task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CSc1nc([O-])nc(C)c1C(=O)N[C@H](C)[C@H](C)c1ccccc1
### Response:
4 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H](NC(=O)N[C@H]1CCC[C@@H]1CO)c1nnc2ccccn12
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccccc1[C@@H](C)CC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1
### Response:
4 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCOc1ccc(NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1Cl
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCn1nc(C)c(C(=O)NC[C@@H](O)C[NH+](C)C)c1C
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCc1nn(C)cc1CNC(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(Nc1cccc(Cl)c1)Nc1nc(C(=O)N2CCN(Cc3ccccc3)CC2)cs1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1C(N)=[NH+]C[C@@H]1[13*]
Fragment 2: [4*]CCC
### Response:
CCCN1C(N)=[NH+]C[C@@H]1c1cc(Cl)c2c(c1)OCO2 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
COC(=O)c1cc(=O)[n+](Cc2cccs2)c(NCc2cccs2)s1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
Cc1nc(-c2cccs2)cc([C@H]2C[NH+]3CC[C@H]2C[C@@H]3CNC(=O)c2ccccc2)n1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
O=CN[C@H](C(=O)[O-])[C@@H]1CCO[C@@]2(CCOC2)C1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(NC(NCc2c(OC3CCCC3)cccc2)=O)c(cccc1)S(C)(=O)=O
### Response:
CS(=O)(=O)c1ccccc1NC(=O)NCc1ccccc1OC1CCCC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N(C(CCc1sccc1)=O)(c1cccc(C#C)c1)C(C)C
### Response:
C#Cc1cccc(N(C(=O)CCc2cccs2)C(C)C)c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc([C@H]2CC(=O)C3=C(C2)N=C(C(=O)O[C@H]2CCC[C@H]2C)[C@H]3C)cc1OC
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCCC1
Fragment 2: [4*]Cc1nc(C)no1
### Response:
Cc1noc(CNc2ccc(C(=O)N3CCCC3)cc2)n1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(NNC(=O)c1cc(Cl)ccc1O)c1ccc(Cl)nc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)C#Cc1ccccc1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(NCc1ccco1)c1cccc(NC(=O)c2ccccc2)c1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+]1C[C@@H](C)[C@@H](C)C1
Fragment 2: [4*]Cc1ccc(OC)c(OC)c1OC
### Response:
COc1ccc(C[NH+]2C[C@@H](C)[C@@H](C)C2)c(OC)c1OC |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH2+][C@H]1CCO[C@]2(CCSC2)C1
Fragment 2: [4*][C@H]([8*])CC
### Response:
CC[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1c(F)cccc1Cl |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1nc2cc(NC(C)=O)cc(C(=O)N3CCC[C@H](c4ccccc4C)C3)c2n1Cc1cccnc1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(Nc1cc(N2CCN(Cc3ccccc3)CC2)ncn1)c1cccc2ccccc12
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12nc(n3CCCCCc3c-1c(n(-c1ccccc1)n2)=O)SCc1ccccc1
### Response:
O=c1c2c3n(c(SCc4ccccc4)nc-2nn1-c1ccccc1)CCCCC3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1nn(-c2ccc(cc2)C(Nc2c(cc(cc2F)F)F)=O)cc1C
### Response:
Cc1cnn(-c2ccc(C(=O)Nc3c(F)cc(F)cc3F)cc2)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1(C[C@@H](CO)OC[C@H]1C)Cc1cc(OCc2cnccc2)c(cc1)OC
### Response:
COc1ccc(CN2C[C@@H](CO)OC[C@H]2C)cc1OCc1cccnc1 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
C[C@@H](c1nc(-c2cccnc2Oc2ccccc2)no1)[NH+]1CCSCC1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)Cc1ncc(CN2CCN[C@H](C(=O)N(C)C)C2)s1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CCN1C[C@H](NC(=O)CNS(=O)(=O)c2ccc(F)cc2C)CC1=O
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C1[C@@H]2[C@H](C(=O)N1CCC(=O)N(CC1CC1)C1CCCCC1)[C@H]1CC[C@@H]2O1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
NC(=O)CNC(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1(CC[NH2+]CC1)c1cc(-c2ncccc2)nc(n1)CC
### Response:
CCc1nc(-c2ccccn2)cc(N2CC[NH2+]CC2)n1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1c(F)cccc1NC(=O)C(=O)NCc1cc(C#N)ccc1F
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(cc(c(c1)N)S[C@H]1CS(C[C@@H]1O)(=O)=O)Cl
### Response:
Nc1ccc(Cl)cc1S[C@H]1CS(=O)(=O)C[C@@H]1O |
functional_group | ### Instruction:
Does the molecule contain a ether group?
O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccccc1F
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(C[NH+]2CCNC(=O)CC2)cc1OCC(C)C
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nn(-c2ccccc2)c(C)c1N1CCN(C(=O)Cc2cccc3ccccc23)CC1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc([C@H](C)NC(=O)N(C)Cc2ccc3c(c2)OCCO3)c(C)s1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)N1C[C@@H](C(=O)N2C[C@@H](O)[C@@H](O)C2)CC1=O
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(N(CC(Nc1cc(C#C)ccc1)=O)C)(CCc1cc2OCOc2cc1)=O
### Response:
C#Cc1cccc(NC(=O)CN(C)C(=O)CCc2ccc3c(c2)OCO3)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH+](CCO)Cc1cccc(OCC(F)(F)F)c1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
Cc1ccc(S(=O)(=O)/N=C(\[O-])[C@H]2SCCc3ccccc32)c(F)c1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN(Cc1ccc(O)cc1)C(=O)c1c(F)ccc(N)c1F
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
COc1ccc(C(N)=O)c(OCc2cc(=O)n3ccsc3n2)c1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]Oc1ccc(OC)cc1
Fragment 2: [5*]N1CCC([15*])CC1
### Response:
CCC(=O)N1CCC(c2nccnc2Oc2ccc(OC)cc2)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1cccs1
Fragment 2: [16*]c1ccccc1OC
### Response:
CO/C([O-])=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@@H]1c1cccs1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(C)cc1NC(=O)COc1ccc(Cl)c(Cl)c1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@H](C)C[S@](=O)Cc1nnnn1C1CC1
### Response:
4 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(-c2csc(NC(=O)COC(=O)C3CC3)n2)cc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1cccc(-c2nnc([S-])n2CC(=O)NCc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)c1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC[C@H](c1ccc(C)cc1)NC([C@@H](C)NC1=NS(=O)(=O)c2ccccc12)=O
### Response:
CC[C@@H](NC(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21)c1ccc(C)cc1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CCCCOC(=O)C[NH+]1CCC(C(N)=O)CC1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCC[C@@H](C)NC(=O)[C@H]1CCC[NH2+][C@@H]1C
### Response:
6 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CNC(=O)Cc1ccc(NC(=O)C(=O)NCc2ccc(C)cc2)cc1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1(N(CCOC)CCN(C(=O)c2[nH]c3ccc(cc3c2)F)C1)=O
### Response:
COCCN1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1=O |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*][C@H]1[C@H]([S@@](=O)c2cccc(OC)c2)CCCC1(C)C
Fragment 2: [5*][NH2+]CC
### Response:
CC[NH2+][C@H]1[C@H]([S@@](=O)c2cccc(OC)c2)CCCC1(C)C |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(-c2csc(NC(=O)c3cccc4ncccc34)n2)c(OC)c1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c[nH+]c2c(cccc2)c1N1C[C@@H](CCC1)c1nncn1CC
### Response:
CCn1cnnc1[C@@H]1CCCN(c2cc[nH+]c3ccccc23)C1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CCN(CC)C(=O)[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(C(=O)OC)c1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cnc(NC(=O)c2c(F)ccc(N)c2F)s1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
OCCOCC[NH+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc(N2C(=O)C[C@@H](C(=O)OCC(=O)NC(=O)NC3CCCC3)[C@H]2c2cccs2)cc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)CCO[3*]
Fragment 2: [1*]C(=O)CC[4*]
### Response:
Cc1cc(CNC(=O)CCOc2ccc([N+](=O)[O-])cc2)c(C)o1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1cccs1
Fragment 2: [5*]Nc1cc([14*])no1
### Response:
CC(C)c1cc(NC(=O)C[NH+]2CCC[C@H]2c2cccs2)on1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@@H]1CC=CCC1
Fragment 2: [5*]Nc1cnn([9*])c1
### Response:
CS(=O)(=O)c1ccccc1-n1cc(NC(=O)[C@@H]2CC=CCC2)cn1 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
Cc1ccc(NCc2nnc(C(C)(C)C)o2)cc1C
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(=O)(C1[C@H](c2cc(F)ccc2)c2c(n(C)c(n(c2NC=1C)C)=O)=O)OCC(C)C
### Response:
CC1=C(C(=O)OCC(C)C)[C@H](c2cccc(F)c2)c2c(n(C)c(=O)n(C)c2=O)N1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N([5*])[C@@H]1CCS(=O)(=O)C1
Fragment 2: [16*]c1ccc(F)cc1
### Response:
CC(C)CN(C(=O)COc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCC(CC)[C@H](CNC(=O)c1cnc2sc(C)cn2c1=O)[NH+]1CCCC1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)n1ncc2cc(NC(=O)CCc3ccccc3)cnc21
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CC[C@H]([15*])C1
Fragment 2: [5*][NH+](CC)CC
### Response:
CC[NH+](CC)[C@H]1CCN(C[C@@H](C)CS)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(CCSc1ccccn1)NC1CC[NH+](Cc2ccccc2)CC1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H](NC(=O)NCc1ccc(-c2nc3ccccc3s2)o1)[C@@H](C)CO
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC(C)N(C[C@@H]1C[C@H]1C)C(=O)NCCS(=O)(=O)c1ccccc1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1c(Nc2cc(ccc2OC)C)c(c(nc1)Nc1cccnc1Cl)[N+](=O)[O-]
### Response:
COc1ccc(C)cc1Nc1ncnc(Nc2cccnc2Cl)c1[N+](=O)[O-] |
functional_group | ### Instruction:
Does the molecule contain a amine group?
Cc1cc(NCCc2c[nH]c(=O)[nH]c2=O)nc(-c2cccnc2)n1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1ncc([16*])c1C
Fragment 2: [14*]c1nc(C)cc(C)n1
### Response:
Cc1cc(C)nc(-n2ncc([C@@H](C)O)c2C)n1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCN(C)C3
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CC1C(CNC(N[C@@H](c1ncon1)c1ccc(Cl)cc1)=O)C1CC1
### Response:
O=C(NCC(C1CC1)C1CC1)N[C@H](c1ccc(Cl)cc1)c1ncon1 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
CC[C@@]1(C)C[NH2+][C@H](C)CN1C[C@@H]1Cc2ccccc2S1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@H]1COC2(CCN(Cc3cc4ccccc4s3)CC2)O1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
C=C(C)C(=O)Nc1ccc(/C=C/C(=O)c2ccc(OC)cc2)cc1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(ccc(nc1)N[C@H](c1c(cccc1)OC)c1ncccc1)Cl
### Response:
COc1ccccc1[C@@H](Nc1ccc(Cl)cn1)c1ccccn1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N(C)C=C(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1
Fragment 2: [16*]c1ccccc1
### Response:
Cc1ccc(C(=CN(C)c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cccc(N[5*])c1
Fragment 2: [1*]C(=O)c1cccs1
### Response:
O=C(Nc1cccc(NC(=O)c2cccs2)c1)NC(C1CC1)C1CC1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
O=C(Cc1ccccc1)Nc1cc(-n2cnnn2)ccc1N1CCCC1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(NCc1ccccc1)C1=C2CCCC[C@@H]2S[C@@H]1NC(=O)[C@@H]1C=C(c2ccccc2O)N=N1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [11*]Sc1ncc([14*])o1
Fragment 2: [1*]C(=O)[C@@H]([4*])C
### Response:
Cc1cc(NC(=O)[C@H](C)Sc2ncc(-c3ccc(Cl)cc3)o2)no1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]Oc1c(Cl)cc(C[7*])cc1OC
Fragment 2: [16*]c1ccc(F)cc1
### Response:
C#CCOc1c(Cl)cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2[O-])cc1OC |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N([5*])c1ccccc1
Fragment 2: [4*]CC1CC1
### Response:
O=C(CSc1nnnn1C1CCCC1)N(CC1CC1)c1ccccc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc2ncn(C[C@H](O)COc3ccc(C(C)C)cc3)c2cc1C
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1cccc(C)c1NC(=O)C[NH+]1CCN(CC(=O)NC2CCCCC2)CC1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a amide group?
COc1ccccc1N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cn(C(C)C)cn3)C2)CC1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C#CCn1/c(=N/C(=O)c2cccc(S(=O)(=O)C(C)C)c2)sc2cc(OC)ccc21
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)C1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN(C)C(=O)c1ccc(NC(=O)CN2CC[NH+](Cc3cccc4cccnc34)CC2)cc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N(C(=O)c1cc(C#N)cn1C)[C@H](c1ccc(cc1)OCC(F)(F)F)C
### Response:
C[C@H](NC(=O)c1cc(C#N)cn1C)c1ccc(OCC(F)(F)F)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCS(=O)(=O)C[C@H]1c1ccccc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(=O)(N1C[C@@H](CCC1)COc1ccccc1)C/C=C/c1ccc(cc1)F
### Response:
O=C(C/C=C/c1ccc(F)cc1)N1CCC[C@@H](COc2ccccc2)C1 |
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