task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](N[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1cccc(O)c1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NS(=O)(=O)CC(C)C
Fragment 2: [4*]CC1(O)CCOCC1
### Response:
CC(C)CS(=O)(=O)NCC1(O)CCOCC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(C(=O)NC[C@H](c1cccn1C)[NH+](C)C)Nc1c(C)c(ccc1)Cl
### Response:
Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@H](c1cccn1C)[NH+](C)C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(N1C[C@@H](C(=O)Nc2cc(C)cc(c2)C)CC1=O)Cc1c[nH]c2c1cc(F)cc2
### Response:
Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Fc1cc2c(=O)c(cn(C)c2cc1N1C[C@H](C[C@@H](C1)C)C)S(=O)(=O)c1cc(C)ccc1C
### Response:
Cc1ccc(C)c(S(=O)(=O)c2cn(C)c3cc(N4C[C@@H](C)C[C@H](C)C4)c(F)cc3c2=O)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1(C(c2cc3c(OCO3)cc2)=O)CCN(c2cc(ccc2C)Cl)C(=O)[C@H]1C
### Response:
Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc3c(c2)OCO3)[C@H](C)C1=O |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(N1CC[C@@H]2CC[C@H](C1)[NH+]2C)(=O)NCc1ccccc1OC(C)(C)C
### Response:
C[NH+]1[C@H]2CC[C@@H]1CN(C(=O)NCc1ccccc1OC(C)(C)C)CC2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
c1ccc(-c2cc(N3C[C@@H]4[C@H](C3)[C@H]3CC[C@@H]4O3)c3ccccc3[nH+]2)cc1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[NH2+][C@@H](C)c1ccn(CCS(C)(=O)=O)c1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1nc2ccccc2[nH]1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a ester group?
CC(C)Oc1cccc(C(=O)Nc2nn(C)cc2C#N)n1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cccc([16*])c1
Fragment 2: [5*]N1CCSCC1
### Response:
CC(C)[C@@H](C)NC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cccs1
Fragment 2: [16*]c1ccccc1
### Response:
Cc1nn(-c2ccccc2)c(OC(=O)c2cccs2)c1S(=O)(=O)c1ccccc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CN1CC(=O)N(Cc2ccccc2Br)C1=O
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1(Cc2c(CC1)ccc(Cl)c2)C(COc1ccc(cc1OC)C)=O
### Response:
COc1cc(C)ccc1OCC(=O)N1CCc2ccc(Cl)cc2C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(ccc(c1)[C@@H](NC(NCC1(O)CCSCC1)=O)[C@H]1[C@H](C)C1)Cl
### Response:
C[C@@H]1C[C@H]1[C@H](NC(=O)NCC1(O)CCSCC1)c1ccc(Cl)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](N(C)C(=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1)C1(C)CC1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
O=C(c1ccno1)N1CCC(CNC(=O)C2(c3cccs3)CCCCC2)CC1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(NC[C@]1(O)CCCc2ccccc21)Nc1ccc(F)cc1F
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[O-]C(CN(CC(F)(F)F)C(N[C@H]([C@@H]1CCCO1)C)=O)=O
### Response:
C[C@H](NC(=O)N(CC(=O)[O-])CC(F)(F)F)[C@@H]1CCCO1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccncc1
Fragment 2: [16*]c1cccc(C)c1C
### Response:
Cc1cccc(NC(=S)NNC(=O)c2ccncc2)c1C |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)n1nccc1NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccccc1N1CCN(C(=O)c2ccc(COC(C)C)cc2)CC1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
[NH3+][C@H]1CCc2[nH]c3ccc(O)cc3c2C1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)N1CCC(CCC(=O)N2CCN(C3=[NH+]CC(C)(C)S3)CC2)CC1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
N#Cc1ccc(COc2c(N)cc(Cl)cc2Br)c(F)c1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(OC)c(OC)cc1[C@H](NC(=O)NC[C@@H]1CCC[C@@H]1O)C
### Response:
COc1ccc([C@@H](C)NC(=O)NC[C@@H]2CCC[C@@H]2O)cc1OC |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc([C@@H](CNC(=O)c2ccc[n+]([O-])c2)N2CCOCC2)cc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(Cl)c(ccc(c1)F)O[C@@H](C)C(=O)N[C@@H](C)c1ccccn1
### Response:
C[C@H](Oc1ccc(F)cc1Cl)C(=O)N[C@@H](C)c1ccccn1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccsc1[C@@H]1CCN(C(=O)c2nc3c(s2)CCCC3)C[C@H]1O
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]Oc1c([16*])cccc1[C@H]1C(C#N)=C(N)Oc2cc(C)[nH]c(=O)c21
Fragment 2: [3*]OCC
### Response:
CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)[nH]c(=O)c32)c1OCc1ccccc1Cl |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=[N+]([O-])c1cccnc1N(NC(C(=C(Cl)Cl)Cl)=O)C
### Response:
CN(NC(=O)C(Cl)=C(Cl)Cl)c1ncccc1[N+](=O)[O-] |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CCC
Fragment 2: [5*][NH2+][C@H]1CCN([5*])[C@H](C)[C@@H]1C
### Response:
CCC[NH2+][C@H]1CCN(c2ccsc2)[C@H](C)[C@@H]1C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(c(cc1[C@H]([C@H](C)[NH2+]C1CCN(c2sccn2)CC1)O)F)F
### Response:
C[C@H]([NH2+]C1CCN(c2nccs2)CC1)[C@H](O)c1ccc(F)c(F)c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccccc1[C@@H]1CCCN1C(=O)Cc1c[nH]c2cc(F)ccc12
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@@H](Oc1ccc(/C=N/NC(=O)c2ccc(I)c(O)c2)cc1)C(=O)[O-]
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
CSCC[C@@H]([NH3+])c1nc2ccc(Cl)cc2s1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(COC(=O)COc1ccc(Cl)cc1)Nc1ccc(F)cc1F
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(NNC(=S)NCc1cccs1)c1ccccc1O
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C[NH+]1CCN(CCCNC(=O)C(=O)c2ccc(Br)cc2)CC1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=C1CCCN1Cc1ccc(C[NH2+]Cc2c[nH]nc2-c2cccs2)cc1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccc(C(=O)N[C@H](C)C(=O)N[C@H]2CCC[C@H](C)C2)c1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(NCCc1ccncc1)c1cc(COc2cccc3cccnc23)on1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C1c2ccc(cc2N(C[C@@H](C)N1)C(c1cc(c(cc1)F)Cl)=O)F
### Response:
C[C@@H]1CN(C(=O)c2ccc(F)c(Cl)c2)c2cc(F)ccc2C(=O)N1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(OC)c(-c2cc(C(=O)NCC3CCN(S(C)(=O)=O)CC3)n(C)n2)c1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(C)c2c(C)c(oc2c1C)C(=O)NC[C@H](CCO)CCC
### Response:
CCC[C@@H](CCO)CNC(=O)c1oc2c(C)ccc(C)c2c1C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [7*]C(C)C
Fragment 2: [5*]Nc1ccccc1Cl
### Response:
COc1ccc(NC(=O)C=C(C)C)cc1S(=O)(=O)Nc1ccccc1Cl |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)c1ccc(NC(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc2ccc(OC)c(/C=C3/NC(=O)N(Cc4ccc(Br)cc4)C3=O)c2c1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1nn(C)c(C)c1Br
Fragment 2: [5*]NC(=S)NNC([6*])=O
### Response:
Cc1c(Br)c(C(=O)NNC(=S)N[C@@H]2CCC[C@H](C)[C@@H]2C)nn1C |
functional_group | ### Instruction:
Does the molecule contain a halide group?
Cc1ccc(-n2nnnc2SCC(=O)Nc2cccc3nsnc23)cc1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCC(CC)/C([O-])=N/S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCc1nc(C)c([C@@H](C)N(C)C(=O)NCCc2ccc(C)cc2)s1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(C(=O)Oc2ccc3nccnc3c2)cc1F
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [12*]S(=O)(=O)c1ccccc1[16*]
Fragment 2: [8*]C(F)(F)F
### Response:
O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(CNC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@@H]1CCN([5*])C1
Fragment 2: [16*]c1cc(Cl)ccc1OC
### Response:
COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)c2cccnc2)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]O/N=C(/N)[C@@H]1CCOC1
Fragment 2: [4*]Cc1ccc([N+](=O)[O-])cc1F
### Response:
N/C(=N/OCc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCOC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(cccc(C)c1OCC(=O)N/N=C/c1cc(cc(OC)c1O)Br)C
### Response:
COc1cc(Br)cc(/C=N/NC(=O)COc2c(C)cccc2C)c1O |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCSc1nnc(N)n1CC(=O)Nc1ccc(OC)c(OC)c1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1cc(=O)n2ccsc2[nH+]1
Fragment 2: [5*]N1CCN([5*])CC1
### Response:
O=C(Cc1cccs1)N1CCN(Cc2cc(=O)n3ccsc3[nH+]2)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCSc1cncc(Sc2nnc([C@H]3CCC[NH2+]C3)n2C(C)C)n1
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cc(C(=O)N(Cc2cccnc2)Cc2ccccc2C)c2ccccc2n1
### Response:
4 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CN(C)c1cccc(C(=O)OCC(=O)C(C)(C)C)c1
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(C[C@H](C)C[NH+](C)Cc2cn3cccnc3n2)cc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*]C1CC1
Fragment 2: [5*]N([5*])[C@@H]1CCCc2ccccc21
### Response:
C[C@@H]1CC(C(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)C[C@H](C)O1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N([5*])C1CC1
Fragment 2: [4*]CC#N
### Response:
N#CCN(C(=O)c1cc(Br)ccc1Cl)C1CC1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)cc1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(c(C)c(OC)c(-c2oc(c(n2)C[NH+](C)[C@H](C)c2nc(cs2)C)C)cc1)OC
### Response:
COc1ccc(-c2nc(C[NH+](C)[C@H](C)c3nc(C)cs3)c(C)o2)c(OC)c1C |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(NCc1cccc(OCC(F)F)n1)c1c[nH]c2ccccc12
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(ccc1C1(CNC([C@H]2CC(N(C2)c2ccc(C)cc2)=O)=O)CCOCC1)OC
### Response:
COc1ccc(C2(CNC(=O)[C@H]3CC(=O)N(c4ccc(C)cc4)C3)CCOCC2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1nnc2ccc(C(=O)NC[C@@H]3CC(=O)N(Cc4ccccc4)C3)cn12
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cccc(Br)c1
Fragment 2: [1*]C(=O)c1cc(C)nc2c1c([O-])nn2C
### Response:
Cc1cc(C(=O)N[C@H](C)c2cccc(Br)c2)c2c([O-])nn(C)c2n1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [7*]Cc1cc(C)n(C[8*])c1C
Fragment 2: [7*]C1C(=N)[N+]2=C(C)CSC2=NC1=O
### Response:
CC1=[N+]2C(=N)/C(=C\c3cc(C)n(Cc4ccccc4)c3C)C(=O)N=C2SC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+]1CCC[C@H](CO)C1
Fragment 2: [4*]Cc1ccc([N+](=O)[O-])c(NC)c1
### Response:
CNc1cc(C[NH+]2CCC[C@H](CO)C2)ccc1[N+](=O)[O-] |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccccc1OCCN(C)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CCOC[C@@H]1CCN(C(=O)Nc2ccc(COC(C)(C)C)cc2)C1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(CN1CCc2ccc(Cl)cc2C1)OC(C)C
### Response:
CC(C)OCCN1CCc2ccc(Cl)cc2C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC(C)[C@@H]1CN(C(C)(C)C[NH2+]1)Cc1ccc(O)cc1
### Response:
CC(C)[C@@H]1CN(Cc2ccc(O)cc2)C(C)(C)C[NH2+]1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@H]([8*])C(F)(F)F
Fragment 2: [1*]C(=O)C[4*]
### Response:
Cn1nnnc1SCC(=O)N[C@H](c1ccccc1)C(F)(F)F |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1OC[C@@H](C1)[C@H](C)OC(=O)c1nn(c(cc1=O)C)-c1cccc(c1)Cl
### Response:
Cc1cc(=O)c(C(=O)O[C@@H](C)[C@@H]2CCOC2)nn1-c1cccc(Cl)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)N1CCN([5*])CC1
Fragment 2: [5*]N(C)C
### Response:
CN(C)c1ccc(NC(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c[nH+]1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@H](Sc1n[nH]c(=O)n1C[C@H]1CCCO1)c1cc(F)ccc1F
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccc2ncsc2c1
Fragment 2: [5*]Nc1ccc(S(=O)(=O)C(F)F)cc1
### Response:
O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc2ncsc2c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[C@H](Nc2cc(C(F)(F)F)nc3n2ncn3)[C@H](CC1)CO
### Response:
OC[C@H]1CCC[C@@H]1Nc1cc(C(F)(F)F)nc2ncnn12 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(CN(C)C(=O)CCC(=O)c2cccs2)cc1F
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(CS(=O)(=O)C)c(C(=O)N[C@H](C2CCCCC2)C)oc2c1cccc2
### Response:
C[C@H](NC(=O)c1oc2ccccc2c1CS(C)(=O)=O)C1CCCCC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C([C@H](C)[NH2+][C@@H]1CC(C)(C)OC1(C)C)c1c(cccc1)OC
### Response:
COc1ccccc1C[C@H](C)[NH2+][C@@H]1CC(C)(C)OC1(C)C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=[N+](c1cc(Cl)c(C(N[C@@H](c2ccc(c(Cl)c2)Cl)C#N)=O)cc1)[O-]
### Response:
N#C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(Cl)c(Cl)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH2+][C@@H]1CCCC[C@@H]1[15*]
Fragment 2: [4*][C@H](C)[C@@H]1CCCO1
### Response:
C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCCC[NH2+]1)[C@@H]1CCCO1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [7*]CC(C)C
Fragment 2: [7*]C1CCCC/C1=N/NC(N)=O
### Response:
CC(C)/C=C1/CCCC/C1=N/NC(N)=O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)c1c(C(=O)N(C)C2CCOCC2)cnn1-c1cccc(Cl)c1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(OCc2ccccn2)ccc1CNC(C=C1CCSCC1)=O
### Response:
O=C(C=C1CCSCC1)NCc1ccc(OCc2ccccn2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C[C@@H](CNc1cccc(F)c1C(=O)[O-])[NH+]1CCCCC1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*][C@@H](O)c1ccc(F)cc1F
Fragment 2: [8*][C@H](O)c1c[nH+]cn1[9*]
### Response:
CC(C)n1c[nH+]cc1[C@@H](O)c1ccc(F)cc1F |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(Nc1nc2c(s1)CCC2)c1cnc2sccn2c1=O
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(NC[C@H]1CCCO1)c1cc2scc(Br)c2n1Cc1cccc(F)c1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCOc1ccc(C(=S)NC[C@@H]2CCCO2)cc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccc(C)cc1[16*]
Fragment 2: [5*]N[C@@H]1CC[NH+]2CCC[C@H]12
### Response:
CCNc1cc(C)ccc1C(=O)N[C@@H]1CC[NH+]2CCC[C@H]12 |
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