task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [10*]N1CCCC1=O
Fragment 2: [5*]Nc1ncnc2c1ncn2[9*]
### Response:
Cc1cccc(-n2cnc3c(NCCCN4CCCC4=O)ncnc32)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(=O)c1csc(NC(=O)c2cnc([C@H]3CCCO3)s2)c1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN(C[C@@H](C)C#N)C(=O)c1cc(-c2ccc(F)cc2)c(C)s1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(Cl)s2)cc1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C[4*]
Fragment 2: [16*]c1ccc2c(c1)OCCO2
### Response:
O=C(CSc1nnc(-c2ccc3c(c2)OCCO3)o1)N1CCCc2ccccc21 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1C#N
Fragment 2: [1*]C(=O)C[4*]
### Response:
COc1cc(CNC(=O)COc2ccccc2C#N)ccn1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1c([14*])nc2c(C)nn(C)c21
Fragment 2: [8*]C[C@@H]([8*])C
### Response:
Cc1nn(C)c2c1nc([C@@H](C)Cl)n2[C@@H](C)Cn1ccnc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Clc1cc(ccc1)[C@@H]1[C@@H](C1)NC(=O)CCc1c([nH]c(C)nc1C)=O
### Response:
Cc1nc(C)c(CCC(=O)N[C@@H]2C[C@@H]2c2cccc(Cl)c2)c(=O)[nH]1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C([O-])c1ccc([C@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@H]32)cc1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
NC(=S)C1(NC(=O)N2CCCCC2)CCCCCCC1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(-c2cc(C(=O)N3CCc4ccccc4C3)n[nH]2)cc1S(=O)(=O)N1CCCC1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
C[C@@H](c1ccco1)N(C(=O)Nc1cccc(N2CCCCC2)c1)C1CC1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(cccc1)CSC1[N-]N2[C@H](C(C(=O)N)=C([NH+]=C2N=1)C)c1cc(Br)ccc1
### Response:
CC1=C(C(N)=O)[C@H](c2cccc(Br)c2)N2[N-]C(SCc3ccccc3)=NC2=[NH+]1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COC(=O)c1c(C)nn2c1ncc1c(=O)n(N3CC[NH+](C)CC3)ccc12
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[C@@H]([NH+](CC1)Cc1c2NCCCn2nc1)c1ccc2OCOc2c1
### Response:
c1cc2c(cc1[C@H]1CCC[NH+]1Cc1cnn3c1NCCC3)OCO2 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
CCNC(=O)c1cccc(CNC(=O)NCCNC(C)=O)c1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(CCCn1nccc1)Nc1nc(CN2CCN(C(=O)C)CC2)ccc1
### Response:
CC(=O)N1CCN(Cc2cccc(NC(=O)CCCn3cccn3)n2)CC1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
CCc1cccc(Oc2ccc(NC(=O)N[C@@H]3CCCC[C@@H]3O)cn2)c1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ncc([N+](=O)[O-])s1
Fragment 2: [1*]C(=O)C(CC)CC
### Response:
CCC(CC)C(=O)Nc1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C1CCCCC1
Fragment 2: [16*]c1c(Cl)cccc1C#N
### Response:
N#Cc1cccc(Cl)c1N1CCC(NC(=O)C2CCCCC2)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CSC[C@@H](C)NC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](C(=O)Nc1ccc(CN2CCOCC2)cc1)c1ccc2ccccc2c1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
FC(F)COc1cccc(n1)CNC(=O)Cn1c(C)cc(C)n1
### Response:
Cc1cc(C)n(CC(=O)NCc2cccc(OCC(F)F)n2)n1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)(C)c1cc(C(=O)NNS(=O)(=O)c2cccnc2)[nH]n1
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC[NH+](CC)CC(=O)Nc1c(C)ccc2nsnc12
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CCN(Cc1sccc1)C(c1c(C)c(C(=O)C)c([nH]1)C)=O
### Response:
CCN(Cc1cccs1)C(=O)c1[nH]c(C)c(C(C)=O)c1C |
functional_group | ### Instruction:
Does the molecule contain a amine group?
O=C([O-])CCCOc1ccc([N+](=O)[O-])cc1F
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1Cc2[nH]c3ccccc3c2CN1C(c1c(OC)cc(c(c1)OC)OC)=O
### Response:
COc1cc(OC)c(C(=O)N2CCc3[nH]c4ccccc4c3C2)cc1OC |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@@H](NC(=O)C(=O)Nc1cnc(C(C)(C)C)nc1)c1nc(C)cs1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CC([6*])=O
Fragment 2: [8*]C(F)(F)F
### Response:
Cc1ccc(C(=O)CSc2ncc(C(F)(F)F)cc2Cl)cc1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
Cc1nc2ncnn2c(C)c1CCC(=O)Nc1cccc(C2[NH+]=c3ccccc3=[NH+]2)c1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1cc(C(=O)Oc2ccc3cc(C(N)=O)c(=O)oc3c2)cc(OC)c1OC
### Response:
0 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Oc1ccc(C2[NH+](Cc3ccccc3)CC[NH+]2Cc2ccccc2)c(O)c1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)c2ccc(C)cc2)CC1
### Response:
5 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1ncccc1[16*]
Fragment 2: [16*]c1ccc(C)cc1C
### Response:
Cc1ccc(-c2ncccc2C(=O)[O-])c(C)c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
[NH3+][C@H](C(=O)[O-])[C@H](O)c1ccc(F)cc1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(C)c(F)c(cc(c1)CNCC(=C)Cl)C
### Response:
C=C(Cl)CNCc1cc(C)c(F)c(C)c1 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
COc1ccc(C(=O)CSc2nc3cc(C)ccc3cc2C#N)cc1OC
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccsc1
Fragment 2: [6*]C(N)=O
### Response:
C[C@H](CNS(=O)(=O)c1cccc(C(N)=O)c1)c1ccsc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(ccc2nc(NC[C@@H](c3nc(no3)-c3ccccc3)C)ccc2c1)C#N
### Response:
C[C@@H](CNc1ccc2cc(C#N)ccc2n1)c1nc(-c2ccccc2)no1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@@H]([8*])C
Fragment 2: [16*]c1ccsc1
### Response:
Cc1ccc([C@H](C)N(C)C(=O)[C@H](C)c2ccsc2)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Cc1ccc(s1)[C@H]1OCC[C@@H]1CCl
### Response:
Cc1ccc([C@H]2OCC[C@@H]2CCl)s1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
C[C@H](C(=O)O[C@H]1C(=O)N(c2ccccc2)CC1(C)C)N1C(=O)c2ccccc2C1=O
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CN2C(=O)CCC2=O)c1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
C/C(=C(/C#N)C(N)=O)c1ccccc1F
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*]C1CCCC1
Fragment 2: [8*]C[C@@H](C)C(=O)NNc1ccc(F)cc1
### Response:
C[C@H](CC1CCCC1)C(=O)NNc1ccc(F)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CNC(=O)CC1CCN(C(=O)COc2cc(C)ccc2C)CC1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc([16*])cc1
Fragment 2: [3*]OC(C)C
### Response:
CC(C)Oc1ccc([C@@H](O)c2ccc(F)cn2)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(cc([C@H](C)NC(=O)CNC(=O)N)c(s1)C)C
### Response:
Cc1cc([C@H](C)NC(=O)CNC(N)=O)c(C)s1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
CC(C)c1ccc(CN(C)C(=O)NCCCn2cccn2)cc1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
NC(c1c(cccc1N1C[C@@H](C)CS1(=O)=O)F)=S
### Response:
C[C@@H]1CN(c2cccc(F)c2C(N)=S)S(=O)(=O)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cn1nccc1CNC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(SCC)[C@@H]([NH2+]Cc1cccc(-n2nccc2)c1)C
### Response:
CCSC[C@H](C)[NH2+]Cc1cccc(-n2cccn2)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2ccncc2)n1C
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1nc2c(C)cccc2s1
Fragment 2: [4*][C@H](C)c1cccc(F)c1
### Response:
Cc1cccc2sc(N[C@H](C)c3cccc(F)c3)nc12 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*][C@@H]1C[C@H]1C
Fragment 2: [16*]c1cccc([16*])c1
### Response:
CCCCOc1cccc(NC(=O)N[C@@H]2C[C@H]2C)c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCC[C@@H]([NH3+])C(=O)Nc1cc(CC)ccc1O
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
O=C(Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1)c1cccnc1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(cc(Cl)cc1Cl)O[C@H](C)C(N1CCNC(=O)[C@@H]1CC)=O
### Response:
CC[C@H]1C(=O)NCCN1C(=O)[C@@H](C)Oc1cc(Cl)cc(Cl)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[O-]C([C@H]1[C@H](C)N(CC1)C(=O)c1c(=O)n(nc(C)c1C)C)=O
### Response:
Cc1nn(C)c(=O)c(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H]2C)c1C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c([N+]([O-])=O)cc(c(OC)c1)-c1oc(/C=C(/C(=O)OCC)C#N)cc1
### Response:
CCOC(=O)/C(C#N)=C/c1ccc(-c2cc([N+](=O)[O-])ccc2OC)o1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1cccc(C(=O)NNC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])c1
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
O=C(c1cn(-c2ccccc2)nn1)N1CCCCCC1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccccc1N/C(=N\C(=O)c1ccc(C)cc1)NCc1ccccn1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@H]1C[NH2+]C[C@@H]1C
Fragment 2: [3*]OCC
### Response:
CCOC(CNC(=O)[C@H]1C[NH2+]C[C@@H]1C)OCC |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(CN1[C@H](c2ccc(F)cc2)C(C(=O)c2ccc(cc2)OC)=C(C1=O)[O-])c1c2ccccc2[nH]c1
### Response:
COc1ccc(C(=O)C2=C([O-])C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccc(F)cc2)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[N+](=O)([O-])c1cc(ccc1C(=O)O[C@H](C#C)C)Br
### Response:
C#C[C@H](C)OC(=O)c1ccc(Br)cc1[N+](=O)[O-] |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[NH2+]C(C)(C)C(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-]
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)N1CCOc2ccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)cc21
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[NH2+]CCc1cn(C[C@H]2CCCO2)cn1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(N1C(=O)[C@@H]2CCCN2C([C@H]1C)=O)c1cc(ccc1)F
### Response:
C[C@@H]1C(=O)N2CCC[C@H]2C(=O)N1Cc1cccc(F)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*]C1C[C@H]2CC[C@@H](C1)[NH2+]2
Fragment 2: [1*]C(=O)C[8*]
### Response:
O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@@H]1CCCc2occc21 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1N(C)C)CO2
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Nc1nc(NC2CC2)cc(-c2ccccc2CN2CCOCC2)n1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(Cl)ccc(cc1)OCCSCC[NH3+]
### Response:
[NH3+]CCSCCOc1ccc(Cl)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(CCN1c2ccccc2Sc2ccccc21)N[C@H]1CCCc2ccccc21
### Response:
5 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOC(=O)c1cnc2ccc(Cl)nc2c1Cl
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H]1(NC(c2cc3[nH]ccc3cc2)=O)c2c(CCC1)occ2
### Response:
O=C(N[C@H]1CCCc2occc21)c1ccc2cc[nH]c2c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [13*][C@@H]1CCCO1
Fragment 2: [1*]C(=O)C[8*]
### Response:
COc1ccc([C@H]2CCCN2C(=O)C[C@@H]2CCCO2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C(C)(C)C
Fragment 2: [5*]Nc1c[nH]c(=O)[nH]c1=O
### Response:
CC(C)(C)C(=O)Nc1c[nH]c(=O)[nH]c1=O |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
O=C([O-])c1nc2ccc(Cl)cc2cc1F
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
CC1(C)CCC([C@@H]([NH3+])c2cscc2Br)CC1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1nc(C)cs1
Fragment 2: [11*]Sc1ccc(N)cc1Cl
### Response:
Cc1csc(CSc2ccc(N)cc2Cl)n1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCC[8*]
Fragment 2: [10*]N1C(=O)N[C@@]([13*])(C)C1=O
### Response:
Cc1cc(OCCN2C(=O)N[C@](C)(c3ccccn3)C2=O)ccc1C(C)C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]C[C@@H]1[NH2+]CCc2cc(O)c(OC)cc21
Fragment 2: [16*]c1ccc(OC)cc1
### Response:
COc1ccc(C[C@@H]2[NH2+]CCc3cc(O)c(OC)cc32)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
NC(=[NH2+])N/N=C/c1c(F)cccc1Cl
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+]1CCCCC1
Fragment 2: [1*]C(=O)C[4*]
### Response:
Cc1ccc(CCCOC(=O)C[NH+]2CCCCC2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
Cn1c(C[NH3+])nnc1S[C@@H]1CCOC2(CCCC2)C1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccccc1-n1c(S[C@H](C)C(N)=O)nnc1-c1cccs1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cnc(Cl)c(C)c1
Fragment 2: [1*]C(=O)c1cn(C)nc1[14*]
### Response:
Cc1cc(NC(=O)c2cn(C)nc2C(C)(C)C)cnc1Cl |
functional_group | ### Instruction:
Does the molecule contain a amine group?
Cc1ccc2c(c1)CCN2C(=O)Nc1ccc2c(c1)OCO2
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [11*]Sc1ccc(C=O)c(C)c1
Fragment 2: [11*]Sc1cc2ccccc2[nH]1
### Response:
Cc1cc(Sc2cc3ccccc3[nH]2)ccc1C=O |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC(=O)NCCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCOc2ccccc2C1
Fragment 2: [1*]C(=O)C1C(C)(C)C1(C)C
### Response:
CC1(C)C(C(=O)N2CCOc3ccccc3C2)C1(C)C |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@H](NC(=O)c1ccc(C#N)cn1)C(=O)N1CCOCC1
### Response:
4 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
C[NH+](Cc1ccccc1)CC(C)(C)Nc1cncc(C(N)=O)n1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(NC[C@@H](O)C1CCCCC1)c1ccc2c(c1)OCO2
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCN([5*])CC1
Fragment 2: [12*]S(=O)(=O)c1cc(C)ccc1OC
### Response:
CCNc1nc(C)cc(N2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)n1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCCC[NH+]1CCC[C@@H](c2nc3ccccc3o2)C1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(CCNc2nc3ccc(Cl)cn3n2)cc1
### Response:
2 |
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