task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(Cc1noc2ccccc12)N1CC(c2nc(-c3ncccn3)no2)C1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(CO)N1CCN(Cc2ccc(F)c(F)c2)[C@@H](CCO)C1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1oc(-c2ccc(Cl)c(N)c2)nc1[C@H]1SCCSC1
### Response:
Nc1cc(-c2nc([C@@H]3CSCCS3)no2)ccc1Cl |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
COc1cccc(C2=[NH+][C@@H](c3ccccc3)C(=S)N2)c1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@H]1CCCC[NH+]1CCNC(=O)NCc1cccc(C#N)c1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [7*]C1NC(=O)N(C)C1=O
Fragment 2: [7*]Cc1ccccc1
### Response:
CN1C(=O)N/C(=C\c2ccccc2)C1=O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(C[C@@H]1S/C(=N\c2ccccc2)N(CCO)C1=O)Nc1ccc(C(=O)[O-])cc1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@]12CC3CC(CC(=O)C(C#N)C#N)(C1)C[C@@](C)(C3)C2
### Response:
4 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
CCCNC(=O)C1CCN(C(=O)NC(C2CC2)C2CC2)CC1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]Cc1ccccc1
Fragment 2: [5*]Nc1ccc(C)c(C)c1
### Response:
Cc1ccc(NC(=O)c2ccc3c(c2)nnn3Cc2ccccc2)cc1C |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H]1CN(C[C@@H]2CCC[NH+]2Cc2ccc(Cl)nc2)C[C@H](C)O1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cccc(O[C@H](C)C(=O)NCCC[NH+]2CCCC2)c1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(C)[C@H]([C@H](C)CCC)[NH2+]C1CCC(O)CC1
### Response:
CCC[C@@H](C)[C@@H](CC)[NH2+]C1CCC(O)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(CC(=O)N2CCC[C@H](C(=O)NCC(F)(F)F)C2)s1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1noc(CN2CCOc3ccccc32)n1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=C(NCCCn1cc[nH+]c1)N1C[C@H]2CCCC[C@]21c1ccccc1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CS[C@H]1CC[C@@H](NC(=O)Cc2nc(-c3ccsc3)oc2C)C1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@@H]1Cc2ccccc2CN1[5*]
Fragment 2: [5*]N(C)C
### Response:
CN(C)c1ncc(CN2Cc3ccccc3C[C@H]2C(=O)NC(C)(C)C)cn1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@@H](NC(=O)N1CCCC[C@@H]1CN1CCOCC1)c1cccs1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(CC(=O)Nc2cc(S(=O)(=O)N3CCCC3)sc2C)cc1OC
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cccc(Cl)c1
Fragment 2: [1*]C(=O)N[5*]
### Response:
C[C@H](NC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)[C@@H](C)CO |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCN1CCc2c(sc(NC(=O)C3CC3)c2-c2nc3ccccc3s2)C1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(=O)(Nc1ccccc1N1C[C@@H](C)O[C@@H](C1)C)CN1CC[NH+](CC)CC1
### Response:
CC[NH+]1CCN(CC(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1C[C@H](C)C[NH+]([C@@H](CNC(=O)Nc2c(C)c(C)ccc2)C)C1
### Response:
Cc1cccc(NC(=O)NC[C@@H](C)[NH+]2CCC[C@H](C)C2)c1C |
functional_group | ### Instruction:
Does the molecule contain a amine group?
CCO[C@@H](C)c1nc(CNc2cccc(-n3nnnc3C)c2)cs1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@@H](C)C(=O)N[5*]
Fragment 2: [3*]OCC
### Response:
CCOC(=O)N1CCN([C@@H](C)C(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(Cl)c3F)cc2)C1
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@H](NC(=O)[C@H]1CC=CCC1)c1ccc(F)c(F)c1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H](C(=O)Nc1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1)n1cncn1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1cccs1
Fragment 2: [8*]Cc1cccnc1
### Response:
CN(C)c1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2Cc2cccnc2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCCC
Fragment 2: [4*]CCC
### Response:
CCCNC(=O)NC(=O)CN1C[C@H](CC)Oc2ccccc21 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCC[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)CCO1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cccs1
Fragment 2: [1*]C(=O)C[4*]
### Response:
Cc1cc(OCC(=O)NCCCNC(=O)c2cccs2)ccc1Cl |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]Oc1cccnc1
Fragment 2: [3*]OCC[4*]
### Response:
Cc1ccc([C@H](C)[NH2+]CCOc2cccnc2)s1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)N1CCN([5*])CC1
Fragment 2: [1*]C(=O)COC
### Response:
COCC(=O)N1CCN(C(=O)NC[C@H]2CC[NH+](CC(F)(F)F)C2)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN(C)C(=O)CN(C(=O)CCC1CCCC1)c1ccccc1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1C(=O)N1CCN(Cc2ccccn2)CC1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC1CCC(NC(=O)COc2ccc(NC(=O)c3ccco3)cc2)CC1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)N[C@]1(C#N)CC[C@H](n2cc[nH+]c2)C1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCCS1(=O)=O
Fragment 2: [1*]C(=O)c1cccc([16*])c1
### Response:
Cc1nc(COc2cccc(C(=O)N3CCCS3(=O)=O)c2)cs1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1n(c(c([N+]([O-])=O)c1)N)-c1ncc(cc1)C(F)(F)F
### Response:
Nc1c([N+](=O)[O-])cnn1-c1ccc(C(F)(F)F)cn1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccc(CN[5*])cc1
Fragment 2: [4*]Cc1ccc(C[4*])cc1
### Response:
C[C@H](NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1)c1nc2ccccc2n1C |
functional_group | ### Instruction:
Does the molecule contain a amide group?
COC(=O)c1ccc(-c2csc(NC(=O)c3ccc(S(C)(=O)=O)cc3)n2)cc1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a ether group?
O=C(C=C1CCSCC1)N[C@@H]1CCC[C@H]1Cc1ccccc1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC[C@H](C)C[C@@H](C)NC(=O)c1cc(C(C)C)no1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(C(=O)N)cc(NC(=O)c2cc(CC#N)ccc2)c(F)cc1F
### Response:
N#CCc1cccc(C(=O)Nc2cc(C(N)=O)c(F)cc2F)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCN([5*])CC1
Fragment 2: [4*]Cc1ccncc1Cl
### Response:
Fc1cccnc1N1CCN(Cc2ccncc2Cl)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1C(C(=O)[O-])(CCC(C1)C)NC(NC1C(C)(C)C1(C)C)=O
### Response:
CC1CCC(NC(=O)NC2C(C)(C)C2(C)C)(C(=O)[O-])CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCC
Fragment 2: [5*]N1CCC([15*])CC1
### Response:
CCOC1CCN(C(=O)N[C@H]2[C@H](C)[C@H](OC)C2(CC)CC)CC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@@H](OC(=O)[C@H]1CCCN1C(=O)C1CC1)c1ccc(Cl)s1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@@H]([8*])C
Fragment 2: [5*]Nc1ccc([16*])cc1
### Response:
C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(NC(=O)C2CC2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
O=C(/C=C/C1CC1)NCCC[NH+]1CCN(c2ccccc2Cl)CC1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN(Cc1nc(C)no1)C(=O)c1ccc(-n2nc(C)cc2C)cc1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCN([5*])CC1
Fragment 2: [1*]C(=O)c1c[nH]c2nccc(Cl)c12
### Response:
C[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2c[nH]c3nccc(Cl)c23)CC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCC2=CCCC2)c(C)c1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1ccn(c1CN1CCC(CC1)C(=O)NC[C@H](c1ccccc1)CC)C
### Response:
CC[C@H](CNC(=O)C1CCN(Cc2nccn2C)CC1)c1ccccc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[NH+](C)(C)[C@H]1CC[C@@H](NC(=O)N[C@H](C)[C@@H]2COCC2)C1
### Response:
C[C@@H](NC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1)[C@H]1CCOC1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1n[nH]c(C)c1CCC(=O)NCC[NH+]1CCC[C@@H](C)C1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H]1CC(Oc2c(F)cc(CC[NH3+])cc2F)C[C@H](C)C1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCOc1cc2c(cc1CNC(=O)c1cccnc1SC(F)F)O[C@@H](C)C2
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC(C)C[C@H](C(=O)N[C@@H](C)c1nc2ccccc2n1C)N1CCCCC1=O
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN1C(=O)/C(=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])S/C1=N\c1ccc(OC)cc1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]O[C@H](C)C#N
Fragment 2: [3*]Oc1ccc(C[4*])cc1
### Response:
C[C@H](C#N)Oc1ccc(C[NH+]2CCCN(C(=O)Cc3cccc(F)c3)CC2)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1c(nc[nH]1)-c1nc(on1)[C@H](NC(Cc1cc(c(C)cc1)O)=O)CC(C)C
### Response:
Cc1ccc(CC(=O)N[C@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)cc1O |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(=O)(Nc1ccc(F)cc1F)c1ccc(o1)Br
### Response:
O=C(Nc1ccc(F)cc1F)c1ccc(Br)o1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cn1c(C2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)n[nH]c1=S
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(c([C@@H]2C[C@@H](CN2C(=O)c2cn(nn2)CCC(C)C)O)cc1F)F
### Response:
CC(C)CCn1cc(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)nn1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12ccc(cc2cccc1)CC(NCCCC)=O
### Response:
CCCCNC(=O)Cc1ccc2ccccc2c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc([C@H]([NH3+])CCCC(N)=O)ccc1F
### Response:
5 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCOC[C@@H]1CCN(C(=O)NCCCc2nc3c(s2)CCCC3)C1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
COc1ccccc1C[C@H](C)[NH2+][C@@H]1CC(C)(C)OC1(C)C
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CCC[C@@]1(C(=O)[O-])CCN(C(=O)NC[C@]2(C)CCCO2)C1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[C@H]2C=C[C@@H]1[C@@H]1C(=O)N(CC(=O)Nc3nc(-c4ccc(c(C)c4)C)cs3)C(=O)[C@H]12
### Response:
Cc1ccc(-c2csc(NC(=O)CN3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@@H]4C3)n2)cc1C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [10*]N1N=C(CCC)CC1=O
Fragment 2: [16*]c1ccc(Cl)c(F)c1
### Response:
CCCC1=NN(c2ccc(Cl)c(F)c2)C(=O)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN(Cc1ccccn1)C(=O)N[C@H]1CCC[C@H]1c1ccc(F)cc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@H]([8*])C
Fragment 2: [1*]C(=O)c1ccc(N[5*])cc1
### Response:
COc1ccc(C(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)cc1Br |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
CC(C)(C)C(=O)N1CCOc2ccc(NC(=O)/C=C/c3cccnc3)cc21
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(Br)c(cc(c1)S(=O)(=O)NCCOC)C(N1C[C@H](CCC1)C)=O
### Response:
COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N2CCC[C@H](C)C2)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)N1CCO[C@@H](C(=O)c2occc2Br)C1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCO[C@H](C)C1
Fragment 2: [4*]CC1CC1
### Response:
C[C@@H]1CN(C(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CCO1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CSCCC(=O)N1CC[C@@]2(CCCN(Cc3ccccc3F)C2=O)C1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH2+]C1CC1
Fragment 2: [5*][NH+]1CCC(OC)CC1
### Response:
COC1CC[NH+]([C@H]2CCC[C@](CO)([NH2+]C3CC3)C2)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1=C(S/C(=C/c2c(-c3ccccc3)nn(C)c2)C1=O)N1CCCCC1
### Response:
Cn1cc(/C=C2/SC(N3CCCCC3)=NC2=O)c(-c2ccccc2)n1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)NC3CCCCC3)ccc12
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N(C(=O)[C@@H]1OCC(=O)N([C@H]1c1cccc(c1)F)C)C(C)C
### Response:
CC(C)NC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1cccc(F)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOc1ccc(NC(=O)c2nc(SCC)ncc2Br)cc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
COc1ccc(C(=O)Nc2nonc2-c2cc(C)ccc2C)cc1Cl
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)[C@@H]1OCCc2ccccc21
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@H]([NH3+])C1CCN(c2nc[nH+]c3c2CCCCC3)CC1
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1cc(NC(=O)c2ccccc2S(C)(=O)=O)n(-c2nc3ccccc3s2)n1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccccc1-c1cc(NC(=O)CS(=O)(=O)C(C)C)n(C)n1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(S(N)(=O)=O)cc1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(F)c(F)c1
Fragment 2: [1*]C(=O)[C@@H]([8*])O[3*]
### Response:
Cn1c(CNC(=O)[C@H](Oc2ccc(F)c(F)c2)c2ccccc2)n[nH]c1=S |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(=O)Nc1ccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC(C)[C@@H]([NH2+]CCCNC(C(C)C)=O)C
### Response:
CC(C)C(=O)NCCC[NH2+][C@@H](C)C(C)C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N(C)C[8*]
Fragment 2: [1*]C(=O)C[8*]
### Response:
Cc1cccc(-c2noc(CN(C)C(=O)Cc3ccccc3)n2)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=[N+]([O-])c1cccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3[C@H]3C=CC[C@H]32)c1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(NC[C@@H](C)c1ccccc1)/C=C/c1c2OCOCc2cc([N+]([O-])=O)c1
### Response:
C[C@H](CNC(=O)/C=C/c1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCC
Fragment 2: [4*][C@@H]([8*])CC(F)(F)F
### Response:
CCOC(=O)[C@H]1CCCN(C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
S(=O)(c1cccc(S(N2CCCC[C@H]2[C@@H]2N(C(OC(C)(C)C)=O)CCC2)(=O)=O)c1)(=O)N
### Response:
CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1S(=O)(=O)c1cccc(S(N)(=O)=O)c1 |
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