task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
functional_group | ### Instruction:
Does the molecule contain a amide group?
C/C(=C/C(=O)N(C)C[C@H]1CC[NH+](C)C1)c1ccc(F)cc1F
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@@H]1CCC[C@@H]2OCC[C@@H]21
Fragment 2: [1*]C(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C
### Response:
Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
CNS(=O)(=O)[C@H]1CCOC[C@@H]1Cc1c(F)cccc1Cl
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(F)cc1
Fragment 2: [5*]Nc1ccccn1
### Response:
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccccn1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
C#CCN1CCN(C(=O)NCCOCCC(C)C)CC1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(ccc(C)c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1)C(=O)OC
### Response:
COC(=O)c1ccc(C)c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc(C)cc1
Fragment 2: [4*]CC(=O)N/N=C1\C(=O)N(CCCC#N)c2ccccc21
### Response:
Cc1ccc(NCC(=O)N/N=C2\C(=O)N(CCCC#N)c3ccccc32)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
FC(F)(F)Oc1ccc(C[NH+](C)C[C@@H]2COCC2)cc1
### Response:
C[NH+](Cc1ccc(OC(F)(F)F)cc1)C[C@H]1CCOC1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
Cc1cc(C(F)F)n2ncc(C(=O)NCC3(c4cccc(F)c4)CCOCC3)c2n1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCCCOC(=O)CNc1cc(C)cc(F)c1
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CCN1CCO[C@H](c2nc3c(c(=O)[nH]2)CCCN3)C1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc(N2C(=O)N(Cc3ccc(Cl)cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [13*][C@H]1CSC(=O)N1
Fragment 2: [6*]C(=O)OC
### Response:
COC(=O)[C@H]1CSC(=O)N1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nc(C)c(C[NH2+]Cc2nc(C(C)(C)C)cs2)s1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
CC(C)([C@@H](N)c1ccc(Cl)s1)[NH+]1CCCCC1
### Response:
No |
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@H](C)n1c([14*])nc2c(C)nn(C)c21
### Response:
Cc1csc([C@H](C)n2c([C@H](C)Cl)nc3c(C)nn(C)c32)n1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
C#CCNCC(=O)N[C@@H](C)Cc1ccsc1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[NH+](Cc1ccccc1)[C@H]1CCCN(c2ccc(C#N)cn2)C1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cccc2c1OCC[C@H]2N[C@@H]1CCCn2nc(C)nc21
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(cccc1)-n1c(nnc1C)[C@H]1CCCCC[C@@H]1[NH3+]
### Response:
Cc1nnc([C@H]2CCCCC[C@@H]2[NH3+])n1-c1ccccc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@@](C)([NH3+])CN1CCO[C@H]2CCCC[C@@H]21
### Response:
4 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O(C(c1cccc(Br)c1)=O)C[C@@H](C#N)Cc1cccs1
### Response:
N#C[C@H](COC(=O)c1cccc(Br)c1)Cc1cccs1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)NCc2ccccc2C)C1
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
CC[C@H](Nc1cc(C)cc(F)c1)c1cccc([N+](=O)[O-])c1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
o1nc(CN2CC[NH+](CC2)Cc2cc(-c3ccccc3)ccc2O)cc1
### Response:
Oc1ccc(-c2ccccc2)cc1C[NH+]1CCN(Cc2ccon2)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH2+]C([8*])C1CC1
Fragment 2: [5*][NH2+]C[C@@H]1CCC[NH+]1[5*]
### Response:
CC(C)C[NH+]1CCC[C@H]1C[NH2+]C(C1CC1)C1CC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCOC(=O)c1cc(SC[C@@H](C)CO)ccc1N
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Oc1c(-c2n[nH]c3C(N(CCO)[C@@H](c32)c2ccc(c(OC)c2)OCC)=O)c(cc(C)c1)C
### Response:
CCOc1ccc([C@@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCO)cc1OC |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Nc1nc(COC(=O)[C@H]2COCCO2)nc2sc3c(c12)CCCCC3
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COC(=O)c1cccc(NCc2noc(-c3ccoc3)n2)c1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN(CC)S(=O)(=O)c1ccc(Nc2ccc3c(c2)OCCCO3)c([N+](=O)[O-])c1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1cccc[nH+]1
Fragment 2: [5*]N1CCN([5*])CC1
### Response:
N#C[C@H]1CCC[C@H]1N1CCN(c2cccc[nH+]2)CC1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
COC(=O)/C=C/C(=O)Nc1cc(C)cc(C)c1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccccc1C(=O)Nc1ccc(N2CCC(n3c(C)nc4cccnc43)CC2)c(C(=O)[O-])c1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H](c1ccncc1)N(C)C(=O)NCc1ccccc1OC(C)(C)C
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@H]1CN(C(=O)[C@@H](C)OCC(F)(F)F)CC[C@H]1c1ccccc1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(C(=O)NCC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(cc2c(c1)COC2)C(N1CCC[C@H](n2c(CC)[nH+]cc2)C1)=O
### Response:
CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccc3c(c2)COC3)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](C(=O)Nc1cccc2nsnc12)n1nc(-c2ccc(F)cc2)ccc1=O
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
CC1CCN(c2nc3c(c(=O)[nH]2)C[NH+](Cc2c(F)cccc2F)CC3)CC1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc2n(c(c(n2)Cl)CN(CCC(F)(F)F)CC)c1
### Response:
CCN(CCC(F)(F)F)Cc1c(Cl)nc2ccccn12 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12CC[C@H](c2cccc1)[NH2+][C@@H]1CC[C@@H](C1)[NH+](C)C
### Response:
C[NH+](C)[C@H]1CC[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(-c2cc(C(=O)N3CCC(O)(Cn4cc[nH+]c4)CC3)[nH]n2)cc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(ccc(c1)NC(C)=O)/C=C/C(N1[C@H](COC[C@@H]1C)C)=O
### Response:
CC(=O)Nc1ccc(/C=C/C(=O)N2[C@@H](C)COC[C@@H]2C)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CSCCCNC(=O)Nc1ccc(Br)cc1Cl
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(C)c2c(n1)oc1c(N3CC[NH+](CC(N)=O)CC3)ncnc12
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1N(C(Nc2cc3c(ccn3CC(=O)NC)cc2)=O)C[C@@H](COCC)C1
### Response:
CCOC[C@H]1CCN(C(=O)Nc2ccc3ccn(CC(=O)NC)c3c2)C1 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC(F)F)cc2)C1=O)c1ccc2c(c1)OCCO2
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(C[NH2+]C[C@H]2CCCO2)sc(-c2ccc(o2)C)cn1
### Response:
Cc1ccc(-c2cnc(C[NH2+]C[C@H]3CCCO3)s2)o1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CCc2c1nc1nc(C)nn1c2N1CCC(CC1)Cc1ccccc1
### Response:
Cc1nc2nc3c(c(N4CCC(Cc5ccccc5)CC4)n2n1)CCC3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(C[NH+]1CCC(OC[C@@H]2CCCO2)CC1)Nc1cccnc1Cl
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1nc(OCC(C)C)c(Cl)cc1C[NH2+]Cc1cccc2[nH]ccc12
### Response:
CC(C)COc1ncc(C[NH2+]Cc2cccc3[nH]ccc23)cc1Cl |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]O[C@@H]1CCCC[C@H]1[15*]
Fragment 2: [3*]OC1CCCC1
### Response:
O=C(NCC(=O)N1CCCC1)N[C@@H]1CCCC[C@H]1OC1CCCC1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(NC(C1CCCC1)C1CCCC1)c1cnc([C@@H]2CCCO2)s1
### Response:
4 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOc1ccccc1OC(=O)c1cc(Cl)c(OC)c(OC)c1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCN(CCO)c1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CN(Cc1ccc(N(C)C)cc1)Cn1nc(Nc2cccc(F)c2)sc1=S
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CNC(=O)c1ccc(C[NH2+][C@H](C)c2cccc(OC(C)C)c2)cc1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cccc(C[C@@H](O)[C@]2([NH+](C)C)CCC[C@H](C)C2)c1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)(C)c1ccccc1NC(=O)CNc1cc2c(cc1Cl)NC(=O)CO2
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(S(=O)(=O)[C@@H]2CS(=O)(=O)C[C@@H]2[NH+]2CCCC2)cc1C
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
COc1ccccc1C(=O)Nc1ccc(S(C)(=O)=O)cc1C
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)CNC(N)=O)C2)cc1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)[C@H]1/C=N/c1ccc(Cl)cc1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CN[C@@]1(CC[C@H]([NH+]2CCN(CC[NH+](C)C)CC2)C1)C(N)=O
### Response:
CN[C@]1(C(N)=O)CC[C@H]([NH+]2CCN(CC[NH+](C)C)CC2)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H]1(c2cc(cc(C(F)(F)F)c2)C(F)(F)F)Cn2cc(nc2CC1)C(=O)N1C[C@H](C)O[C@@H](C)C1
### Response:
C[C@H]1CN(C(=O)c2cn3c(n2)CC[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C3)C[C@H](C)O1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C1CCN(C([1*])=O)CC1
Fragment 2: [1*]C(=O)C1CCN([5*])CC1
### Response:
Cc1noc(CNC(=O)C2CCN(C(=O)NCc3ccc(F)cc3)CC2)n1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(N2CCC[C@H](NC(=O)C[NH+](C)C3CC3)C2=O)cc1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH+](C)CCN(C(=O)c1cnccn1)c1nc2c(F)cc(F)cc2s1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@H]([4*])CC
Fragment 2: [5*]NCc1ccccn1
### Response:
CC[C@@H](Oc1ccccc1OC)C(=O)NCc1ccccn1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H](NC(=O)C(=O)Nc1ccc(Cl)nc1)c1ccc(Cl)cc1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CON(C)C(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Fc1ccc(cc1CN1CC[NH+]([C@H](C)COC)CC1)Cl
### Response:
COC[C@@H](C)[NH+]1CCN(Cc2cc(Cl)ccc2F)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [11*]S[C@@H](C)CC
Fragment 2: [11*]SC[C@@H]([NH3+])CC(=C)C
### Response:
C=C(C)C[C@H]([NH3+])CS[C@@H](C)CC |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@]1(c2ccccc2F)C[NH+]=C(N)N1C[C@H]1CCCO1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(C)Oc1ccc(cc1)-c1csc(n1)/C(=C/Nc1ccccc1F)C#N
### Response:
CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3F)n2)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc(N2C(=O)c3ccccc3[C@@H]2Nc2cccnc2)nc1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCN(C)S(=O)(=O)c1c(C)nn(Cc2ccc(C(F)(F)F)cc2)c1C
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ncnc([14*])c1N
Fragment 2: [5*]Nc1ncnc(N[5*])c1N
### Response:
COCCCNc1ncnc(NC23CC4CC(CC(C4)C2)C3)c1N |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)[C@H](C)N(C(=O)NCc1ccco1)C1CC1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(NC(=O)[C@H](C)c2ccccc2)cc1
### Response:
0 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)[C@@H](NC(=O)N1CCCCCC1)c1ccc2c(c1)OCCO2
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
O=C1[NH+]=N[C@@H](S)N1C[C@@H]1CCCO1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cscc1C[NH2+][C@H]1CCC[C@@H](C)C1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [13*][C@H]1CCCCO1
Fragment 2: [8*]CS(=O)(=O)C[8*]
### Response:
O=S(=O)(Cc1ccccc1)C[C@H]1CCCCO1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(c1cc(-c2cc(Cl)ccc2OC)cc(OC)c1)[O-]
### Response:
COc1cc(C(=O)[O-])cc(-c2cc(Cl)ccc2OC)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]Oc1ccc(OC)cc1
Fragment 2: [1*]C(=O)C[4*]
### Response:
COc1ccc(OCC(=O)Nc2nnc(-c3cccc(Br)c3)o2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*]C1CC1
Fragment 2: [5*]N1CCCCCC1
### Response:
Cc1nn(C)c2c(N3CCCCCC3)nc(C3CC3)nc12 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc(F)c(N[5*])c1
Fragment 2: [15*][C@@H]1CCC[C@H]([15*])C1
### Response:
COC(=O)Nc1cc(NC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)ccc1F |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N(C)C[8*]
Fragment 2: [1*]C(=O)c1ccc2ccc(Cl)cc2n1
### Response:
CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc2ccc(Cl)cc2n1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
CCCC(=O)Nc1cccc(CNc2cc(-n3cccn3)nc(N)n2)c1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1N(C(Nc2sc(-c3c(cccc3)C)cn2)=O)C[C@H](C[NH+](C)CCC)C1
### Response:
CCC[NH+](C)C[C@@H]1CCN(C(=O)Nc2ncc(-c3ccccc3C)s2)C1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C([O-])[C@@H]1CCCCC[C@H]1NC(=O)N1CCS(=O)(=O)CC1
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
COc1ccc(-c2nc(CNS(=O)(=O)c3cccc(F)c3)cs2)cc1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1c2c(CC[C@H]1N[C@@H]1CC[NH2+]C1)cccc2
### Response:
c1ccc2c(c1)CC[C@@H](N[C@@H]1CC[NH2+]C1)C2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)(O)CNC(=O)c1c(F)ccc([N+](=O)[O-])c1F
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]Oc1ccc(F)cc1N[5*]
Fragment 2: [5*]Nc1cc(F)ccc1[16*]
### Response:
COc1ccc(F)cc1C(=O)Nc1cc(F)ccc1OCC(F)(F)F |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [7*]Cc1coc2ccccc2c1=O
Fragment 2: [7*]C1N=C(c2ccccc2C)OC1=O
### Response:
Cc1ccccc1C1=N/C(=C\c2coc3ccccc3c2=O)C(=O)O1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CCC1=CCCCC1
Fragment 2: [14*]c1ncccn1
### Response:
C/[NH+]=C(/NCCC1=CCCCC1)N1CCN(c2ncccn2)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1c(CCC(=O)NCc2ccnc(OC3CCC3)c2)cnn1C
### Response:
3 |
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