)c1)=C(C)N2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc2cc(CN(C(=O)NCc3ccccc3)C3CCCCC3)c(=O)[nH]c2c1
### Response:
0 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
N#C[C@H]1CN(C(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])CCO1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[C@H](CCC=1)CC(N1[C@@H](c2nc3c(cccc3)s2)CCCC1)=O
### Response:
O=C(C[C@@H]1C=CCC1)N1CCCC[C@@H]1c1nc2ccccc2s1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCn1cc(-c2cc(C(=O)N(C)Cc3ccc4c(c3)C[C@H](C)O4)no2)cn1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(c1ccccc1C)(N/N=C/c1cc(Cl)ccc1OCC#C)=O
### Response:
C#CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccccc1C |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC[C@H](NC(=O)N[C@H](C)CCCO)c1cccs1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1nc(-c2nccn2C)cn1Cc1ccc(cc1)S(=O)(N)=O
### Response:
Cn1ccnc1-c1cn(Cc2ccc(S(N)(=O)=O)cc2)nn1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [10*]N1CCOC1=O
Fragment 2: [16*]c1ccncc1C
### Response:
Cc1cnccc1CCN[C@H](C)c1cccc(N2CCOC2=O)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(OC)c(SC)c1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
FC(F)(c1c(cccc1)S(=O)(=O)N1CCC[C@H]1C(N[C@@H]1CCCc2ccccc12)=O)F
### Response:
O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(Cl)ccc(cc1)S(N1CCN(CC1)c1nc(nc(OC(C)C)c1)C)(=O)=O
### Response:
Cc1nc(OC(C)C)cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(cccc2c1[nH]c1CCCCc21)C(Nc1ccc2COCc2c1)=O
### Response:
O=C(Nc1ccc2c(c1)COC2)c1cccc2c3c([nH]c12)CCCC3 |
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