task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccc(OC)cc1
Fragment 2: [5*]N([5*])c1ccc([16*])cc1
### Response:
CCOc1ccc(N(C[C@@H]2C=c3ccccc3=[NH+]C2=O)C(=O)c2ccc(OC)cc2)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12c([C@@]3(CC2)C[C@H]3C(=O)N[C@H](C(N2CCOCC2)=O)CC)cccc1
### Response:
CC[C@H](NC(=O)[C@@H]1C[C@@]12CCc1ccccc12)C(=O)N1CCOCC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1F
Fragment 2: [3*]OCC[4*]
### Response:
Fc1ccccc1OCCSCc1csc(-c2ccco2)n1 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
Cc1ccc(CNS(=O)(=O)Cc2ccc(C)cc2)cc1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CN(c1ccc(Nc2ccc(cc2)N(C)C)cc1)C
### Response:
CN(C)c1ccc(Nc2ccc(N(C)C)cc2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CCn1nc(C)c(Br)c1CN1C[C@@H](C)C[C@H]([NH3+])C1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccc2c(c1)c(=O)cc(C)n2CC
Fragment 2: [5*]Nc1ccc(Cl)cc1
### Response:
CCn1c(C)cc(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc21 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
CC[n+]1c(/C=C2/C=C(C)CC(C)(C)C2)sc2ccc(OC)cc21
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a halide group?
COc1cccc(Oc2ccc(NC(=O)c3ccncc3Cl)cc2)c1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH+]1CC(=O)Nc1ccc(C(=O)N(C)C)cc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]Oc1cc([14*])nc2ccccc12
Fragment 2: [14*]c1cc([16*])c2ccccc2n1
### Response:
Cc1ccc(Oc2cc(C(=O)[O-])nc3ccccc23)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(C)(NC(=O)[C@H](N1CC[S@@](=O)C(C)(C)C1)C)(C)C
### Response:
C[C@H](C(=O)NC(C)(C)C)N1CC[S@@](=O)C(C)(C)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[NH3+][C@H]1[C@@H](c2cc(cc(c2)OC)OC)CCC1
### Response:
COc1cc(OC)cc([C@H]2CCC[C@H]2[NH3+])c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[NH2+]Cc1cc(F)c(O[C@H](C)C(=O)OC)c(F)c1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
C[C@H](OC(=O)c1cnc(-c2ccccc2Cl)s1)c1nccs1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
Cc1ccc(NC(=O)C[C@@H]2C(=O)N[C@H]3CCCC[C@@H]3N2C(=O)c2ccc(F)cc2)cc1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(CCC(=O)N[C@H](C)c2cn(C)nc2C)cc1Br
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CONC(=O)c1ccc(C(=O)NOC)s1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cn1ncnc1C[C@H](O)C1([NH+]2CCCCC2)CCCC1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
C[NH+](C)CCn1cc(NC(=O)Nc2ccc3oc(=O)ccc3c2)cn1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H]1CCCC[NH+]1CC(=O)NCCCc1ccccc1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN(C)C(=O)[C@@H]1Cc2[nH+]c[nH]c2CN1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[C@@H](N(CC[NH+]1C)C)[C@@H]([NH2+]C)C1CC1
### Response:
C[NH2+][C@@H](C1CC1)[C@H]1C[NH+](C)CCN1C |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCC(=O)[O-])cc1F
### Response:
5 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [10*]N1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1cc(OC)c(OC)c(OC)c1
Fragment 2: [14*]c1ccc(C)cn1
### Response:
COc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccc(C)cn2)cc(OC)c1OC |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C=CCNC(=O)Nc1ccc(NC(=O)c2cccc3[nH]ccc23)cc1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN1CCC([NH+](C)CCC(=O)[O-])CC1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(C(=O)[O-])(CC)(CC)C[C@@H](COC)O
### Response:
CCC(CC)(C[C@H](O)COC)C(=O)[O-] |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)CCl
Fragment 2: [8*]C(F)(F)F
### Response:
Cc1ccc2c(c1)/C(=N\OC(=O)CCl)C(=O)N2Cc1cccc(C(F)(F)F)c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(NCc1ccccc1Cn1cccn1)c1ccc([N+](=O)[O-])o1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
Cc1cc2c(cc1S(=O)(=O)[C@H](C)CC(=O)N1CCc3ccccc3C1)OCC(=O)N2
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
N#CCc1nc(-c2ccncc2)cs1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(C(=O)N[C@H]2CCCC[C@H]2C(C)(C)C)cc1OC
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(Nc1ccc2[nH]ccc2c1)C(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCC1CCC([NH+]2CCN(c3cc(C)nc4ncnn34)CC2)CC1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1cc2ccccc2o1
Fragment 2: [4*]C[C@]1(O)CCc2ccccc21
### Response:
C[C@H](NC[C@]1(O)CCc2ccccc21)c1cc2ccccc2o1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CCN(C[C@H]1O)C(=O)N[C@@H]1[C@@H](c2ccccc2OC)C1
### Response:
COc1ccccc1[C@H]1C[C@@H]1NC(=O)N1CCC[C@H](O)C1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCc1noc(CCCC(=O)Nc2ccc3c(c2)CC(=O)N3)n1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)c1C
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
CC[NH2+][C@H](c1cc(Cl)cnc1N)[C@H]1CSCCS1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(=O)[C@@]1(F)CCN(c2cccc(C(F)(F)F)n2)C1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cccc2c1[C@@]1(NC(N(C1=O)CC(c1c[nH]c3c(cccc31)CC)=O)=O)CCC2
### Response:
CCc1cccc2c(C(=O)CN3C(=O)N[C@]4(CCCc5ccccc54)C3=O)c[nH]c12 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[C@H](C)[NH+](C)CC(=O)N1CCNCC1
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@H]1CCC[C@@H](CC[NH2+][C@@H]2CCOC3(CCC3)C2)C1
### Response:
0 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCOC(C(=O)NN1CCCCC1)(c1ccccc1)c1ccccc1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
CC(=O)Nc1cccc([C@H](C)[NH2+]CCC(C)(C)O)c1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(SCC(N1Cc2c(cccc2)C[C@@H]1C([O-])=O)=O)C#N
### Response:
N#CCSCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(OC)cc1[16*]
Fragment 2: [5*]N(C)CC(F)(F)F
### Response:
COc1ccc(C(C)=O)c(OCC(=O)N(C)CC(F)(F)F)c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@]12CCC(=O)N1[C@@H](C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-])CS2
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=c1cc(C[NH+]2CCc3ccccc3[C@@H]2Cc2ccccc2)occ1[O-]
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cc(C)n2nc(SCC(=O)N3CCC(C(=O)[O-])CC3)nc2n1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cc(C[NH+]2CCC[C@@H](C(=O)NN)C2)ccc1OC(C)C
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
C=CCn1c(S[C@H](C)C(=O)N2CCC(C)CC2)nnc1-c1ccc(Cl)cc1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(-c2ccc(cc2)CC)csc(n1)NC(c1c(SCC(N2CCCC2)=O)cccc1)=O
### Response:
CCc1ccc(-c2csc(NC(=O)c3ccccc3SCC(=O)N3CCCC3)n2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC[C@H](C)NC(=O)NCCNC(=O)c1ccc(Br)cc1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1cc(C)c(NC(=O)c2cc(C)no2)cc1OC
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [12*]S(=O)(=O)c1ccc([16*])cc1
Fragment 2: [6*]C(C)=O
### Response:
CC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(C(=O)Nc4ccc(F)cc4)s3)C2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1
Fragment 2: [5*]Nc1ccc(Cl)cc1C
### Response:
Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@H](C(=O)N1CCCSC[C@H]1C[NH+](C)C)c1ccccc1
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@@H]1CCC[C@H](C)C1
Fragment 2: [1*]C(=O)c1ccc(Cl)cc1Cl
### Response:
C[C@H]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)NNC([6*])=O
Fragment 2: [16*]c1cccc(Br)c1
### Response:
CCNC(=O)NNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N([5*])CC
Fragment 2: [4*][C@@H](C)c1ccc([16*])cc1O
### Response:
CC[NH2+][C@@H](C)c1ccc(N(CC)c2ccccc2)cc1O |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CN(CC(C)(C)C)C(=O)c1ccc(CNC(=O)C2CCCC2)cc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]CC(=O)[O-]
Fragment 2: [5*]N1CCO[C@@H]([13*])C1
### Response:
Cc1cc(NC(=O)N2CCO[C@@H](CC(=O)[O-])C2)ccc1F |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1sccc1-n1cnnn1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1C[C@@H](C)CN(C(=O)CN(C)c2cccc3ccccc23)C1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
C[NH2+][C@@H]1[C@@H](CN2CCN(S(C)(=O)=O)CC2)CCCC1(C)C
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](Oc1ccccc1F)C(=O)NCC(=O)N1CCCC1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CC(=C/c1ccccc1)/C=N/NC(=O)CNC(=O)c1cccc(Br)c1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(COc1ccc(Cl)cc1Cl)N1CC[C@@H](c2ccccn2)C1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H]1CN(CCNC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)C[C@H](C)O1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1
Fragment 2: [8*]C([8*])c1ccncc1
### Response:
c1ccc([C@@H](c2ccncc2)c2ccccn2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
COc1ccc(N2C[C@H](c3nc(-c4oc5ccc(OC)cc5c4C)no3)CC2=O)cc1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN1CCO[C@H](CNc2cccc3c2CCCC3)C1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1OCCC2(OCC[C@H](C2)[C@@H]2[C@@H](CCCCC2)[NH3+])C1
### Response:
[NH3+][C@@H]1CCCCC[C@@H]1[C@@H]1CCOC2(CCOCC2)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H]1(N(CCC[C@H]1C)C(Nc1cnn(c1C)CCCC)=O)CO
### Response:
CCCCn1ncc(NC(=O)N2CCC[C@@H](C)[C@H]2CO)c1C |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
NC(=O)[C@H]1CC(C(=O)NC[C@@H]2CCCO2)=NN1c1ccc(F)cc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
C[C@@H](C[C@H]1CCCC[NH2+]1)Nc1ccc(CC(N)=O)cc1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(ccccc1)C(=O)N[C@H](CC(NCCc1c[nH]c2ccccc21)=O)C
### Response:
C[C@@H](CC(=O)NCCc1c[nH]c2ccccc12)NC(=O)c1ccccc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OC(F)(F)F
Fragment 2: [14*]c1ccc(F)cn1
### Response:
O[C@H](Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cn1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]Oc1cccc(C([7*])[O-])c1
Fragment 2: [4*]C[C@@H]1CCCO1
### Response:
N#C/C(C(=O)NC1CCCCC1)=C(\[O-])c1cccc(OC[C@@H]2CCCO2)c1 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
CC1=C[C@@H]([C@@H]2NN=C3SC(c4ccccc4)=NN32)N=N1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1F
Fragment 2: [13*][C@H]1[C@@H]([15*])C[C@]([13*])(C)N1C
### Response:
COC(=O)[C@]1(C)C[C@H](C(=O)[O-])[C@H](c2ccccc2F)N1C |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@H](O)[C@@H](C)Sc1cccc(C[NH2+]C(C)(C)C)c1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
CCSc1ccc(Cl)cc1C(=O)NCc1ccc(C(N)=O)o1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccccc1
Fragment 2: [1*]C(=O)N1CCN([5*])CC1
### Response:
CCCCN1C(=O)C[C@H](C(=O)N2CCN(C(=O)Nc3ccccc3)CC2)[C@@H]1c1ccc(OC)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CC1([15*])CC1
Fragment 2: [5*]Nc1cnccc1C#N
### Response:
CC(C)C1(CNc2cnccc2C#N)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CNC(=O)[C@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cccc(F)c1[16*]
Fragment 2: [16*]c1cccc(F)c1[16*]
### Response:
CC(=O)c1c(F)cccc1N[C@@H]1CCN(C(=O)c2ccccn2)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1C[C@@H]1NC(=O)[C@@H](C)CC1CCCC1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)C(C)(C)C
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)NCc1ccc(C(=O)N2CCCCC[C@@H]2c2cccn2C)cc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
COc1cc(Br)ccc1[C@H]([NH3+])C(=O)[O-]
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(CN(Cc1ccccc1)C(=O)Cn1nnc2ccccc21)Nc1ccc2c(c1)OCO2
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCn1c2ccccc2c2cc(C[NH2+]CCNC(=O)c3nonc3N)ccc21
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]C[S@@](C)=O
Fragment 2: [1*]C(=O)c1cccc([16*])c1
### Response:
Cc1cc(NC(=O)c2cccc(C[S@@](C)=O)c2)ccc1N1CC[NH+](C)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@H]1(NC(=O)C2CCN(S(=O)(c3ccccc3)=O)CC2)CCC[C@@H](C)[C@H]1C
### Response:
C[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1c(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)cnn1C(C)C
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(C(=C(Cl)Cl)Cl)OC([C@@H]1[C@@H](CC=CC1)C(=O)NCC=C)=O
### Response:
C=CCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)OCC(Cl)=C(Cl)Cl |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)(C)C(=O)COC(=O)c1ccccc1N1C(=O)[C@H]2CCCC[C@H]2C1=O
### Response:
4 |
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