task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(NCc2ccc3c(c2)OCO3)c(C=O)c(=O)n1C[C@@H]1CCCO1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1(=[NH+][C@]2(c3ccc(O)cc3O[C@H](C2)c2ccccc2)CC(C)(N1)C)[S-]
### Response:
CC1(C)C[C@]2(C[C@H](c3ccccc3)Oc3cc(O)ccc32)[NH+]=C([S-])N1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cccc([16*])c1
Fragment 2: [3*]OCC
### Response:
CCOC[C@@H]1CCN(C(=O)c2cccc(-c3csc(C)n3)c2)C1 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C)C2)c1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(n(c(C)nc2c1sc1c2ccc(-c2ccccc2)n1)CC(Nc1cccc(Cl)c1)=O)=O
### Response:
Cc1nc2c(sc3nc(-c4ccccc4)ccc32)c(=O)n1CC(=O)Nc1cccc(Cl)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1nc2n(nc(c2cc1NC(c1oc(cc1)Br)=O)C)C
### Response:
Cc1nn(C)c2ncc(NC(=O)c3ccc(Br)o3)cc12 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C([C@@H](C(N([C@@H](c1oc2ccccc2c1)C)C)=O)C)[NH2+]C
### Response:
C[NH2+]C[C@H](C)C(=O)N(C)[C@H](C)c1cc2ccccc2o1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]Oc1cccc(C)c1
Fragment 2: [5*]Nc1ccc(C)c(C)c1
### Response:
Cc1cccc(OCC(=O)Nc2ccccc2C(=O)Nc2ccc(C)c(C)c2)c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1nc(Cl)cc(Oc2ccc(Cl)c3ccccc23)n1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(CN1CCOCC1)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)CO)C2)c1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C#CCCN1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(ccccc1-c1n(c2c(n1)cc(C(=O)N1CCC[C@@H](CO)C1)cc2NC(C)=O)CC)F
### Response:
CCn1c(-c2ccccc2F)nc2cc(C(=O)N3CCC[C@@H](CO)C3)cc(NC(C)=O)c21 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cccc(/C=C(/CCC(=O)[O-])C(=O)[O-])c1
### Response:
5 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1nc(C2CCCC2)sc1-c1nc(-c2ccc(C#N)cn2)no1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(Cn1ccccc1=O)N1CCN(Cc2cccc(Cl)c2)CC1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1([nH]c2c(c(CNC([C@@H]3C[NH+](C)CCC3)=O)c1)cccc2)=O
### Response:
C[NH+]1CCC[C@H](C(=O)NCc2cc(=O)[nH]c3ccccc23)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1noc(-c2ccc3c(c2)OCO3)c1C(=O)NCCc1cccc(Cl)c1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(Cn1c(=S)[nH]c2ccccc2c1=O)N1CCN(c2ccc(F)cc2)CC1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(C)cc1NC(=O)COc1ccc(Cl)c(Cl)c1
### Response:
2 |
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@@H]1C[C@H]1[15*]
### Response:
CN(Cc1nccn1Cc1ccccc1)C(=O)[C@@H]1C[C@H]1c1cccc(F)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(F)cc1
Fragment 2: [4*]CCCC([6*])=O
### Response:
O=C(CCCSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)c1ccc(F)cc1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC1(C)CCC[C@H]1NC(=O)C[C@@H]1C[NH2+]CCO1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Fc1cccc(c1)S(=O)(=O)NCCNc1nnc(cc1)-n1nccc1
### Response:
O=S(=O)(NCCNc1ccc(-n2cccn2)nn1)c1cccc(F)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@@H]1CC[NH+]([5*])[C@H](C)C1
Fragment 2: [4*]Cc1ccccc1
### Response:
Cc1cc(C)c(NC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)c(C)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cn(CC(=O)NCc2ccc3c(c2)OCO3)c(C[NH+]2CCCCC2)cc1=O
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
COc1ccccc1C[NH+](C)[C@@H](C)c1ccc(C(=O)[O-])o1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)(C)c1nc(O)c2nnn(C3CCN(C(=O)c4c(F)cccc4F)CC3)c2n1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H](CNC(=O)N1CCN(S(C)(=O)=O)CC1)N1CCOCC1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N([5*])C1CC1
Fragment 2: [4*]Cc1ccccc1OC
### Response:
COc1ccccc1CN(C(=O)c1cc(F)c(F)c(F)c1F)C1CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN(CCC#N)C(=O)C[NH+]1CCC[C@@H]1c1cccc(N(C)C)c1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1cnnc1S[11*]
Fragment 2: [4*]CC1=c2c(C)c([14*])sc2=NC(=O)C1
### Response:
Cc1c(C(=O)[O-])sc2c1=C(CSc1nncn1-c1ccccc1)CC(=O)N=2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[C@H]1CCCCN1C(=O)Cc1c[nH]c2ccc(OC)cc12
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1nc(CC)no1
Fragment 2: [1*]C(=O)CCC[8*]
### Response:
CCc1noc(CCCC(=O)Nc2ccc3c(c2)CC(=O)N3)n1 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
Cc1ccc(C(=O)CSc2ncc(C(F)(F)F)cc2Cl)cc1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1N(CCN(C1)C(=O)COC)C(=O)NC[C@@H]1C[NH+](CC(F)(F)F)CC1
### Response:
COCC(=O)N1CCN(C(=O)NC[C@H]2CC[NH+](CC(F)(F)F)C2)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(S(=O)(=O)C)ccc(cc1)C(=O)Nc1sc(SCc2ccc(Cl)cc2)nn1
### Response:
CS(=O)(=O)c1ccc(C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCc1nc(C)c(C(=O)Oc2cccc(C(=O)N(C)C)c2)s1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [6*]C(=O)NNC(=O)C[8*]
Fragment 2: [16*]c1ccccc1[N+](=O)[O-]
### Response:
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccccc1[N+](=O)[O-] |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH+](C)[C@H]1CC[C@H](NCc2cnc(C3CCCC3)s2)C1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C[C@H](NC(=O)c1cc(C#N)cn1C)c1ccc(OCC(F)(F)F)cc1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H]1CCc2sc(C(=O)Nc3cc(F)ccc3F)cc2C1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
Cc1cc(N2CC[C@@H](N[C@H](C)c3cccnc3Cl)C2=O)n(C)n1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccc(Cl)cc1Cl
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
Oc1ccccc1[C@@H]1C=C(c2ccc3c(c2)OCCO3)N=[NH+]1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
COc1cc(CC[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)ccc1O
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc([C@@H]2CC(Nc3n(-c4nncc(n4)-c4ccc(cc4)Cl)nc(c32)C)=O)cc1
### Response:
Cc1nn(-c2nncc(-c3ccc(Cl)cc3)n2)c2c1[C@H](c1ccccc1)CC(=O)N2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C1NC2(CCCCCC2)C(=O)N1C[NH+](C1CC1)[C@H]1CCc2ccccc21
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(=O)[C@@H](C)CN(C)c1ncnc(OC)c1[N+](=O)[O-]
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(C)(C)Oc1ccc(C(=O)OCc2scc(n2)C2CC2)cn1
### Response:
CC(C)Oc1ccc(C(=O)OCc2nc(C3CC3)cs2)cn1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1[nH]c(C(=O)NC2CCCCCCC2)c(C)c1S(=O)(=O)N1CCCCCC1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccccc1[C@@]1(C(=O)N(C(C1)=O)Cc1cccs1)CC(=O)N1CCC[C@@H]1c1c(cccc1)OC
### Response:
COc1ccccc1[C@H]1CCCN1C(=O)C[C@]1(c2ccccc2)CC(=O)N(Cc2cccs2)C1=O |
functional_group | ### Instruction:
Does the molecule contain a amine group?
Nc1cccc(OCCSC[C@@H](O)CO)c1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CCSc1ccc(Cl)cc1C(=O)N1CC[S@](=O)C(C)(C)C1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCO[C@@H]1CCCN(C(=O)Nc2ccc(O[C@@H](C)CC)cc2)C1
### Response:
4 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
O=C([O-])[C@@H]1C=C[C@H](NC(=O)[C@@H]2Cc3ccccc3O2)C1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC1CC[NH+]([C@@H](C)CNC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)CC1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2)cc1F
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [6*]C(=O)CCC(=O)[C@H]([8*])C#N
Fragment 2: [14*]c1ccccn1
### Response:
Cc1ccc(C(=O)CCC(=O)[C@@H](C#N)c2ccccn2)cc1C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]C[C@@H]1CN([5*])C[C@H]([13*])O1
Fragment 2: [3*]OC[C@@H]1CN([5*])C[C@H]([13*])O1
### Response:
CC(C)(C)OC(=O)N1C[C@@H](COCc2ccccc2)O[C@@H](C(=O)[O-])C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1nccs1
Fragment 2: [16*]c1ccc(O)cc1
### Response:
O=C(Nc1nccs1)[C@H]1CCC[NH+]1C1CCC(c2ccc(O)cc2)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O(CCC(C)C)[C@H]1CC[NH+]([C@H](C(Nc2cc(F)ccc2)=O)C)C1
### Response:
CC(C)CCO[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2cccc(F)c2)C1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cccc(N2CCC(N3CCC[C@@H](CCC(=O)N4CCOCC4)C3)CC2)c1
### Response:
4 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC(C)(OC(=O)N[C@H](C)C(=O)Nc1nc(ccc1)C)C
### Response:
Cc1cccc(NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)n1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1cncc(c1)-c1c(cccc1)C(NCCCCN1C[C@@H](O[C@@H](C)C1)C)=O
### Response:
C[C@H]1CN(CCCCNC(=O)c2ccccc2-c2cncnc2)C[C@H](C)O1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CCSC1(CNC(=O)Nc2cc(-c3ccccc3)on2)CCOCC1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1nn(-c2ccccc2)c(CN2CC[NH+](C)CC2(C)C)c1C#N
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(S[C@@H](c2ccccc2)C(=O)Nc2cnc3n(C)nc(c3c2)C)ccc1
### Response:
Cc1nn(C)c2ncc(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)cc12 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2)s1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc(/N=C(\N)NC2=N[C@H](CC(=O)Nc3cc(C)ccc3C)C([O-])=N2)cc1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]C[C@@H]([4*])CC
Fragment 2: [4*][C@H](C)c1cnc2cc(C)nn2c1C
### Response:
CC[C@@H](CN[C@H](C)c1cnc2cc(C)nn2c1C)[NH+]1CCc2ccccc2C1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
COCc1ccccc1N[C@H](C)C[C@H]1CCCC[NH2+]1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Cc1cc(c2c([C@H](CCO2)[NH2+]C[C@@H]2CN(CC2)S(C)(=O)=O)c1)C
### Response:
Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)CCO2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [11*]Sc1cc(N)ccc1Cl
Fragment 2: [4*]Cc1cc(Br)ccc1OC
### Response:
COc1ccc(Br)cc1CSc1cc(N)ccc1Cl |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@@](C)([C@H](N)c1ccc(Cl)cc1)[NH+]1CCCCC1
### Response:
4 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@@H](CC1CCCC1)C(=O)NC1CCN(C(=O)c2ccco2)CC1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](Nc1ccc2c(c1)OCCO2)[C@H](C)C(=O)[O-]
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C1C[C@H](C)O[C@@H](C)C1
Fragment 2: [5*]N1CCCC[C@@H]1[13*]
### Response:
C[C@H]1CC(C(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)C[C@H](C)O1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCc1ccccc1NC(=O)Cn1nc2ccc(Sc3ccccc3)nn2c1=O
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nsc(N[C@H](C)c2cccs2)c1C(=O)[O-]
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
CC(C)C[C@H](CO)Nc1ccc([N+](=O)[O-])cc1Cl
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(F)cc1
Fragment 2: [5*]N[C@H](C)CCC
### Response:
CCC[C@@H](C)NC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(SC)C[C@@H](c1nnc2n1cccc2)NC(=O)c1ccncc1
### Response:
CSCC[C@H](NC(=O)c1ccncc1)c1nnc2ccccn12 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C=CCCN1C(=O)C(=O)c2cc(C(F)(F)F)ccc21
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CS[C@H](C)c1cccc(NC(=O)c2cc(F)ccc2F)c1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCN1C[C@H](C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)CC1=O
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
Cc1ccc(C[C@H](O)c2c(F)cc(Br)cc2F)cc1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[C@@H](C)[C@H](CCCC1)Nc1c(C#N)c(ccc1)F
### Response:
C[C@@H]1CCCCC[C@@H]1Nc1cccc(F)c1C#N |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H]([NH2+]CC1(CO)CCOCC1)c1ccc(N2CCOCC2)cc1Cl
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Brc1cc(CN[C@@H](c2ccccc2)c2ccccn2)cc2OCOc12
### Response:
Brc1cc(CN[C@@H](c2ccccc2)c2ccccn2)cc2c1OCO2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCOC(=O)[C@H](C)Oc1cccc2c(=O)[nH]ccc12
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@@H](C)O[3*]
Fragment 2: [5*]N([5*])CC
### Response:
CCN(CC(C)(C)O)C(=O)[C@@H](C)Oc1cccc(C(C)=O)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1oc2c(Cl)cc(C)cc2c1C
Fragment 2: [14*]c1csc(N)n1
### Response:
Cc1cc(Cl)c2oc(C(=O)NCCc3csc(N)n3)c(C)c2c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1nccs1
Fragment 2: [4*][C@@H]([8*])CN[5*]
### Response:
Cc1ccc([C@@H](CNC(=O)Nc2nccs2)N2CCOCC2)o1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C/C(=N/NC(=O)[C@H]1C=C(C(C)C)N=N1)c1cccs1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@@H]1[C@@H]([15*])[C@H]2C=C[C@@H]1[C@H]1C[C@@H]21
Fragment 2: [3*]OCC
### Response:
CCOc1ccccc1NC(=O)[C@H]1[C@@H]2C=C[C@@H]([C@@H]3C[C@H]23)[C@@H]1C(=O)[O-] |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(NCCn1ncc2c(N3CCCCC3)ncnc21)c1cnccn1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
COc1c(cc(cc1)Cl)N/C=C/C(c1ccc(cc1)OCC)=O
### Response:
CCOc1ccc(C(=O)/C=C/Nc2cc(Cl)ccc2OC)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(Cc1ccccc1)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1cccs1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
CN(C)S(=O)(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1
### Response:
No |
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