task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(COCc1ccccc1Cl)N1CCN(c2ncccn2)CC1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(C([NH2+]C[C@@H]1CCCO1)(C)C)[O-]
### Response:
CC(C)([NH2+]C[C@@H]1CCCO1)C(=O)[O-] |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]C[C@H]([8*])O
Fragment 2: [5*]Nc1ncc(Cl)cc1F
### Response:
O[C@H](CNc1ncc(Cl)cc1F)C1CCCC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1c(CC)nn(C)c1OC
Fragment 2: [5*]Nc1cc2ccccc2c(Cl)n1
### Response:
CCc1nn(C)c(OC)c1CNc1cc2ccccc2c(Cl)n1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H](NC(=O)CCc1ccco1)c1ccc(-n2ccnc2)cc1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@@H](C)C(=O)OC
Fragment 2: [8*]CC=C
### Response:
C=CCn1c(S[C@@H](C)C(=O)OC)nnc1[C@H]1COc2ccccc2O1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(N(CC)S(c1cc(C(NC2(CC2)c2ccc(Br)cc2)=O)ccc1)(=O)=O)C
### Response:
CCN(CC)S(=O)(=O)c1cccc(C(=O)NC2(c3ccc(Br)cc3)CC2)c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)[NH+](CC(N)=O)CC(=O)N1CCC(Cc2ccccc2)CC1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C[NH2+][C@H](c1ccc(c(c1)F)Br)Cc1ncccc1C
### Response:
C[NH2+][C@@H](Cc1ncccc1C)c1ccc(Br)c(F)c1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CCOc1ccccc1NC(=O)[C@@H]1C=C(c2ccccn2)N=N1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CC(C)OC(=O)C[NH+]1CCC[C@@H]1c1cccc(N(C)C)c1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@@H](C)c1ccc(CC)o1
Fragment 2: [14*]c1ccc(CC)o1
### Response:
CCc1ccc([C@H](C)[NH2+][C@H](C)c2nc3ccccc3n2C(C)C)o1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH+]1CCN(c2ncnc(NCCCN3CCOCC3)c2N)CC1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(Nc1cccc(c1)S(=O)(N(C)c1ccccc1)=O)c1sc(C)cc1
### Response:
Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)s1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CS(=O)(=O)CCNC(=O)CCn1cnc2ccccc2c1=O
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CN(C(=O)N[C@](C)(C(=O)[O-])C(F)(F)F)[C@@H]1CCC[NH+](C)C1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [12*]S(=O)(=O)c1c(N)cc(Cl)cc1Cl
Fragment 2: [5*][N-]c1nc(C)cc(C)n1
### Response:
Cc1cc(C)nc([N-]S(=O)(=O)c2c(N)cc(Cl)cc2Cl)n1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccccn1)Nc1ccccc1N2
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCn1c(-c2ccc3c(c2)OCCO3)cnc1S[C@@H](C#N)Cc1ccc(C)cc1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CS(=O)(=O)c1ccc(C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)cc1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOc1ccccc1Oc1ccc(CNC(=O)N(C)C2CCC2)cn1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]O[C@H]([8*])C
Fragment 2: [13*][C@H]1CCCO1
### Response:
C[C@H](NC(=O)c1ccoc1)C(=O)O[C@@H](C)[C@H]1CCCO1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NC1CC1
Fragment 2: [11*]Sc1ccc(N)cc1Cl
### Response:
C[C@H](Sc1ccc(N)cc1Cl)C(=O)NC1CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1CN(Cc2cnc3cnccn23)[C@H](c2ccccc2)CO1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1c(-c2ccc(c3c2cccc3)OC)[nH]cc1C(=O)OC
### Response:
COC(=O)c1c[nH]c(-c2ccc(OC)c3ccccc23)n1 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)C[C@@H]3C=CCC3)C2)CC1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]COC
Fragment 2: [15*][C@]1(O)CC[C@@H](C)C[C@H]1C
### Response:
COC[C@]1(O)CC[C@@H](C)C[C@H]1C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]CN1C(=O)[C@]2(N[C@@H]([13*])[C@H]3C(=O)N(C)C(=O)[C@H]32)c2ccccc21
Fragment 2: [8*]CC(C)C
### Response:
CC(C)C[C@@H]1N[C@]2(C(=O)N(Cc3ccccc3F)c3ccccc32)[C@@H]2C(=O)N(C)C(=O)[C@H]12 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccccc1C(=O)NC(=S)Nc1cccc(OCC(C)C)c1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
COc1ccc(C(=O)N2CCC[C@@H](c3ccc(C(=O)N4CCN(C)CC4)cn3)C2)cn1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccncc1NC(=O)N1CCN(CC(=O)N2CCCCC2)CC1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C=CCOc1ccc(C(=O)N[C@@H]2C[C@@H]2C)cc1OC
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH2+]CC[8*]
Fragment 2: [4*]CCc1ccc(O)cc1
### Response:
Oc1ccc(CC[NH2+]C[C@H](c2ccc(O)cc2)C2(O)CCCCC2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [7*]Cc1c[nH]c2ccccc12
Fragment 2: [7*]C(C#N)C(=O)C(C)(C)C
### Response:
CC(C)(C)C(=O)/C(C#N)=C/c1c[nH]c2ccccc12 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C#CCN1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cccc2cc(C(/C=C/c3cn(CC)nc3)=O)ccc21
### Response:
CCn1cc(/C=C/C(=O)c2ccc3ccccc3c2)cn1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1oc(C(=O)OC[C@H]2CC=CCC2)cc1S(=O)(=O)N1CCCC1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCOc1ccccc1C(=O)N(Cc1ccc(-c2cccc(Cl)c2)o1)[C@H]1CCS(=O)(=O)C1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(=O)Nc1nc(CC(=O)Nc2nc3c(C)cccc3s2)cs1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
Fragment 2: [4*][C@H](C)[C@H]1CCCO1
### Response:
C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NC[C@H](C)C[C@@H](C)O
Fragment 2: [4*]C[C@H](C)C[C@@H](C)O
### Response:
C[C@@H](CNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)C[C@@H](C)O |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N(CC(F)(F)F)C([C@H]1CCCN(C1)C([C@@H](OCC)C)=O)=O
### Response:
CCO[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCC(F)(F)F)C1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C[C@@H]1CCC[C@H](NC(=O)C(=O)NCC[NH3+])C1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(N)cc(C)c1S(=O)(=O)N1CCCC[C@H]1CO
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1N(CCN(C1)C(C)=O)C(=O)C(Nc1cc(ccc1)Br)=O
### Response:
CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(Br)c2)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1C[C@@H](C[C@@]2(O1)CSCC2)[NH2+][C@@H](C1CC1)c1ccc(cc1)C
### Response:
Cc1ccc([C@@H]([NH2+][C@H]2CCO[C@]3(CCSC3)C2)C2CC2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
CCCCN(CCO)C(=O)N[C@@H]1c2cccc(F)c2CC[C@H]1C
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1c2cc(ccc2c(=O)n2CCCCCCc12)C(N[C@H](c1c(OC)ccc(OC)c1)C)=O
### Response:
COc1ccc(OC)c([C@H](C)NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])nc1)C(=O)[O-]
### Response:
5 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cccc(CNc2cc(C)nc3nc(-c4ccco4)nn23)c1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C/C(=C/CC[NH3+])c1ccc(Cl)cc1F
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1
Fragment 2: [5*]NCC1CCOCC1
### Response:
O=C(NCC1CCOCC1)[C@H]1CC(C(c2ccccc2)c2ccccc2)=NO1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CC(C)(CNC(=O)N1CCC(OC2CCCC2)CC1)c1ccncc1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Brc1c2OCOc2cc(c1)C[NH2+]Cc1ccc(F)cc1
### Response:
Fc1ccc(C[NH2+]Cc2cc(Br)c3c(c2)OCO3)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H]1OCCN(Cc2cccc(F)c2Cl)[C@H]1C
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(ccc1)[C@@H]1N(C(=O)c2oc3c(c(C)cc(c3)C)c(=O)c12)Cc1occc1
### Response:
Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(Cc1ccco1)[C@H]3c1ccccc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)N1CCOC[C@@H]1[13*]
Fragment 2: [5*]N1CCOC[C@@H]1[13*]
### Response:
Cc1ncsc1CCNC(=O)C[C@H]1COCCN1C(=O)N1CCCC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(C)n2cc(CN3C[C@@H](C)C[C@H]([NH3+])C3)nc2n1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Clc1ccc([C@H](NCCc2nnc3ccccn23)C2CC2)cc1Cl
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C([C@@H]([NH+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C)C)NCC=C
### Response:
C=CCNC(=O)[C@H](C)[NH+]1CCC[C@@H]1[C@@H]1CCCN1C(C)=O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC[C@@H](O)CN(C)C(=O)c1ncoc1-c1ccc(C)cc1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]Cc1csc([14*])n1
Fragment 2: [8*]Cn1ccc([16*])c1
### Response:
CCCc1nc(Cn2ccc([C@H](O)CC)c2)cs1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=C=Nc1ccc2c(c1)O[C@@H](F)C(F)(F)O2
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a amine group?
C[C@H](SCC[NH3+])c1ccc(C(=O)[O-])o1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCCOc1ccccc1/C=C1\C(=O)NN(c2cccc(Br)c2)C1=O
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
Cn1cc(CN2CCC[C@H]2C(=O)OC(C)(C)C)c(=O)n(C)c1=O
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CC(=O)c1cccc(NC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)c1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CS[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CCCc3ccccc32)C1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CC[C@H](CO)C1
Fragment 2: [16*]c1c(C)cccc1C
### Response:
Cc1cccc(C)c1N1CC[C@H](CO)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccccc1[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccoc1)C(C)(C)C
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
Cc1cc(OC(=O)[C@@H](C)Sc2nncn2C)cc(C(C)C)c1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(Nc1cc(ccc1)NC(=O)CCc1nncn1C)(=O)c1c(cccc1)OC
### Response:
COc1ccccc1C(=O)Nc1cccc(NC(=O)CCc2nncn2C)c1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C=C(C)C(=O)N[C@H](C)c1nc2ccccc2n1CCC(=O)N1CCCCCC1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C([C@@]([NH+]1CCCCC1)(C)[C@H](c1ccccc1)N)C
### Response:
CC[C@@](C)([C@@H](N)c1ccccc1)[NH+]1CCCCC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NS(=O)(=O)c1cc([14*])n(C)c1
Fragment 2: [16*]c1cccc(C#N)c1
### Response:
Cn1cc(S(=O)(=O)Nc2cccc(C#N)c2)cc1C(N)=O |
functional_group | ### Instruction:
Does the molecule contain a amine group?
CCOC(=O)C1=C(C)N(C)C(=S)N(C)[C@H]1c1ccccc1C(F)(F)F
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCOCC1
Fragment 2: [5*]N1CCN([5*])CC1
### Response:
C[C@H]1CC[C@H](N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CS[C@@H]1CC[C@@H](NC(=O)c2cc(C(C)(C)C)on2)C1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
CCN(C(=O)CSc1nncn1C1CC1)[C@@H]1CCS(=O)(=O)C1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
CC(C)[NH+]1CCN(CC(=O)Nc2ccccc2Br)CC1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a halide group?
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N[C@@H](C)Cn1cncn1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1sc(NC(=O)c2ccncc2F)c(C(N)=O)c1-c1ccccc1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@H]1CCN(CCCN2C(=O)CNC2=O)c2ccccc21
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1cccc(OC)c1
Fragment 2: [5*]N[C@@H]1CCC[NH+]([5*])C1
### Response:
COc1cccc(C[NH+]2CCC[C@@H](NC(=O)c3c[nH]nc3C3CCCCC3)C2)c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1cccc2cc(CN3CC[C@@H](c4cc(C(=O)NCCO)c5ccccc5n4)C3)oc12
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCc1ccc([C@@H](C)NC(=O)[C@H](C)[NH+]2CCc3n[nH]cc3C2)cc1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)Oc1ccc2c(C(=O)Nc3ccccc3Cl)cc(=O)oc2c1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(=O)C[C@@H]1CN(Cc2ccc3ccccc3n2)CCO1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1
### Response:
4 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc(-c2noc(CCC(=O)Nc3ccccc3SC(F)F)n2)cc1F
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC[C@@H](CO)NC(=O)N[C@@H](C)c1ccccc1Br
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(-c2nn(C)cc2C[NH2+]C(C)(C)C)cc1F
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(=O)c1ccc(N2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cc1
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)N3CCc4ccccc43)cc21
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(ccccc1)-c1n[nH]c(CN(c2ncccn2)C)c1
### Response:
CN(Cc1cc(-c2ccccc2)n[nH]1)c1ncccn1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N(C)C[8*]
Fragment 2: [5*]N(C)C
### Response:
Cc1ccc(CN(C)C(=O)CN2CCC[NH+](CC(=O)N(C)C)CC2)o1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(C(=O)C(=O)Nc2cncc(-c3nnc([S-])n3C)c2)cc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Cc1ccccc1COc1cccc(c1)CC(=O)N(Cc1sccn1)C
### Response:
Cc1ccccc1COc1cccc(CC(=O)N(C)Cc2nccs2)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1cccc1[14*]
Fragment 2: [5*][NH+]1CCC([15*])CC1
### Response:
COC(=O)c1cccn1C1CC[NH+](Cc2cccc(-c3cnn(C)c3)c2)CC1 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.