task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1snc(C)c1[16*]
Fragment 2: [5*]N1CCC[C@@H](C)C1
### Response:
Cc1nsc(NC(=O)N2CCC[C@@H](C)C2)c1C(=O)[O-] |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc2cccc(N[C@@H]3CCC[C@H]([NH3+])C3)c2n1
### Response:
0 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCOC(=O)c1sc2nc(C(C)C)c3c(c2c1N)CC(C)(C)OC3
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
O=C([O-])c1ccc(OCc2nccn2C(F)F)cn1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O(c1ccc(c(N2[C@@H]3[C@@H](CS(=O)(=O)C3)N=C2SCC(N(C)C)=O)c1)OC)C
### Response:
COc1ccc(OC)c(N2C(SCC(=O)N(C)C)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1oc(NC(=O)C[NH+](C)Cc2ccc3c(c2)OCCO3)c(C#N)c1C
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCN(C)CC4)cc3n2)cc1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a ether group?
Cc1ccc(-n2[nH]c(C(=O)N(Cc3ccccc3)C3CC3)cc2=O)cc1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
CC[C@H]1CCc2nc(NC(=O)[C@H]3CC(=O)N(CC)C3)sc2C1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H]1(C(OCC(Nc2ccc(C)cc2)=O)=O)SCCSC1
### Response:
Cc1ccc(NC(=O)COC(=O)[C@H]2CSCCS2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1c(CNCCc2cccc(F)c2)cc(C#N)n1C
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H]1[C@H](C(=O)[O-])CC[NH+]1Cc1ccc(Br)cc1F
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C=CCn1c(-c2ccco2)nn(CN2CCN(c3ccccc3)CC2)c1=S
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
O=C(N1CCC[C@H](COc2ccc(F)cc2)C1)C1(Cn2cccn2)CC1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccccc1COC(=O)CC1CCC1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC(C)C[NH2+]C[C@@]1(C[NH+]2CCC(C)(C)C2)CCCOC1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@H]1[C@@H]2C[C@H]3[C@H](OC(=O)[C@H]31)[C@H]2Cl
Fragment 2: [5*]N1CCN(CC)CC1
### Response:
CCN1CCN(C(=O)[C@H]2[C@@H]3C[C@H]4[C@H](OC(=O)[C@H]42)[C@H]3Cl)CC1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CNC(=O)[C@H]1CCC[NH+]1Cc1cnc(C2CCCC2)s1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH2+]Cc1ccc(-n2ccnc2)cc1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@@H]1SCCN(Cc2ncn(-c3ccccc3)n2)[C@H]1c1ccccc1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@@H]1CO[C@H]2c3ccccc3CC[C@@H]2[NH2+]1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1cc(C(=O)Nc2ccc(C)cc2C)ccc1OC(F)F
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1c(N[5*])sc([14*])c1C
Fragment 2: [6*]C(C)=O
### Response:
CCOC(=O)c1c(NC(=O)c2cc(CC)on2)sc(C(C)=O)c1C |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(NC(CO)CO)N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
OC[C@@H]1CCO[C@H]1c1ccc(OC(F)(F)F)cc1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1cc2c(Nc3cnn(CC(=O)N(C)C)c3)ncnc2s1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(Cn1nc(n(c1=O)CC)C1CCN(C(=O)CCC)CC1)OC
### Response:
CCCC(=O)N1CCC(c2nn(CCOC)c(=O)n2CC)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C1C[C@H](C)O[C@@H](C)C1
Fragment 2: [8*]C(F)(F)F
### Response:
C[C@H]1CC(C(=O)NCc2ccc(C(F)(F)F)cc2)C[C@H](C)O1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CSC(C)(C)CNC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](C)c3ccc(CC(C)C)cc3)C2=O)cc1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1C
Fragment 2: [1*]C(=O)CC
### Response:
CCC(=O)Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1C)N2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](C1CC1)[NH+](Cc1c(Cl)nc2ccccn12)C1CC1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)(C)NC(=O)Cn1ccnc1C#N
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1(/C(NC(=O)N(C1=O)C(C)C)=O)=C\c1c(N2CC[NH2+]CC2)ccc(c1)[N+]([O-])=O
### Response:
CC(C)N1C(=O)NC(=O)/C(=C/c2cc([N+](=O)[O-])ccc2N2CC[NH2+]CC2)C1=O |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1sc(=O)n(CCC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1C
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1nccs1
Fragment 2: [1*]C(=O)[C@@H]([4*])C(C)C
### Response:
CC(C)[C@H](NC(=O)N1CC(O)=Nc2ccccc21)C(=O)Nc1nccs1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(Nc1cccnc1)[C@H]1CCCO1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
COC(=O)[C@]1(N)CC[C@H](N2CCn3cc[nH+]c3C2)C1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(cc(c1)NC(=O)c1cnc2n1cc(C)cc2)CN1CC[NH+](C)CC1
### Response:
Cc1ccc2ncc(C(=O)Nc3cccc(CN4CC[NH+](C)CC4)c3)n2c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN(C(=O)/C=C\c1ccc(OCC#N)cc1)C1CCCCCC1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
CN1C(=O)N(Cc2ccc3ccccc3c2)C(=O)C12CC[NH+]([C@H]1CCSC1)CC2
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](O)c2cccn2C)cc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCCC[8*]
Fragment 2: [1*]C(=O)[C@H]([8*])C
### Response:
Cc1noc(C)c1CCCNC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccn2c(=O)c(C(=O)Nc3ccc(CCO)cc3)cnc12
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@H]1Cc2ccccc2N1CCNC(=O)NCc1cn2ccccc2[nH+]1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]C(C)(C)C
Fragment 2: [8*]CC(C)C
### Response:
CC(C)Cc1nnc(NC(=O)c2cn(C)nc2C(C)(C)C)s1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN1CCc2c(sc3nc(SCCO)n(-c4ccccc4)c(=O)c23)C1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CCC
Fragment 2: [4*]CC1CC1
### Response:
CCCN(CC1CC1)C(=O)N[C@H]1CCCc2c1cnn2C |
functional_group | ### Instruction:
Does the molecule contain a amide group?
COc1ccc(C[C@H](C(=O)Nc2ccccc2)[C@@H](C)C(=O)[O-])cc1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C([O-])c1ccc(OCc2nccn2C(F)F)cn1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cccc2c1[C@H](Cc1ccccc1)[NH+](CC2)Cc1cc(c(co1)[O-])=O
### Response:
O=c1cc(C[NH+]2CCc3ccccc3[C@@H]2Cc2ccccc2)occ1[O-] |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
CC(C)(C)OC(=O)N1CC[C@H]2CC(=O)[C@H]2C1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a ether group?
[NH3+]CCOc1cccc2c1OCCO2
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1cc(NC(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c23)cc(OC)c1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
o1c(Cn2c(SCc3cc(n4c(scc4C)n3)=O)nnc2C2CC2)ccc1
### Response:
Cc1csc2nc(CSc3nnc(C4CC4)n3Cc3ccco3)cc(=O)n12 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(c1csc(n1)-c1ccsc1)C(Nc1nc(-c2ccc(cc2)N(C)S(=O)(C)=O)cs1)=O
### Response:
CN(c1ccc(-c2csc(NC(=O)Cc3csc(-c4ccsc4)n3)n2)cc1)S(C)(=O)=O |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1c(Cl)cccc1-n1c(SCC(=O)c2ccc(Cl)cc2)nc2[nH]ncc2c1=O
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1C#N
Fragment 2: [1*]C(=O)C[4*]
### Response:
Cc1cc(N2CCN(C(=O)COc3ccccc3C#N)CC2)n2ncnc2n1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [6*]C(=O)CC(C)(C)C
Fragment 2: [16*]c1c[nH]c2c(CC)cccc12
### Response:
CCc1cccc2c(C(=O)CC(C)(C)C)c[nH]c12 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1nc([14*])no1
Fragment 2: [5*]NCc1nc([14*])no1
### Response:
Cc1cncc(NC(=O)NCc2nc(-c3cccc(Cl)c3)no2)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C[8*]
Fragment 2: [16*]c1ccccc1
### Response:
Cc1ccc(N2C[C@H](NC(=O)Cc3ccccc3)CC2=O)cc1C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1nc(sc1Cc1ccc(cc1)C)NC(=O)/C(C#N)=C/c1ccc(OC)c(c1)OC
### Response:
COc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1OC |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
O=[N+]([O-])c1ccc(NCc2ccccn2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCN(C[C@H]1CCCO1)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C[C@H]1C[C@H]1C(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-]
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCC[C@H](CO)C2)C1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCOc1ccc(C(=O)COc2ccc(C#N)cc2OC)cc1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(CCCc1nc2ccccc2s1)N1CCC[NH+](Cc2ccc(F)cc2)CC1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
COc1cc(C[NH+]2CC[C@H](N[C@@H](C)c3nccs3)C2)cc(OC)c1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NC1CC1
Fragment 2: [1*]C(=O)c1ccc2c(c1)C(=O)CCCO2
### Response:
O=C(NC1CC1)c1ccc2c(c1)C(=O)CCCO2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(C)c2nc(n(c2nc1)CC1CCC(C)CC1)[C@@H](C)Cl
### Response:
Cc1ccnc2c1nc([C@@H](C)Cl)n2CC1CCC(C)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCC1=NC(SCC(=O)Nc2cc(C(C)(C)C)no2)=NC(=O)C1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1cc(C)[nH+]c([14*])n1
Fragment 2: [14*]c1ccco1
### Response:
Cc1cc(N2CC[NH+](CC(=O)Nc3c(C#N)c(C)c(C)n3Cc3ccco3)CC2)nc(C(C)C)[nH+]1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N(c1ccc(Oc2ccccc2)cc1)C(c1cc2c(cc1)N(S(=O)(=O)CC)CC2)=O
### Response:
CCS(=O)(=O)N1CCc2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)ccc21 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OC(F)(F)F
Fragment 2: [5*]Nc1ccc([16*])cc1
### Response:
O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc([O-])n(-c2ccccc2)c(=O)n1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccccc1N[5*]
Fragment 2: [5*][NH+]1CCCC1
### Response:
CSCc1ccc(C(=O)Nc2ccccc2C[NH+]2CCCC2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)N1CC=C(c2cccc(C)c2)CC1
Fragment 2: [4*]Cc1nc(C)sc1C
### Response:
Cc1cccc(C2=CCN(C(=O)NCc3nc(C)sc3C)CC2)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(cnc1)C(=O)Nc1c(cc(cc1)-c1cc(ccc1)-c1cc[nH]n1)C
### Response:
Cc1cc(-c2cccc(-c3cc[nH]n3)c2)ccc1NC(=O)c1cccnc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1cnn(c1C[C@@H]([NH3+])Cc1cnc(OC)cc1)CCC
### Response:
CCCn1ncnc1C[C@@H]([NH3+])Cc1ccc(OC)nc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1noc(C)n1
Fragment 2: [1*]C(=O)CN[5*]
### Response:
Cc1nc(-c2ccc(C(=O)NCC(=O)NC3CCCCCC3)cc2)no1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)c1nc(NCCC(=O)Nc2nccs2)c2cnn(C)c2n1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(C#N)cc1
Fragment 2: [8*]CCC(=O)NNc1c(F)c(F)c(F)c(F)c1F
### Response:
N#Cc1ccc(CCC(=O)NNc2c(F)c(F)c(F)c(F)c2F)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@@H]2C=C[C@H]1C2
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O1CCCN(C1=O)CC(N[C@H]1C(C)([C@@](C)(C1)OC)C)=O
### Response:
CO[C@]1(C)C[C@@H](NC(=O)CN2CCCOC2=O)C1(C)C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(ncnc(N2C[C@H](CCC2)C(=O)OCC)c1N)NNC(c1ccccc1)=O
### Response:
CCOC(=O)[C@H]1CCCN(c2ncnc(NNC(=O)c3ccccc3)c2N)C1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
COC(C)(C)C[C@H](C)[NH2+]Cc1ccc(Br)cc1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1sc(NC(=O)CSc2ncnc3c(-c4ccc(F)cc4)nsc23)c(C#N)c1C
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
OCC[C@@H]([NH2+][C@H]1CCCc2ccc(Cl)cc21)C1CC1
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
CCN(Cc1cccc(C)n1)C(=O)NC[C@@H](C)C(=O)[O-]
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(OCc1cc(=O)oc2cc(O)ccc12)c1ccsc1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[C@H](CC(N)=O)CCC[NH+]1Cc1c(O)cc(OCCC)cc1
### Response:
CCCOc1ccc(C[NH+]2CCC[C@@H](CC(N)=O)C2)c(O)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCn1ccnc(Nc2cccc(CN(C)C(C)=O)c2)c1=O
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C=CC[n+]1cccc2ccccc21
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C1CCCCN1CN(Cc1ccccc1O)C[C@H]1CCCO1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cc(Cl)ccc1C
Fragment 2: [5*]N(C)C[C@H](O)COC
### Response:
COC[C@@H](O)CN(C)C(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2C)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cn1cc[nH+]c1C[C@H](N)c1ccc(Br)cc1C(F)(F)F
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(N[C@@H](C)[C@H](C)O)cc1Cl
### Response:
4 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
O=C(Nc1n[nH]c([S-])n1)N[C@H]1CCS(=O)(=O)C1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN(C)c1n[nH]c(=O)c2ccccc12
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CCC
Fragment 2: [16*]c1cccc(Cl)c1
### Response:
CCCNc1nc2c(-c3cccc(Cl)c3)nnn2c2ccccc12 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.