task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12S(=O)(=O)N=C(c2ccc(c1)[N+](=O)[O-])N[C@@H]1[C@@H](C)CCCC1
### Response:
C[C@H]1CCCC[C@@H]1NC1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC1CC[NH+](Cc2nc3scc(-c4cccs4)c3c(=O)n2CC(=O)NCc2ccco2)CC1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1ccc2ccccc2c1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]C[C@H]1CCCC[NH+]1C
Fragment 2: [8*]Cn1c([14*])nc2cnccc21
### Response:
C[C@H](Cl)c1nc2cnccc2n1C[C@H]1CCCC[NH+]1C |
functional_group | ### Instruction:
Does the molecule contain a ester group?
CC[NH+](CC)CC(=O)N1CCc2[nH]c3ccc(C(=O)OC)cc3c2C1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CN(C)C(=O)CCCNC(=O)c1ccnc(OC(C)(C)C)c1
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc2ncc(C#N)c(Nc3ccc(C)c(C)c3)c2c1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[NH2+][C@@H](c1c[nH+]ccc1N)c1ncc(Cl)cc1Cl
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC(=O)Nc1ccc(CC(=O)Nc2ccc3c(c2)CCC3)cc1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
COC(=O)c1cc(NC(=O)c2cc(-c3cc(C)oc3C)nc3c2cnn3C(C)C)ccc1Cl
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@H]1SCCC[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1O
### Response:
0 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C/[NH+]=C(/NCc1noc(C(C)(C)C)n1)N[C@@H](C)c1ccc(F)cc1F
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@H]([NH2+][C@@H]([C@@H](c1ccccc1)OC1CCOCC1)C)(C(C)C)C
### Response:
CC(C)[C@@H](C)[NH2+][C@H](C)[C@H](OC1CCOCC1)c1ccccc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOC(=O)CSc1nccc(C)n1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCNc1cc(C)ccc1C(=O)N(C)[C@@H]1CCCC[C@H]1C
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O1CC[C@@H](C(=O)N(C)Cc2cc(ccc2)F)[C@@H]1C
### Response:
C[C@@H]1OCC[C@H]1C(=O)N(C)Cc1cccc(F)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@@H](C)S(=O)(=O)c1nnc([14*])s1
Fragment 2: [5*]N([5*])CC
### Response:
CCNc1nnc(S(=O)(=O)[C@H](C)C(=O)N(CC)c2ccccc2)s1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(c(cc(F)c1)[C@@H]1C[C@@H](CN1C(=O)NCC(C)(C)c1ccncc1)O)F
### Response:
CC(C)(CNC(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F)c1ccncc1 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
[NH3+][C@@H]1CCCCC[C@@H]1c1nnc2c3[nH]cnc3ncn12
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(OC)cc1OC
Fragment 2: [15*][C@H]1CC(=O)c2cn3nc(CC)c([16*])c3nc2C1
### Response:
CCc1nn2cc3c(nc2c1-c1ccc(OC)cc1)C[C@@H](c1ccc(OC)cc1OC)CC3=O |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C=CCN(C(=O)C/C=C/c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Clc1ccc(C[C@@H](C)CC(=O)Nc2cn(c(cc2)=O)C)cc1
### Response:
C[C@@H](CC(=O)Nc1ccc(=O)n(C)c1)Cc1ccc(Cl)cc1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@H]1CCC[C@@H]1O
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C[4*]
Fragment 2: [5*]N1CCN([5*])CC1
### Response:
O=C(CN1CCN(S(=O)(=O)c2cccc(F)c2)CC1)Nc1ccc(F)cc1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CN1CCO[C@H](C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)C1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=S(NCc1ccccc1-n1nccc1)(CC1CCC1)=O
### Response:
O=S(=O)(CC1CCC1)NCc1ccccc1-n1cccn1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Clc1ccc([C@H]2[NH+](Cc3c(n(C)nc3C(C)C)N3CCOCC3)CC2)cc1
### Response:
CC(C)c1nn(C)c(N2CCOCC2)c1C[NH+]1CC[C@H]1c1ccc(Cl)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@]1(c2cccc(C(=O)OCC(=O)c3ccc4c(c3)CCCC4)c2)NC(=O)NC1=O
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)N1CCCC1)C(=O)NC(C)(C)C
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(O[C@H]2CCOC3(CCC3)C2)c(Br)c1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*]C12C[C@H]3C[C@@H](C1)CC(O)(C3)C2
Fragment 2: [8*]C[C@@H](C)[NH2+]C
### Response:
C[NH2+][C@H](C)CC12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccccc1[16*]
Fragment 2: [15*]C1CC[NH+](C)CC1
### Response:
COC(=O)[C@H]1CCC[NH+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CC([6*])=O
Fragment 2: [11*]Sc1nnc([14*])o1
### Response:
CC(C)Cn1c(N)c(C(=O)CSc2nnc(-c3ccccc3Br)o2)c(=O)n(C)c1=O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOc1ccc(NC(=O)N2CCC(CN3CCOCC3)CC2)cc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
O=C(CSc1nnc(C2CC2)s1)Nc1ccc(F)cc1F
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]CCC(F)(F)F
Fragment 2: [4*]Cc1cn2c(C)cccc2[nH+]1
### Response:
Cc1cccc2[nH+]c(CNc3ccccc3CCC(F)(F)F)cn12 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
COc1ccc(CNC(=O)c2cc(=O)c3ccc(Br)cc3o2)cc1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1noc(C)c1[C@@H](C)NC(=O)NCC1(c2cccc(F)c2)CCOCC1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1c(CCC(=O)N[C@@H]2CCC[C@H]([C@H]2C)C)onc1C(C)C
### Response:
CC(C)c1noc(CCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)n1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(ccc(c1Cl)[C@H]([C@H]1CCOC2(C1)CCCC2)[NH2+]C)F
### Response:
C[NH2+][C@H](c1ccc(F)cc1Cl)[C@H]1CCOC2(CCCC2)C1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCN(CCOC)[C@]1(C[NH3+])CCCS[C@@H]1C
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]CC(F)(F)F
Fragment 2: [4*]Cc1ccc(C#N)cc1
### Response:
C=CCN(Cc1ccc(C#N)cc1)[C@H]1CCN(CC(F)(F)F)C1=O |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cc(C#N)c2cc(Cl)ccc2n1
Fragment 2: [1*]C(=O)C[4*]
### Response:
COCCNC(=O)CNc1cc(C#N)c2cc(Cl)ccc2n1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1Cc2n(C1)c(-c1ccc(cc1)Cl)c[n+]2CC(=O)O[C@H]1[C@H](C(C)C)CC[C@@H](C)C1
### Response:
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
CN(C)c1ccc2nc([C@H]([NH3+])CO)[nH]c2n1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1C
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCCC1
Fragment 2: [4*]CCC(F)(F)F
### Response:
O=C([C@H]1CCCC[NH+]1CCC(F)(F)F)N1CCCC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(CCS(=O)(=O)c1ccccn1)Nc1ccc(Cl)cc1F
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [7*]C1CC[NH2+]CC1
Fragment 2: [7*]C1c2ccc(Cl)cc2CCc2ccc[n+]([O-])c21
### Response:
[O-][n+]1cccc2c1C(=C1CC[NH2+]CC1)c1ccc(Cl)cc1CC2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C=CCOc1ccc(C[NH2+]Cc2csc(C)n2)cc1Cl
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1C[C@H](OC(=O)CSc2nnnn2C)CC(C)(C)C1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cn1c(C(=O)Nc2cc(Cl)ccc2Cl)cc2occc21
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2cc(Cl)ccc2Cl)c1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1[nH+]ccn1CCCCNc1ccc(C(F)(F)F)cn1
### Response:
4 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC(=O)c1ccc(S(=O)(=O)Nc2cc3c4c(c2)CC(=O)N4CCC3)cc1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nn(C)c2c1nc([C@@H](C)Cl)n2[C@@H](C)Cn1ccnc1
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(NCc1ccncc1)c1cc2cc([N+](=O)[O-])ccc2s1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1
Fragment 2: [5*]Nc1ccc(OC)cc1OC
### Response:
COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N([C@@H](C)c2ccccc2)C3=O)c(OC)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(F)cc1
Fragment 2: [15*]C1CC1
### Response:
Cc1noc2nc(C3CC3)cc(C(=O)O[C@@H](C)C(=O)c3ccc(F)cc3)c12 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
C[C@H]1CCCC[NH+]1CCNC(=O)c1cccnc1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1nc2ccc(OC)cc2s1
Fragment 2: [16*]c1c[nH]c2ccccc12
### Response:
COc1ccc2nc(N3CCC[C@H](C(=O)NCCc4c[nH]c5ccccc45)C3)sc2c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCC
Fragment 2: [5*]Nc1cccnc1[14*]
### Response:
CCOc1ncccc1NCc1cc(C)n(CC)c1C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@H]1NC(SC)=NS1
Fragment 2: [1*]C(=O)c1ncn[nH]1
### Response:
CSC1=NS[C@@H](NC(=O)c2ncn[nH]2)N1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cccc(F)c1
Fragment 2: [5*]Nc1ccc2ccn([9*])c2c1
### Response:
COCCn1ccc2ccc(NC(=O)c3cccc(F)c3)cc21 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
CC1(C)CCC[NH+]1C[C@@H](O)COc1ccc(C#N)cc1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(Nc1nc2c(Cl)cccc2s1)c1ccno1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(C1CCCC1)N(Cc1ccncc1)C1CC1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@@H]([8*])C
Fragment 2: [9*]n1nnc2ccccc2c1=O
### Response:
COc1cc(NC(=O)[C@H](C)n2nnc3ccccc3c2=O)cc(OC)c1OC |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)[C@H]3CCCO3)C2)c1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
c1ccc(C2=NCN(Cc3cnn(-c4ccccc4)c3)[C@H]2c2ncc[nH]2)cc1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(-n2c(COc3ccc(C#N)cc3OC)nc3ccccc32)cc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@@H](C)c1ccc([16*])c(F)c1
Fragment 2: [9*]n1cc(C)cn1
### Response:
Cc1cnn(-c2ccc([C@H](C)[NH2+][C@H]3CCCc4[nH]c(=O)ccc43)cc2F)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccc(Br)cc1Cl
Fragment 2: [5*]N[C@@H](C)C(=O)OC
### Response:
COC(=O)[C@H](C)NC(=O)c1ccc(Br)cc1Cl |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cn1ccc(-c2cc(C(=O)N3CCN(Cc4ccccn4)CC3)c3ccccc3n2)n1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(c1ccc(Cl)cc1)[C@H]1CCC[NH+](CCCSC)C1
### Response:
CSCCC[NH+]1CCC[C@H](C(=O)c2ccc(Cl)cc2)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1CCC/C(=C\Nc2ccc(C(=O)[O-])c(O)c2)C1=O
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@H](C)c1ccc(Cl)cc1
Fragment 2: [5*]NS(=O)(=O)c1ccccc1[N+](=O)[O-]
### Response:
C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(NNC(N[C@@H](Cn1c[nH+]cc1)C)=O)(=O)c1cccc2c1cccc2
### Response:
C[C@H](Cn1cc[nH+]c1)NC(=O)NNC(=O)c1cccc2ccccc12 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(=O)[C@@H]1CCC[C@H]1NC(=O)c1ccc(F)cc1O
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@H]1CCO[C@H]1C
Fragment 2: [5*]N(C)[C@H]([8*])C
### Response:
C[C@@H]1OCC[C@@H]1C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl |
functional_group | ### Instruction:
Does the molecule contain a ether group?
O=CN[C@H](C(=O)[O-])[C@@H]1CCO[C@@]2(CCOC2)C1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccccc1Cn1c([C@H]2CC(=O)N(C)C2)nc2ccccc21
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
N#CC1=C([S-])N(c2cccc3ccccc23)[C@@H](c2ccccc2)NC1=O
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(C1CCCC1)N1CC[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1
Fragment 2: [5*]Nc1nc2ccc([N+](=O)[O-])cc2s1
### Response:
O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)[C@H]1CC(=O)N(c2ccccc2)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cccc(OCC(=O)N2C[C@@H](C)CC[C@H]2C)c1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cc(-n2c(C)cc(C(=O)C[NH+]3CCCC[C@H]3CCO)c2C)no1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Fc1ccccc1[C@@H]1CC[NH+](Cc2nc(-c3ccccn3)no2)C1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N([5*])[C@@H]1CCS(=O)(=O)C1
Fragment 2: [16*]c1ccc(C)cc1[16*]
### Response:
Cc1ccc(C(C)C)c(OCC(=O)N(Cc2cccc3ccccc23)[C@@H]2CCS(=O)(=O)C2)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cc(F)c([16*])c(F)c1
Fragment 2: [5*]Nc1cc(F)c([16*])c(F)c1
### Response:
CC(C)NC(=O)Nc1cc(F)c(N2CCCC2)c(F)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccc([16*])cc1
Fragment 2: [5*]NCC(=O)OC
### Response:
COC(=O)CNC(=O)c1ccc(OCc2ccccc2C#N)cc1 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
Cc1cc2c(N[C@@H]3CCCCC[C@@H]3C(=O)[O-])ncnc2s1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCC(=O)Nc1nnc(SCC(=O)N2[C@H](C)CCC[C@H]2C)s1
### Response:
4 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(NC(=O)[C@H](C)[NH+](C)Cc2nnc(C3CC3)n2C)c(C)c1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(NC1CCCC1)N(CCC(F)(F)F)CC1CC1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccccc1C[NH+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)CCn1ccccc1=O
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1CC[C@@H](C)[NH+]([C@@H]2CCCC(C)(C)[C@@H]2[NH3+])C1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(/N=C2\N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1
Fragment 2: [1*]C(=O)C[8*]
### Response:
O=C(Cc1ccc(/N=C2\N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1)NCCC1=CCCCC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1ccnn1
Fragment 2: [1*]C(=O)CCC[8*]
### Response:
O=C(CCCn1ccnn1)Nc1nc2cc3c(cc2s1)OC(F)(F)O3 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.