task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12c3c(ccc2OCN(C1)[C@H](c1ccccc1)C)C(/C(=C/c1ccc(cc1)F)O3)=O
### Response:
C[C@@H](c1ccccc1)N1COc2ccc3c(c2C1)O/C(=C\c1ccc(F)cc1)C3=O |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C([C@@H]1C[C@H]1C)(=O)N1CCN(CC1)c1cncc(OCC(C)C)n1
### Response:
CC(C)COc1cncc(N2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)n1 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
S=c1sc(C2CC2)nn1CN1CCN(c2ccccc2)CC1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(NC(CN(C(CSc2ccc(cc2)Cl)=O)C)=O)c(C)cc1Br
### Response:
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CSc1ccc(Cl)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N(C[C@@H](c1occc1)O)C(N[C@H](c1ccccc1)C1CC1)=O
### Response:
O=C(NC[C@H](O)c1ccco1)N[C@H](c1ccccc1)C1CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCOc2ccc(Cl)cc21
Fragment 2: [1*]C(=O)C[4*]
### Response:
Cc1ccc(NC(=O)CN2CCOc3ccc(Cl)cc32)cc1C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cc(F)ccc1F
Fragment 2: [5*]NCc1ccnc([14*])c1
### Response:
O=C(NCc1ccnc(-n2ccnc2)c1)C(=O)Nc1cc(F)ccc1F |
functional_group | ### Instruction:
Does the molecule contain a ester group?
CCOC(=O)c1c(NC(=O)CSc2nnc(C)c(=O)n2N)sc2c1CC[C@@H](C)C2
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH+]1CCN(Cc2cccc(NC(=O)c3ccc(I)cc3)c2)CC1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
COc1ccc(CCN2C(=O)C(O)=C(c3ccccc3)[C@@H]2c2ccccc2Br)cc1OC
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
CCc1c(C#N)c(N)nc2sc(C(=O)c3ccc(Cl)c(Cl)c3)c(N)c12
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
CC(C)CN(C(=O)COc1ccc(Br)cc1C=O)C1CC1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1ccc([C@@H](NC(=O)c2cc3ccccc3[nH]c2=O)C(C)C)cc1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(Nc1ccccc1N1CCCC1)N1CCN(c2cc[nH+]cc2)CC1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1sccc1C
Fragment 2: [5*][NH2+][C@@H]1C[C@@H](C)c2c(C)ccc(O)c21
### Response:
Cc1ccsc1C[NH2+][C@@H]1C[C@@H](C)c2c(C)ccc(O)c21 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
COc1ccc([C@H]([NH2+]Cc2cc[nH]n2)C2CCOCC2)cc1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1(C(N[C@@H](COC)c2cc(c(cc2)F)F)=O)C[C@H](OCC1)C
### Response:
COC[C@H](NC(=O)N1CCO[C@H](C)C1)c1ccc(F)c(F)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1ncnc2scc([16*])c12
Fragment 2: [5*]N1CCS(=O)CC1
### Response:
O=S1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=[N+]([O-])c1c(OC)ncnc1N1[C@H](C[NH3+])CCC[C@@H]1C
### Response:
COc1ncnc(N2[C@H](C[NH3+])CCC[C@@H]2C)c1[N+](=O)[O-] |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[NH3+]C1CCC(CC1)n1nnc(C(=O)NC[C@@H]2COc3c(cccc3)C2)c1
### Response:
[NH3+]C1CCC(n2cc(C(=O)NC[C@@H]3COc4ccccc4C3)nn2)CC1 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
Cc1ccccc1COc1c(N)cc(Cl)cc1Br
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a amide group?
COc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(ccc1C(=O)OCC(=O)Nc1c(C(=O)N)c2CCCCc2s1)Br
### Response:
NC(=O)c1c(NC(=O)COC(=O)c2ccc(Br)cc2)sc2c1CCCC2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
S1C(=O)N(CC(N2CCOCC2)=O)C(/C1=C\c1c(F)cccc1)=O
### Response:
O=C(CN1C(=O)S/C(=C/c2ccccc2F)C1=O)N1CCOCC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCS[C@@H]1CC[C@H](NC(=O)c2n[nH]c(=O)[nH]2)C1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)[C@@H](C)NC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1
### Response:
4 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1c(Cl)cccc1Cl)n1ncnc1N2
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COC(=O)c1cc(NC(=O)c2cn(C)nc2C(C)(C)C)c(F)cc1F
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cc(Cl)ccc1NS(=O)(=O)c1cc(-c2c(C)nn3c2NC(=O)CCC3=O)ccc1C
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C[C@H]1C[C@@H]1NC(=O)N1CCN(c2ccc(Cl)cn2)CC1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cc2ccccc2c2cccnc12
Fragment 2: [5*]Nc1ccccc1F
### Response:
O=C(Nc1ccccc1F)c1cc2ccccc2c2cccnc12 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CS(=O)(=O)[N-]c1ccc2nc(SCc3ccccn3)sc2c1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
CC[C@](C)([C@@H](O)Cc1ccc(F)cc1Cl)N1CCOCC1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(cccc1)-c1nnc(o1)-c1c(cccc1)OCC(=O)NCc1ccccc1
### Response:
O=C(COc1ccccc1-c1nnc(-c2ccccc2)o1)NCc1ccccc1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
C[NH+](C)C1(CNC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)CCCCCC1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+]([5*])Cc1ccccc1
Fragment 2: [4*]Cc1ccccc1
### Response:
Cc1cc(C)n2c(C[NH+](Cc3ccccc3)CC3CCOCC3)cnc2n1 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
Cc1nc(SCCS(C)(=O)=O)c2ccccc2n1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(=O)N1CCCCC[C@H]1C1CC[NH+](CCS(=O)(=O)c2ccccc2)CC1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cccc(c1)[C@@H]1[C@@H](CCO1)CN/C(NCC#Cc1ccccc1)=[NH+]\CC
### Response:
CC/[NH+]=C(/NCC#Cc1ccccc1)NC[C@@H]1CCO[C@@H]1c1ccccc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1ccco1
Fragment 2: [1*]C(=O)C[8*]
### Response:
CCc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2Cc2ccco2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
CCOc1ccccc1NC(=O)CCc1c(C)nc2c(c(C)nn2-c2ccccc2)c1C
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=c1cc[nH]c(-c2ccc(F)cc2[O-])c1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(=O)CCCN(C)C(=O)Cc1ccc(C)nc1
### Response:
4 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cnc(COc2cc(ccc2OC)CCl)s1
### Response:
COc1ccc(CCl)cc1OCc1nccs1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cc(S(=O)(=O)N[5*])ccc1C
Fragment 2: [1*]C(=O)c1cc(S([12*])(=O)=O)ccc1C
### Response:
Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc2[nH]c(nc2cc1)[C@@H]1N(CCC1)C(=O)N[C@H]1C[C@@H]([NH+](C)C)CC1
### Response:
C[NH+](C)[C@H]1CC[C@@H](NC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H]1(COCCO1)C(O[C@@H]1CCc2ccc(cc12)Cl)=O
### Response:
O=C(O[C@@H]1CCc2ccc(Cl)cc21)[C@H]1COCCO1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(c(sc(Nc2ncnc(c2N)N(CC#N)CC#N)n1)C)C
### Response:
Cc1nc(Nc2ncnc(N(CC#N)CC#N)c2N)sc1C |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)c1ccc(NC(=O)c2n[nH]c(C(C)C)n2)cc1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(F)c(cc(F)c1)NC(=O)Cn1nc2n(c(-c3ccc(cc3)C(F)(F)F)nc(C)c2)c1=O
### Response:
Cc1cc2nn(CC(=O)Nc3cc(F)ccc3F)c(=O)n2c(-c2ccc(C(F)(F)F)cc2)n1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccon1
Fragment 2: [5*][NH+]([5*])CC
### Response:
CC[NH+](Cc1ccon1)[C@@H](C)c1ccc(F)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
N#CCN(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1c([C@@H]2[C@H](C(=O)[O-])CC(=O)N2C(C)C)cnn1C
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CCC
Fragment 2: [3*]OCC
### Response:
CCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ncccn2)cc1OCC |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1C(Oc2cc(C(=O)NCC#C)ccn2)CCCC1
### Response:
C#CCNC(=O)c1ccnc(OC2CCCCC2)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCC[C@@H]([NH2+]CC)c1cc(F)c(C)cc1F
### Response:
4 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
C[NH+]1CCN(C(=O)c2cc(-n3cccn3)ccc2Cl)C[C@H]1C(=O)[O-]
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
Cc1sc(Br)cc1S(=O)(=O)NCC(C1CC1)C1CC1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C[4*]
Fragment 2: [11*]Sc1nnc(N)s1
### Response:
Nc1nnc(SCC(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)s1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(=O)NCCCN(C)C(=O)N[C@H]1CCN(c2ccc(C)cc2)C1=O
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
O=C(Cn1c(-c2cccs2)cc2cccnc21)NCCN1CCCC1=O
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C([O-])COc1cc2ccccc2cc1O
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
O=C(Cc1ccc(F)c(F)c1)NC1CC1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]CC1=CN2CCS(=O)(=O)N=C2S1
Fragment 2: [16*]c1ccc(C)cc1
### Response:
Cc1ccc(CC2=CN3CCS(=O)(=O)N=C3S2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc([C@@H](C)n2c(N)nc3c(C)nn(C)c32)c(C)s1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N(C)(C1CC1)C(=O)[C@H]1N(CSC1)C(=O)c1cc(cn1C)C#N
### Response:
CN(C(=O)[C@@H]1CSCN1C(=O)c1cc(C#N)cn1C)C1CC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccccc1Cc1noc([C@@H]2CCCN(C(=O)C3CC3)C2)n1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
COc1cc(N2CCN(CC2)/C(=[NH+]/CCc2ccccc2)[S-])ccc1
### Response:
COc1cccc(N2CCN(/C([S-])=[NH+]/CCc3ccccc3)CC2)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC(C)(C)OC(=O)N1CCN(S(=O)(C2CN(C2)C(C[C@@H]2C=CCC2)=O)=O)CC1
### Response:
CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)C[C@@H]3C=CCC3)C2)CC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cn1c(C[C@@H]2CCCCC[C@H]2[NH3+])nc2ccccc21
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(COc1ccccc1-c1ccccc1)NCc1nc2ccccc2[nH]1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc([16*])cc1C
Fragment 2: [1*]C(=O)c1c[nH]c2nccc(Cl)c12
### Response:
Cc1cc(N(C)C)ccc1NC(=O)c1c[nH]c2nccc(Cl)c12 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(NS(=O)(=O)c2cn(C)nc2C)c(OC)c1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@H](C)C(C)C
Fragment 2: [1*]C(=O)C[4*]
### Response:
CC1CCN(C(=O)c2ccccc2NCC(=O)N[C@H](C)C(C)C)CC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cccc(S(=O)(=O)NCC[C@@H](O)c2ccoc2)c1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
CCOC[C@@H]1CCN(C(=O)c2cccc(-c3csc(C)n3)c2)C1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1nc(C)c(CCC(=O)N[C@@H]2C[C@@H]2c2cccc(Cl)c2)c(=O)[nH]1
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CN(C[C@H]1CCCC[NH+]1C)C(=O)CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(cc(C)ccc1CCNC(=O)CN(C)c1ncnc2c1nc[nH]2)C
### Response:
Cc1ccc(CCNC(=O)CN(C)c2ncnc3[nH]cnc23)c(C)c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCN(C[C@H]1COc2ccccc2O1)C(=O)CNc1ccc(C#N)cc1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc(c(c1C(C)C)NC(=O)CSc1ccc(C)cc1)C(C)C
### Response:
Cc1ccc(SCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccccc1-c1noc(CSCC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)n1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12N[C@@H]([C@H]3[C@@H](c1cc(Cl)cc2)C=CC3)c1ccc(C([O-])=O)cc1
### Response:
O=C([O-])c1ccc([C@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@H]32)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCc1cc([14*])on1
Fragment 2: [1*]C(=O)C[C@H]1CSc2nccc(=O)n21
### Response:
O=C(C[C@H]1CSc2nccc(=O)n21)NCc1cc(-c2ccc(Cl)cc2)on1 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
O=C(OCc1ccccc1)N(C[C@H]1CCC[NH2+]1)C1CC1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1nc(SCC(=O)c2cc(C)n([C@H](C)c3ccccc3)c2C)sc1
### Response:
Cc1cc(C(=O)CSc2nncs2)c(C)n1[C@H](C)c1ccccc1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCC[NH2+][C@@H]1COC[C@H]1C(=O)NCc1cscc1C
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
CC(C)[C@@H](NC(=O)[C@]12CC[C@H](C[C@@H]1Br)C2)c1nc(C2CC2)no1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(C)c(CNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)c(=O)[nH]1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)c1ccccc1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCCN(CCOC)C(=O)Nc1ccc2c(c1)CCCN2C(C)=O
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [11*]SCC
Fragment 2: [4*]CC[C@@H](C)N([5*])C
### Response:
CCSCC[C@@H](C)N(C)C(=O)c1ccc(=O)n(C)n1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
COc1ccc(N2C([C@@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3C2)=O)c(c1)OC
### Response:
COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3C2)c(OC)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1sc2c(c1)[C@H](C(=O)OCCCc1ccncc1)SCC2
### Response:
O=C(OCCCc1ccncc1)[C@@H]1SCCc2sccc21 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](COC(=O)c1ccccc1)OC(=O)c1ccccc1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
C[C@H]1CC(N(C)Cc2[nH+]ccn2Cc2ccccc2)C[C@H](C)O1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)N(C)C(=O)CN1C[C@H]2C[NH2+]CCN2C1=O
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN(Cc1cnn(C)c1)C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cc(C)nn1C
Fragment 2: [16*]c1ccccc1Cl
### Response:
Cc1cc(NC(=O)Cn2ncc3cc(-c4ccccc4Cl)ccc32)n(C)n1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C[8*]
Fragment 2: [4*]Cc1ccon1
### Response:
O=C(Cc1ccc(NCc2ccon2)cc1)N1CCSCC1 |
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