task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@H](C)[C@@H](NS(=O)(=O)c1c(C)cc(C)cc1C)C(N)=O
### Response:
5 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC(C)C)cc2)C1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [10*]N1CCC(=O)N2CCCC[C@H]2C1=O
Fragment 2: [8*][C@H](CCC)COC
### Response:
CCC[C@H](COC)N1CCC(=O)N2CCCC[C@H]2C1=O |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(NCCc1ccccc1)C1CCN(C(=O)c2cc3oc(-c4ccccc4)cc3[nH]2)CC1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C[C@@H](CCc1ccccc1)NC(=O)c1nc2ccccc2c(=O)[nH]1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\c1ccccc1Cl
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC1(C)[C@@H]2CC[C@@]1(C(=O)Oc1ccc(Cl)cc1Cl)C(=O)C2
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
CC(C)([NH2+]CCCn1cncn1)c1ccc(Cl)cc1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(CN2C(=O)CCn3nccc32)cc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=[N+]([O-])c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1F
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccccc1F
Fragment 2: [5*]NCCC(=O)OC
### Response:
COC(=O)CCNC(=O)c1ccc(NC(=O)c2ccccc2F)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1cc(C)c(C[NH+]2CCC(N3CCCC3=O)CC2)cc1OC
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]C(C)(C)C[NH3+]
Fragment 2: [14*]c1ncc(Br)cc1C
### Response:
Cc1cc(Br)cnc1N1CCN(C(C)(C)C[NH3+])CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+](C)C1CCCC1
Fragment 2: [15*][C@@H]1CCC(C)(C)[C@H]1O
### Response:
C[NH+](C1CCCC1)[C@@H]1CCC(C)(C)[C@H]1O |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(C(=O)O[C@@H](C)c2nc3ccccc3n2C)ccoc1
### Response:
C[C@H](OC(=O)c1ccoc1)c1nc2ccccc2n1C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(c1c(C[NH2+]Cc2cocc2)ccc(c1)F)SC
### Response:
CSCc1cc(F)ccc1C[NH2+]Cc1ccoc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCc1ccc([14*])[nH+]c1
Fragment 2: [5*]NCC[8*]
### Response:
CC1CCN(c2ccc(CNC(=O)NCCn3cccc3)c[nH+]2)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1
Fragment 2: [4*]Cc1cnc(C)n1[9*]
### Response:
CCN(CCC(F)(F)F)Cc1cnc(C)n1-c1ccccc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1nc2c(s1)CCCC2
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1
Fragment 2: [4*]C[C@@H]([4*])C
### Response:
Cc1ccc(S(=O)(=O)NC[C@H](C)Oc2ccccc2)c(F)c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc(NC(=O)C[S@@](=O)CC(=O)Nc2ccc3c(c2)CCC3)cc1Cl
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cn([9*])nn1
Fragment 2: [1*]C(=O)c1ccc(C)c(C)c1
### Response:
Cc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(F)c(C)c4)nn3)CC2)cc1C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C[C@@H](C[C@H](c1cc(C2CC2)ccc1)O)C(=O)OC
### Response:
COC(=O)[C@@H](C)C[C@@H](O)c1cccc(C2CC2)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12cc(-c3nnc(n3CC=C)SCC(=O)Nc3cccc(c3)C)oc1cccc2
### Response:
C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1cc2ccccc2o1 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
COc1cccc(/C=N/c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1OC
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1Cc2c(CC1)sc1c2c(=O)[nH]c(CSc2nnnn2C2CCCC2)n1
### Response:
O=c1[nH]c(CSc2nnnn2C2CCCC2)nc2sc3c(c12)CCCC3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cnn(C[8*])c1
Fragment 2: [15*][C@H]1CCOC1
### Response:
C[C@H](OC(=O)c1cnn(Cc2ccccc2)c1)[C@H]1CCOC1 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)[O-])cc1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Clc1cccc(C2(NCc3nc4c(s3)CCC4)CC2)c1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C[C@@H](c1cnc(nc1C)C)N[C@@H]1CN(C(OC(C)(C)C)=O)C[C@@H]1OC
### Response:
CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1N[C@@H](C)c1cnc(C)nc1C |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCCCC1CCC(NC(=O)c2cnn(-c3ccc([O-])nn3)c2C)CC1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(NC(=O)[C@H](C)SC2=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N2)cc1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1(-c2nnc(cc2)N2CCOCC2)c2c(c(C)n1)[C@H](c1ccc(cc1)OCCC)CC(N2)=O
### Response:
CCCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(N3CCOCC3)nn2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C/C(Cc1ccccc1)=N\NC(=O)c1c[nH]c(=O)[nH]c1=O
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C1CC[C@H](C(=O)N2CCC[C@H]2c2ccc(F)cc2)N1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH2+]CC[7*]
Fragment 2: [4*]C/C=C/c1ccccc1
### Response:
CCc1nn(C)cc1C[NH2+]C/C=C/c1ccccc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)CCC(=O)[C@H](C#N)c1ncc(C(F)(F)F)cc1Cl
### Response:
7 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC[C@@](C)(NC(=O)NC(C)(C)C)c1ccccc1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
N#Cc1ccc(OCc2nc3ccccc3c(=O)[nH]2)cc1F
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COCCCNC(=O)Cn1cccc1[C@@H](C)O
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N[C@H](c1[nH]cc(C(=O)[O-])n1)c1ccccc1OC
### Response:
COc1ccccc1[C@H](N)c1nc(C(=O)[O-])c[nH]1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CN(CC(=O)N1CCNC1=O)Cc1ccccc1C(F)(F)F
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccccc1Cn1c(N)c(c(CCC)n1)CCC
### Response:
CCCc1nn(Cc2ccccc2)c(N)c1CCC |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CN(S(=O)(C[C@@H](C)CCl)=O)C[C@@H]1C
### Response:
C[C@@H]1CCN(S(=O)(=O)C[C@@H](C)CCl)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH+](Cc1ccc([S@](C)=O)cc1)C1CCC(C)(C)CC1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2F)SC1=S
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C1CC2(CCCCC2)C(=O)N1CC(=O)N(Cc1ccccc1)C1CC1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(OCC)N1CCN(Cc2n(c3c(n2)n(c(=O)n(c3=O)C)C)Cc2c(cccc2)Cl)CC1
### Response:
CCOC(=O)N1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)CC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccc4c(c3)OCO4)o2)cc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
C[NH+]1CCN(C(=O)c2ccccc2NC(=S)NC(=O)c2ccco2)CC1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@H](C)CS(=O)(=O)CC
Fragment 2: [5*][NH2+][C@@H]1C[C@H](C)CC[C@@H]1[15*]
### Response:
CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C(C)C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]CCc1ccccn1
Fragment 2: [14*]c1ccccn1
### Response:
Cc1cc(N2C[C@H]3OC(=O)N(CCc4ccccn4)[C@H]3C2)c2ccccc2[nH+]1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(C[C@H](C)[NH2+][C@H]2CCCC[C@@H]2C)cc1OC
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccccc1[C@@H]1C[C@@H]1n1c(=S)[nH]c2c1ncc(Br)c2
### Response:
S=c1[nH]c2cc(Br)cnc2n1[C@H]1C[C@H]1c1ccccc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [13*][C@H]1C=C(c2cccc([16*])c2)N=N1
Fragment 2: [3*]OCC
### Response:
CCOc1cccc(C2=C[C@H](C(=O)N/N=C/c3ccc(OC)cc3)N=N2)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]C(C)(C)C
Fragment 2: [5*][NH2+]Cc1ncn(C)n1
### Response:
Cn1cnc(C[NH2+]Cc2ccc(C(C)(C)C)cc2)n1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(-c2ccc(cc2)OC)oc(nn1)SCC(N[C@H](C)c1cc(Cl)c(cc1)Cl)=O
### Response:
COc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3ccc(Cl)c(Cl)c3)o2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCCN1CCN(C(=O)CCn2c(=O)c3cccn3c3cccnc32)CC1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12C(=O)CCCc2ccc(NC(=O)N[C@H](CCOC)C)c1
### Response:
COCC[C@H](C)NC(=O)Nc1ccc2c(c1)C(=O)CCC2 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(CC(=O)N2CCc3ccccc3C2)C1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCn1c(SCC(=O)c2ccc(OC)cc2)nc2ccccc21
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1cc(C)nc([14*])n1
Fragment 2: [15*]C1CC[NH2+]CC1
### Response:
Cc1cc(-c2ccc(S(C)(=O)=O)cc2)nc(C2CC[NH2+]CC2)n1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(C)cc(c1Cl)O[C@@H](C)C(=O)N[C@H]1[C@H](Cc2c1cccc2)O
### Response:
Cc1ccc(Cl)c(O[C@@H](C)C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1n(-c2ccc(cc2)C)cc(c1-c1ccccc1)C(=O)N1CCN(C([C@@H]2OCCC2)=O)CC1
### Response:
Cc1ccc(-n2cc(C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)c(-c3ccccc3)n2)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(NC)c1ccc(o1)C[NH+]1CCC(=CC1)[C@@H](C)N(C)C(C)=O
### Response:
CNC(=O)c1ccc(C[NH+]2CC=C([C@@H](C)N(C)C(C)=O)CC2)o1 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
C[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)c1ccc(-n2cccn2)cc1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)c1ccc2c(c1)[C@]1(CC(O)=Nc3c1cnn3Cc1ccccc1Cl)C(=O)N2C
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N([5*])CC
Fragment 2: [4*]C[C@@H](C)CC
### Response:
CC[C@H](C)CN(CC)S(=O)(=O)c1cc(F)ccc1N |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [11*]Sc1nnc2c(n1)O[C@@H](CC)Nc1ccccc1-2
Fragment 2: [4*]CCCC
### Response:
CCCCSc1nnc2c(n1)O[C@@H](CC)Nc1ccccc1-2 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
CO/N=C/c1ccc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)cc1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(CSc1ccnc(C(=O)[O-])c1)NNc1ccccn1
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cccc(Nc2ccccc2C(=O)NNC(=O)C(=O)NC(C)C)c1C
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cc(Cl)c([16*])c(OC)c1
Fragment 2: [8*]C[NH2+]C
### Response:
C[NH2+]Cc1cc(Cl)c(OCCC(C)C)c(OC)c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cccc(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1c(N(C)C)ncc(-c2cccc(c2)Cl)c1C1CCN(CC1)C(=O)C[C@@H]1CCCCO1
### Response:
CN(C)c1ncc(-c2cccc(Cl)c2)c(C2CCN(C(=O)C[C@@H]3CCCCO3)CC2)n1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)([C@@H](N)[C@H]1CCc2cccnc21)[NH+]1CCCCCC1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*]C1C(C)(C)C1(C)C
Fragment 2: [16*]c1cccc(C(N)=S)c1
### Response:
CC1(C)C(NS(=O)(=O)Cc2cccc(C(N)=S)c2)C1(C)C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cc(OC)ccc1Br
Fragment 2: [5*]N[C@@H](CCC)C(=O)OC
### Response:
CCC[C@H](NC(=O)c1cc(OC)ccc1Br)C(=O)OC |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1C[C@@H](OC1)C(Nc1ccc(cc1)NCc1ccc(cc1)F)=O
### Response:
O=C(Nc1ccc(NCc2ccc(F)cc2)cc1)[C@H]1CCCO1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(C(NC[C@H]2CCC[C@@H](O)C2)=O)c(O)ccc(C)c1
### Response:
Cc1ccc(O)c(C(=O)NC[C@H]2CCC[C@@H](O)C2)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(C)=O
Fragment 2: [5*]N1CCc2ccccc21
### Response:
CC(=O)N[C@@H](CC(=O)OCC(=O)N1CCc2ccccc21)c1ccc(Cl)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCC[C@]([15*])(CO)C1
Fragment 2: [4*]Cc1[nH]cc(C)c(=O)c1C
### Response:
COCC[C@]1(CO)CCCN(Cc2[nH]cc(C)c(=O)c2C)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12n(c(c(c(n2)N2CCCC2)/C=N/NC(c2ccncc2)=O)=O)cccc1C
### Response:
Cc1cccn2c(=O)c(/C=N/NC(=O)c3ccncc3)c(N3CCCC3)nc12 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1ccc([C@@H](Cl)[C@H]2CCO[C@@H]2C)c2ccccc12
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H](Nc1ccc(Oc2ccc(C#N)cc2)cc1)c1nc(C2CC2)no1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1cccs1
Fragment 2: [5*]N1CCOCC1
### Response:
C[NH2+][C@H](c1cccs1)C(C)(C)N1CCOCC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(Cn1nccc1)CCCN1CCn2c([C@@H]1c1ccccc1)ccc2
### Response:
c1ccc([C@H]2c3cccn3CCN2CCCCCn2cccn2)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC[C@@](C)([NH3+])c1nc(-c2ccc(C)c(F)c2)no1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCCC
Fragment 2: [14*]c1nc2ccccc2s1
### Response:
CCCNC(=O)C[S@@](=O)Cc1nc2ccccc2s1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCCCn1nc(C)c(C(=O)N[C@H](C)Cc2ccco2)c1Cl
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
O=C(C[NH+](Cc1ccncc1)C1CC1)NCc1cc(F)cc(F)c1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCO[C@H](C)C(=O)OCC(=O)NC(C)C
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)NCC(=O)N[C@@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C1=Cc2ccccc2OC1
Fragment 2: [4*][C@@H](CCN[5*])C(C)C
### Response:
CCO[C@@H](CCNC(=O)C1=Cc2ccccc2OC1)C(C)C |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(OC)c(N/C([S-])=[NH+]\N2CCOCC2)c1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCCC[8*]
Fragment 2: [1*]C(=O)CC[8*]
### Response:
O=C(CCc1ccccc1O)NCCCn1cccn1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)(C)Oc1ccc(C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)cc1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1C[NH+](CCNC(NCC(C)(C)c2ccncc2)=O)CCC1OC
### Response:
COC1CC[NH+](CCNC(=O)NCC(C)(C)c2ccncc2)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N(C)C[8*]
Fragment 2: [4*]Cc1ccc(C)s1
### Response:
Cc1ccc(CN(C)C(=O)NCC(=O)Nc2ccc(Cl)cc2)s1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=S(=O)(NCc1ccc2c(c1)OCCO2)C1CCOCC1
### Response:
3 |
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