task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
functional_group | ### Instruction:
Does the molecule contain a ether group?
C[NH+](CCC1CC[NH2+]CC1)[C@H]1CCOC2(CCC2)C1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCC[NH2+][C@@H](c1ccc(CC)s1)[C@@H]1CCO[C@@H]1C
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
[NH3+][C@H](CC(=O)Nc1ccc(Cl)c(Br)c1)c1ccccc1
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CSc1ccccc1NC(=O)CN(C)C(=O)c1csc(-c2ccccc2)n1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(ccc(Br)cc1)N1C(/C(=C/c2n(ccc2)-c2ccc(N(C)C)cc2)C(=NC1=S)[O-])=O
### Response:
CN(C)c1ccc(-n2cccc2/C=C2/C(=O)N(c3ccc(Br)cc3)C(=S)N=C2[O-])cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N([5*])CC
Fragment 2: [1*]C(=O)C[4*]
### Response:
CCNC(=O)CN(CC)c1ncncc1N |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccoc1C(=O)NC[C@@H](C)N1CCOCC1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N(C(=O)CSc1ncnc2c1c(-c1ccc(cc1)OC)cs2)c1ccc(cc1)S(N)(=O)=O
### Response:
COc1ccc(-c2csc3ncnc(SCC(=O)Nc4ccc(S(N)(=O)=O)cc4)c23)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccccc1
Fragment 2: [16*]c1ccccc1
### Response:
O=C(Nc1ccccc1)N1CCC[C@@H](C(=O)N2CCN(c3ccccc3Cl)CC2)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)CC[8*]
Fragment 2: [5*]Nc1cnn(C[8*])c1
### Response:
O=C(CCc1ccc(F)cc1)Nc1cnn(CC2CC2)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(Cl)c(c(NC(=O)NCc2nnn(c2)[C@@H]2C[NH2+][C@@H](C2)C([O-])=O)ccc1)C
### Response:
Cc1c(Cl)cccc1NC(=O)NCc1cn([C@@H]2C[NH2+][C@H](C(=O)[O-])C2)nn1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1c(csc1NC([C@H](C)CC)=O)-c1sc(CNC(=O)C)cc1
### Response:
CC[C@@H](C)C(=O)Nc1nc(-c2ccc(CNC(C)=O)s2)cs1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc([C@H](O)[C@H](C)NC(=O)CC2CCCCC2)cc1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [7*]C(C)C
Fragment 2: [4*]Cc1ccccc1
### Response:
CC(C)=C[C@H]1[C@@H](C(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)C1(C)C |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
NC(=O)c1ccc(N[C@H]2CCN(c3c(F)cccc3F)C2=O)cc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1csc([14*])n1
Fragment 2: [1*]C(=O)c1csc(N[5*])n1
### Response:
COc1ccc(S(=O)(=O)Nc2nc(C(=O)NCc3ccc4c(c3)OCO4)cs2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(Cl)cc1)N(c1nncs1)C3=O
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1nc2ccccc2nc1C(=O)Nc1ccccc1C(F)(F)F
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*][C@H]1CC[C@H]([NH2+]C)C1
Fragment 2: [11*]SCC
### Response:
CCS[C@H]1CC[C@H]([NH2+]C)C1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
CCc1nn(C)cc1NC(=O)NCc1ccccc1OCCO
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)cc1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C([O-])c1coc(-c2csc(-c3ccc(Cl)cn3)n2)c1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cc(F)ccc1CCNC(=O)N[C@H]1CC(=O)N(CC(F)(F)F)C1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1cc(NC(=O)C(=O)Nc2cn[nH]c2)n(-c2ccccc2C)n1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(ccc(cc1)C(N[C@H](C)c1ncc(s1)CC)=O)-c1ncsc1
### Response:
CCc1cnc([C@@H](C)NC(=O)c2ccc(-c3cscn3)cc2)s1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCN1CCN(C(=O)[C@H]2CCCN(C(=O)c3csc(Nc4cccc(C)c4)n3)C2)CC1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCN(C(=O)[C@@H]1CCCN(C(=O)OC)C1)[C@H](C)C(C)C
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CCO
Fragment 2: [5*]N([5*])CC
### Response:
CCN(CCO)C(=O)Nc1nc(C)cs1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@H]1([C@H]([C@@H](CCC1)NC([C@H](OC(=O)c1cc2c(cc1)OCO2)C)=O)C)C
### Response:
C[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)[C@@H](C)OC(=O)c1ccc2c(c1)OCO2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)NCCc1c[nH]c2ccccc12
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc([C@H]2CCCCCN2C(=O)c2ccco2)no1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC(C)c1ccc(C[NH+]2CCC[C@@]3(CCN(C(=O)c4cccs4)C3)C2)cc1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[S@@](=O)c1ccc(C[NH2+]CCC2CCCC2)cc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cnn([9*])c1[14*]
Fragment 2: [5*]Nc1cc(Cl)c(OC)cc1OC
### Response:
COc1cc(OC)c(NC(=O)c2cnn(-c3ccc(C)c(C)c3)c2C2CC[NH2+]CC2)cc1Cl |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccccc1
Fragment 2: [1*]C(=O)N[5*]
### Response:
O=C(NCC1CCN(S(=O)(=O)C2CC2)CC1)OCc1ccccc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C([C@@H]1CC[C@@H](C(=O)N(CC)c2c(F)cccc2)O1)[NH3+]
### Response:
CCN(C(=O)[C@@H]1CC[C@@H](C[NH3+])O1)c1ccccc1F |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1noc([C@@H]2CCCN2C(=O)c2cccc([N+](=O)[O-])c2C)n1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)(CCC#N)C[NH+]1CCCC[C@@H]1c1cc2ccccc2[nH]1
### Response:
5 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1c([14*])nc2nccc([16*])c2c1=O
Fragment 2: [3*]OCC
### Response:
CCOC(=O)Cn1c(N2CCCCC2)nc2nccc(-c3ccccc3)c2c1=O |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC[NH2+][C@H]1CCN([C@@H](C)c2ccc(C)cc2)[C@H](C)[C@@H]1C
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)=Nn1cnc2c1=NC(C)(C)NC=2C(N)=O
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cccc(N)c1
Fragment 2: [8*]CS([12*])(=O)=O
### Response:
C[C@H]1[C@@H](NS(=O)(=O)Cc2cccc(N)c2)CCC[C@@H]1C |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(Nc1ccccc1O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc([16*])cc1[N+](=O)[O-]
Fragment 2: [16*]c1cc[nH+]cc1
### Response:
CC(=O)c1ccc(NCCC2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(Nc1cccnc1Cl)C(=O)N[C@@H]1c2ccccc2C[C@H]1O
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
COc1cc(OC)cc(C(=O)Nc2ccc([C@@H]3C=c4cc(Cl)ccc4=[NH+]3)cc2)c1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1cccs1
Fragment 2: [4*][C@@H](C)c1ccc(Cl)cc1Cl
### Response:
C[C@H](NC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)c1cccs1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(CNC(=O)c2nnc(CSc3nnc(-c4cccs4)n3C)s2)cc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
CCCN1C(=O)/C(=N\NC(=S)Nc2c(C)cc(C)cc2C)c2ccccc21
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H]1([C@@H](Oc2ccccc2F)CCCC1(C)C)[NH2+]CC
### Response:
CC[NH2+][C@H]1[C@@H](Oc2ccccc2F)CCCC1(C)C |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1cc(C(=O)N/N=C(\C)c2cccc(N)c2)cc(OC)c1OC
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC(C)(n1c(S[C@@H](C(=O)C2=N[C@H](C)C(C(OC)=O)=C2C)C)nnn1)C
### Response:
COC(=O)C1=C(C)C(C(=O)[C@@H](C)Sc2nnnn2C(C)(C)C)=N[C@@H]1C |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC(C)[NH+]1CC[C@H](c2cc(CCO)[nH]n2)C1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a ester group?
CCOC(=O)CCCNc1ncnc2sc3c(c12)CC[C@H](C)C3
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cccc(C)c1OCC(=O)Nc1nonc1-c1ccc(Br)cc1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(=O)(N(C)C[C@H](C(OC)=O)C)[C@@H](C)Cc1c(n[nH]c1C)C
### Response:
COC(=O)[C@H](C)CN(C)C(=O)[C@@H](C)Cc1c(C)n[nH]c1C |
functional_group | ### Instruction:
Does the molecule contain a ether group?
O[C@@H](C1CCCCCC1)[C@H]1CCO[C@]2(CCOC2)C1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(/C=C/C(=O)Nc2scc(C3CC3)n2)cc(c1)OC
### Response:
COc1cccc(/C=C/C(=O)Nc2nc(C3CC3)cs2)c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COCc1cc([C@@H](C)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)ccc1OC
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CC[NH+]([5*])[5*]
Fragment 2: [4*]CCC
### Response:
CCC[NH+](CCOCC)C1CCC([NH3+])CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(-c2nn(c3c2[C@H](CC(N3)=O)c2c(cc(cc2)OC)OC)-c2ccccc2)ccc(cc1)Cl
### Response:
COc1ccc([C@H]2CC(=O)Nc3c2c(-c2ccc(Cl)cc2)nn3-c2ccccc2)c(OC)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CCC
Fragment 2: [11*]SC/C([O-])=N/c1nc([14*])n[nH]1
### Response:
CCCSC/C([O-])=N/c1nc(-c2ccc(OC)cc2)n[nH]1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]C(F)(F)F
Fragment 2: [1*]C(=O)C([1*])=O
### Response:
Cc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCc1ccc(F)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCO[C@H](c2ccccc2)C1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
Cc1ccc(CN(C)C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)s1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCC[NH+]1CCN(C[C@@H]2CCC(C)(C)[C@@H]2[NH2+]C)CC1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH2+][C@H]1CCOc2c(F)cc(Br)cc21
Fragment 2: [4*][C@H](C)CS(C)(=O)=O
### Response:
C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CCOc2c(F)cc(Br)cc21 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN(C)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3c(Cl)cccc3s2)cc1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(NC(=O)NCC(=O)N(C)C)s1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
[NH3+]Cc1ccc(C(F)(F)F)nc1OCc1ccco1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1OC
Fragment 2: [5*][NH+](CC)CC
### Response:
CC[NH+](CC)[C@@](C)(CC)[C@H](O)c1ccccc1OC |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCC(C)(C)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
Cn1cc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)c2ccccc21
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a halide group?
C[C@@H](c1ccccc1)N(C)C(=O)Nc1cccc(C[NH+](C)C)c1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CNS(=O)(=O)c1cccc(C[NH2+][C@H](c2ccccn2)C2CCCC2)c1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc2[n+]([O-])c(c(=O)n(c2c1)OCc1cccc(F)c1)-c1cccc(c1)Cl
### Response:
O=c1c(-c2cccc(Cl)c2)[n+]([O-])c2ccccc2n1OCc1cccc(F)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CC([6*])=O
Fragment 2: [14*]c1cnccn1
### Response:
C[NH2+][C@H]1CCCN(CC(=O)c2cnccn2)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12c(O[C@@H](C2)C)cc(NC(CN2c3c(OCC2=O)cccc3)=O)c(OCC)c1
### Response:
CCOc1cc2c(cc1NC(=O)CN1C(=O)COc3ccccc31)O[C@H](C)C2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccc(C)cc1
Fragment 2: [7*]Cc1ccccc1
### Response:
CC(=C/c1ccccc1)/C=N/N1CCN(Cc2ccc(C)cc2)CC1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Clc1ccc2nnn(OC/C=C/c3ccccc3)c2c1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
CCCS(=O)(=O)c1ccc(SC[C@@H](C)CCl)cc1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc([16*])cc1
Fragment 2: [1*]C(=O)c1ccc([N+](=O)[O-])o1
### Response:
O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc([N+](=O)[O-])o1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC(C)(C)OC(=O)C1CCC(CC1)NC([C@@H](c1ccccc1)CC)=O
### Response:
CC[C@@H](C(=O)NC1CCC(C(=O)OC(C)(C)C)CC1)c1ccccc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COCC[NH+]1CCC[C@H](NC(=O)C(=O)Nc2cc(C)ccc2F)C1
### Response:
0 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cccc(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[O-][N+](=O)c1c(NC[C@H](C[NH+]2Cc3c(CC2)cccc3)O)nc2n(cccc2)c1=O
### Response:
O=c1c([N+](=O)[O-])c(NC[C@@H](O)C[NH+]2CCc3ccccc3C2)nc2ccccn12 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CC1c1[nH]nc(n1)C(N1CCO[C@H](C1)CC)=O
### Response:
CC[C@H]1CN(C(=O)c2n[nH]c(C3CC3)n2)CCO1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(C[NH+]2CC[C@H](C)C[C@@H]2c2ccc(C)o2)no1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
Cc1cc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)no1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCn1ccnc1CN1CCCN(C(=O)[C@@H]2CC=CCC2)CC1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc2[C@@H](NC(=O)NC[C@H](c3cn(nc3)C)O)C[C@H]3c2c(CCC3)c1
### Response:
Cn1cc([C@H](O)CNC(=O)N[C@H]2C[C@@H]3CCCc4cccc2c43)cn1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(c(C)c(cc1C#N)[N+]([O-])=O)N[C@H](CO)c1ccccc1F
### Response:
Cc1c(N[C@H](CO)c2ccccc2F)cc(C#N)cc1[N+](=O)[O-] |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc(F)c(C#N)c1F
Fragment 2: [1*]C(=O)N[5*]
### Response:
N#Cc1c(F)ccc(NC(=O)Nc2ccc(Cl)cc2)c1F |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)C1=Cc2ccccc2OC1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a amide group?
O=C(NCCCn1cc(C(=O)N2CCCC2)nn1)c1ccc(Cl)cc1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1cc([16*])cn1
Fragment 2: [5*]Nc1cnn([9*])c1
### Response:
COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)Nc1cnn(C(C)C)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
[NH3+][C@@H]1C[C@@H]1c1cccc2ccccc12
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccccc1Cl
Fragment 2: [14*]c1cccs1
### Response:
O=C(NCC1(c2cccs2)CCOCC1)c1ccccc1Cl |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C([1*])=O
Fragment 2: [5*]NC1CCC(C)(C)CC1
### Response:
Cc1nn(C)c2ncc(NC(=O)C(=O)NC3CCC(C)(C)CC3)cc12 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(-c2nc(CNC(=O)N[C@@H]3C[C@](C)(OC)C3(C)C)n[nH]2)cc1
### Response:
1 |
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