task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C[8*]
Fragment 2: [16*]c1ccc(C)cc1
### Response:
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cccc(OC(F)(F)F)c3)C2=O)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1c(C(=O)Nc2nc3c(s2)CCCC3)c(n(n1)-c1nc2CCCCc2s1)C
### Response:
Cc1c(C(=O)Nc2nc3c(s2)CCCC3)nnn1-c1nc2c(s1)CCCC2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+](C)C
Fragment 2: [5*]Nc1ccc(C)c(S(C)(=O)=O)c1
### Response:
Cc1ccc(NC(=O)C2([NH+](C)C)CCC2)cc1S(C)(=O)=O |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(OC)c2c1CN(Cc1c(Cl)ccc3cccnc13)C[C@@H]2O
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1cccs1
Fragment 2: [8*]CC[C@]1(O)CCc2ccc(OC)cc21
### Response:
COc1ccc2c(c1)[C@](O)(CCc1cccs1)CC2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Fc1cc(C[NH2+]CCCn2cc[nH+]c2)cc(F)c1F
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CCCCN(CC(N)=O)C(=O)/C=C/c1ccc(Br)s1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(O)c(nc1)/C(O)=N/CC[NH2+][C@@H]1c2c(ccc(C(C)C)c2)CCC1
### Response:
CC(C)c1ccc2c(c1)[C@@H]([NH2+]CC/N=C(\O)c1ncccc1O)CCC2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2ccccc2N2CCCCC2)CC1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)C1=O
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
Cn1cc(C#N)cc1C(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(Cc1cccc2ccccc12)Nc1nnc(S(=O)(=O)Cc2ccc(Cl)cc2)s1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H](NC(=O)c1cc(C#N)cn1C)c1ccc(OCC(F)(F)F)cc1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
[S-]c1nnc(-c2cc(-c3ccccc3)n[nH]2)n1/N=C/c1cccc(Cl)c1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1cccc([C@@H](CC(F)(F)F)C(=O)[O-])c1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CN(c1ccccc1)C1CCN(C(=O)c2cc(-c3ccccc3)no2)CC1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Cc1cccc2c1[nH]cc2CC(=O)Nc1c(ccc(c1)NC(C(C)C)=O)C
### Response:
Cc1ccc(NC(=O)C(C)C)cc1NC(=O)Cc1c[nH]c2c(C)cccc12 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc([NH+]2CCCC[C@@H]2C)cc(C(=O)[O-])c1N
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cn1c(=O)oc2cc(S(=O)(=O)N3CC(c4ccccn4)C3)ccc21
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccccc1-c1c([O-])[nH]c(-c2cc(Cl)cs2)nc1=O
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCc1ccccc1O[C@@H]1C[C@H](C)CC[C@@H]1[NH3+]
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1C[C@H]2OCCN(C)[C@H]2C1
Fragment 2: [4*]Cc1ccc(C#N)o1
### Response:
CN1CCO[C@@H]2CN(Cc3ccc(C#N)o3)C[C@@H]21 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1([C@@H](N[C@H](C)c2ccc(cc2)-c2cncnc2)C(OC)=O)ccc(F)cc1
### Response:
COC(=O)[C@H](N[C@H](C)c1ccc(-c2cncnc2)cc1)c1ccc(F)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1c([14*])nnc2ccc(C)cc12
Fragment 2: [3*]OCC
### Response:
CCOC(=O)C1CCN(C(=O)c2c(-c3ccccc3)nnc3ccc(C)cc23)CC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cn1ncnc1CCNC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)c([N+](=O)[O-])cc1OC
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
C[C@H](NC(=O)c1ccc[nH]1)c1nc(-c2cccnc2)cs1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC(C[C@H]([NH+](C)C)CNC(=O)c1cccnc1)C
### Response:
CC(C)C[C@@H](CNC(=O)c1cccnc1)[NH+](C)C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH2+]Cn1nc([14*])ccc1=O
Fragment 2: [14*]c1ccc(C)s1
### Response:
Cc1ccc(-c2ccc(=O)n(C[NH2+]C3(c4ccc(F)cc4)CCCC3)n2)s1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Clc1cc(cc(Cl)c1)C(=O)N1CCC[C@@H]1C(=O)NCc1cc2OCCCOc2cc1
### Response:
O=C(NCc1ccc2c(c1)OCCCO2)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[NH2+]1CC[C@@H]([C@H]1C)CN(C[C@H]1OCCC1)CC
### Response:
CCN(C[C@@H]1CCCO1)C[C@H]1CC[NH2+][C@@H]1C |
functional_group | ### Instruction:
Does the molecule contain a ether group?
O=C(c1cc(O)c(O)c(O)c1)N1CC=C(c2ccccc2Cl)CC1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Nn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)nnc1-c1ccc(Cl)cc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CN(C(=O)c1c(cccc1)OCC(=O)N)Cc1ncnn1C
### Response:
CN(Cc1ncnn1C)C(=O)c1ccccc1OCC(N)=O |
functional_group | ### Instruction:
Does the molecule contain a ester group?
CC(C)(C)OC(=O)[C@H](C1CCCCC1)[C@H]([NH3+])C(=O)[O-]
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1nn2cc(C)nc2s1
Fragment 2: [5*]N[C@@H]1CCC[NH+]([5*])C1
### Response:
Cc1cn2nc(N[C@@H]3CCC[NH+](Cc4noc(C)n4)C3)sc2n1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[NH2+][C@@H](C)c1ccn(CCC(F)(F)F)c1
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
COc1cc(F)cc(C[NH2+]Cc2cccnc2)c1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccc(-c2nnc([S-])n2CC(=O)NCc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)c1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [7*]Cc1ccc(C#N)cc1
Fragment 2: [7*]C1S[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2C1=O
### Response:
N#Cc1ccc(/C=C2\S[C@@H]3c4ccccc4C(=O)N3Cc3ccccc3C2=O)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1c(ccc(c1)Cl)C(N1CC[S@](C(C)(C)C1)=O)=O
### Response:
CC1(C)CN(C(=O)c2ccc(Cl)cn2)CC[S@]1=O |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(-c2nnco2)cc1NC(=O)c1cc(C)n(-c2cccc(F)c2)c1C
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1cnn([9*])c1
Fragment 2: [4*]Cc1ccccc1
### Response:
O[C@@H]1C[C@H](CNCc2cnn(-c3ccccc3)c2)[NH+](Cc2ccccc2)C1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C[C@H]1CN(C(=O)N(C)CCc2cccs2)C[C@H]1C(=O)[O-]
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CC[NH+](CCCCNC(=O)NC[C@H]2CCCO2)C1
### Response:
O=C(NCCCC[NH+]1CCCC1)NC[C@H]1CCCO1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
CCOc1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
CN[C@]1(C#N)CCC[C@@H](N2CCn3cnnc3C2)C1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(NCc1nncn1C1CC1)Nc1cccc(Cl)c1F
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CN(C)[C@H](C(=O)NCC1(C)COC1)c1cccc(F)c1
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1occc1C(=O)Nc1nc(-c2ccc(F)c(F)c2)c(C)s1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c2c([nH]c(c(c2)[C@H]([NH+](CC)Cc2ccccc2)c2n(nnn2)C2CCCCC2)=O)cc2c1OCO2
### Response:
CC[NH+](Cc1ccccc1)[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)c1nnnn1C1CCCCC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H](C)([S@](C)=O)C[NH2+][C@@H](C)c1c(cccc1OC)F
### Response:
COc1cccc(F)c1[C@H](C)[NH2+]C[C@H](C)[S@](C)=O |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1nc(Cc2ccccc2)sc1C(=O)N1CCC[C@@H]1c1ccncc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
COc1ccc(NC(=O)[C@H](C)SC2=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N2)cc1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC(c1ccc(cc1)[C@@H]1CCCN1C(COC(=O)c1cc(C)n[nH]1)=O)(C)C
### Response:
Cc1cc(C(=O)OCC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)[nH]n1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [6*]C(=O)CO
Fragment 2: [15*][C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C[C@H](OC)[C@]4(C)[C@H]3C(=O)C[C@@]21C
### Response:
CO[C@H]1CC(=O)C=C2CC[C@@H]3[C@H](C(=O)C[C@@]4(C)[C@H]3CC[C@]4(O)C(=O)CO)[C@]21C |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
COc1cccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(OC)c3)C2=O)c1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=C([O-])[C@H](Cc1ccccc1)SCc1nccs1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N(C)C[8*]
Fragment 2: [16*]c1ccccc1
### Response:
CN(Cc1ccccc1)C(=O)c1ccc2c(n1)NC(=O)CC2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)NC1=NN(C(C)=O)[C@@]2(S1)C(=O)N(CCc1ccccc1)c1ccc(C)cc12
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CSc1cc(Cl)c(Cl)cc1N
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(NCC(=O)N1CCN(C(=O)c2cccnc2)CC1)c1cccs1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cc(C)ccc1OC
Fragment 2: [1*]C(=O)N[5*]
### Response:
CCC[C@](C)(CO)NC(=O)N[C@H](C)c1cc(C)ccc1OC |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOc1ccc([C@@H](C[NH3+])N2CCC(CC)(CC)C2)cc1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCOCC1
Fragment 2: [5*]Nc1cncc(Cl)n1
### Response:
C[C@H](CNc1cncc(Cl)n1)CN1CCOCC1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[NH2+][C@H](CC(C)C)[C@H]1C[NH+](C)CCN1C
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1nnc(NCC2(c3cccc(F)c3)CC2)s1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(CCN(Cc2ccco2)C(=O)CC2(O)CCCC2)cc1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)ccc1O
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
CC(C)(C)OC(=O)C1CCC(NS(=O)(=O)CC#N)CC1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@H]1C(C)=NC2=C1C(=O)CCC2
Fragment 2: [5*]N1CCn2nc([14*])cc2C1
### Response:
COC(=O)c1cc2n(n1)CCN(C(=O)[C@H]1C(C)=NC3=C1C(=O)CCC3)C2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1ccc([C@H](O)C2(C[NH3+])CCCC2)cc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CN(C(=O)c1ccn(-c2ccccc2F)n1)C1(C#N)CCC1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(c1c(cccc1)Br)[C@H](C(=O)[O-])CC(F)(F)F
### Response:
O=C([O-])[C@@H](Cc1ccccc1Br)CC(F)(F)F |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(sc(C)c1)[C@H](n1c2ncccc2[nH]c1=S)C
### Response:
Cc1ccc([C@@H](C)n2c(=S)[nH]c3cccnc32)s1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(S(=O)(=O)NC)cccc(NC(c2nc[nH]n2)=O)c1
### Response:
CNS(=O)(=O)c1cccc(NC(=O)c2nc[nH]n2)c1 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
COc1ccc(C(C)C)cc1S(=O)(=O)n1ccnc1C(C)C
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1C[C@H](C)O[C@@H](C)C1
Fragment 2: [1*]C(=O)[C@@H]1CCS(=O)(=O)C1
### Response:
C[C@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H](C)O1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Fc1c(OC)c(Cl)cc([C@H]([NH3+])CO)c1
### Response:
COc1c(F)cc([C@H]([NH3+])CO)cc1Cl |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc2cc([C@@H](O)[C@H](F)C(=O)[O-])ccc2c1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1c(C2CC2)noc1CCC(=O)N[C@@H](c1ccccc1F)C1CCCC1
### Response:
O=C(CCc1nc(C2CC2)no1)N[C@@H](c1ccccc1F)C1CCCC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(CN2C[C@H](C(=O)N(C)CC3CC3)CC2=O)cc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CC(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCC1=O
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+]1CCCCC1
Fragment 2: [4*]C[C@@H]([4*])C
### Response:
C[C@@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCCS[C@@H]1C |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CC(C)c1ccc(CNC(N)=[NH2+])cc1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H]12[C@H](CCN([C@@H]1CCCC2)C(c1ccc(F)c(c1)S(=O)(NC)=O)=O)C
### Response:
CNS(=O)(=O)c1cc(C(=O)N2CC[C@H](C)[C@H]3CCCC[C@H]32)ccc1F |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCn1cnc2cc(NCc3ccc(Br)cc3)ccc21
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(Cl)cc(c(c1)OC)N(C(=O)c1c2cc(c(OC)cc2c(n(C)c1)=O)OC)C
### Response:
COc1cc2c(C(=O)N(C)c3cc(Cl)ccc3OC)cn(C)c(=O)c2cc1OC |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COC(=O)c1cc(CNC(=O)c2cc3cccc(OC)c3o2)oc1C
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC[NH+]1CC[C@@H](N(C)C(=O)COc2cccc(C)c2)[C@H](C)C1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
CCC1CCC(NC(=O)N2CCC(NC(=O)c3ccccc3F)CC2)CC1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
CC[C@@H](CCO)NC(=O)NCCC(F)(F)F
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]Oc1cccc(Cl)c1
Fragment 2: [4*][C@@H](C)CN[5*]
### Response:
C[C@@H](O)CCNC(=O)NC[C@H](C)Oc1cccc(Cl)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc([16*])cc1
Fragment 2: [16*]c1cccc(Br)c1
### Response:
CC(=O)c1ccc(Nc2nnc(-c3cccc(Br)c3)o2)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccnc(CNC(CCNC(N2CCc3c4ccccc4[nH]c3C2)=O)=O)c1
### Response:
O=C(CCNC(=O)N1CCc2c([nH]c3ccccc23)C1)NCc1ccccn1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(C[C@H]1C(=O)NCC[NH+]1Cc1cccc(C(F)(F)F)c1)NCc1ccc2c(c1)OCO2
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(CC(N)=O)CC1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@H](C)c1ccncc1
Fragment 2: [5*]N[C@H]([8*])C
### Response:
C[C@H](N[C@H](C)c1ccncc1)c1nc2c(s1)CCCC2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@H](C)Sc1nncn1-c1ccccc1C
### Response:
4 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)[C@@H](CNC(=O)CCS(C)(=O)=O)c1ccccc1
### Response:
1 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.