task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C=CCN(CC=C)C(=O)C1CCN(C(=O)C(C)(C)C)CC1
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1nn(C[C@@H]2CCCN(S(C)(=O)=O)C2)c(C)c1C=O
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
O=Cc1ccc(N2CCN(c3ccc(C=O)cc3[N+](=O)[O-])CC2)c([N+](=O)[O-])c1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
CC/C(=C\c1cccc(Br)c1)C[NH2+]C(C)C
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [10*]N1C(=O)CCC1=O
Fragment 2: [1*]C(=O)c1cccc([16*])c1
### Response:
CCOC(=O)c1cc(CC)sc1NC(=O)c1cccc(N2C(=O)CCC2=O)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(NC1CC1)c1nc(-c2ccncc2)no1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc(NCc2ccccc2OCC(C)C)cc1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(C)n(-c2ccc(CC(=O)Nc3ccnn3Cc3ccc(Cl)cc3)cc2)n1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCOc1ccc(C[NH+]2CCC[C@H]([C@H](O)c3nccn3C)C2)cc1OC
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N(C)C[8*]
Fragment 2: [4*]Cc1csc(Br)c1
### Response:
CCOc1ccc(NC(=O)N(C)Cc2csc(Br)c2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
Cc1ccsc1C[NH+]1CCC2(CC1)C[C@@]1(CO2)NC(=O)c2cc(Cl)ccc2N1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(S[C@H]2CC[C@](C2)([NH2+]C(C)C)C([O-])=O)ncnc1
### Response:
CC(C)[NH2+][C@]1(C(=O)[O-])CC[C@H](Sc2ccncn2)C1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CCn1ccc2cc(S(=O)(=O)N3CCC(C(=O)NCCc4ccccc4)CC3)ccc21
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C=Cc1cccc(C[NH+]2CC[C@@](O)(C3CC3)[C@H](C)C2)c1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(ccc1NC1S[C@H]2[C@H]([C@@H](O)[C@@H](C[C@@H]2C(=O)NCc2ccccc2)O)N=1)SC
### Response:
CSc1ccc(NC2=N[C@H]3[C@@H](O)[C@H](O)C[C@H](C(=O)NCc4ccccc4)[C@H]3S2)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1C[C@H](c2c(OC1)ccc(c2)F)NS(=O)(=O)c1ccc2c(c1)OCCCO2
### Response:
O=S(=O)(N[C@@H]1CCCOc2ccc(F)cc21)c1ccc2c(c1)OCCCO2 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
CC(C)(C)[S@](=O)CCNC(=O)c1ccccc1Sc1ccccc1C#N
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccccc1F
Fragment 2: [1*]C(=O)CC[8*]
### Response:
Cc1noc(CCC(=O)Nc2ccccc2F)n1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCOCC1
Fragment 2: [16*]c1ccccc1F
### Response:
O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CC(=O)N(c2ccccc2F)C1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1cc(C)c(CCNC(=O)COc2ccc(C(N)=O)cc2)c(C)c1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(OC)c([C@H](C)NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)c1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1ccc(N2C(=O)N(Cc3ccccc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
FC(CO[C@@H](C(=O)N1C[C@H](CC)[C@@H](CC1)c1ccccc1)C)(F)F
### Response:
CC[C@H]1CN(C(=O)[C@@H](C)OCC(F)(F)F)CC[C@H]1c1ccccc1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1cc(NC(=O)C[C@H](C)c2ccccc2F)c(C(N)=O)cc1F
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCn1c([C@H]2CCC[NH+]2Cc2ccoc2)nc2ccccc21
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc(C)c(C#CCO)c1
Fragment 2: [1*]C(=O)c1cscc1C
### Response:
Cc1ccc(NC(=O)c2cscc2C)cc1C#CCO |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cc[nH]n1)CC2
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)(CNC(=O)CC[C@H]([NH3+])c1ccccc1)S(C)(=O)=O
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc(C)cc1
Fragment 2: [16*]c1ccc(C)cc1
### Response:
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)cc2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@H]1CC[C@H]([15*])C1
Fragment 2: [5*][NH+](C)C
### Response:
C[NH+](C)[C@H]1CC[C@H](NCc2ncc(-c3ccccc3)s2)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nn(CCO)c(C)c1C[NH+]1CCC(CC[NH+](C)C)CC1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C[C@H]1O[C@@H](CN(C1)[C@@H](C)C(=O)Nc1cc([N+]([O-])=O)ccc1OC)C
### Response:
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C[C@@H](C)O[C@H](C)C1 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
CCC[C@@H](C(=O)Nc1ccc(C)nc1C)/C(N)=N/O
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N([5*])CC
Fragment 2: [4*][C@H](C)CC
### Response:
CC[C@@H](C)N(CC)C(=O)c1cc(Cl)ccc1O |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(ccc(N(C)C)cc1)[C@@H]1CC(=O)c2c(C)c(C(OCCC)=O)[nH]c2C1
### Response:
CCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(N(C)C)cc1)C2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc(-c2nnn(CC(=O)N[C@H]3CCCn4c(C)nnc43)n2)cc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC(C)CN1CCO[C@@H](CNC(=O)CN2CC[S@@](=O)C(C)(C)C2)C1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C([C@@H]1C[C@H](O)CN1Cc1ccc([S@](=O)C)cc1)(OC)=O
### Response:
COC(=O)[C@@H]1C[C@H](O)CN1Cc1ccc([S@@](C)=O)cc1 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
COc1ccc(/C=c2\s/c(=C(/C#N)c3nnc4n3CCCCC4)n(-c3ccccc3)c2=O)cc1OC
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Nc1cc(N)nc(SCc2cc(=O)n3ccccc3n2)n1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCc1ccsc1-c1nnc([S-])[nH]1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@@H](O)CC[NH2+]Cc1nc2c(s1)CCC2
### Response:
5 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(=O)c1ccc(NS(=O)(=O)c2c(C(=O)N3CCCCCC3)c(C)n(C)c2C)cc1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCC[NH2+][C@H](COC(C)C)c1cc(F)ccc1C
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1Cl
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1Cl
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cnc2c(c1)nc([C@@H](C)Cl)n2C[C@@H]1CCS(=O)(=O)C1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(C)cc(cc1NC(=O)[C@@H]1[C@@H]2C(=C(C)C)[C@H]([C@H]1C([O-])=O)CC2)C
### Response:
CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)Nc1cc(C)cc(C)c1)[C@@H]2C(=O)[O-] |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CCc1coc([14*])n1
Fragment 2: [5*]NCC[8*]
### Response:
COc1cccc(NC(=O)NCCc2coc(-c3ccccc3)n2)c1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
COC(=O)Cn1cc(/C=C2/C(=O)N(c3cccc(F)c3)C(=O)N=C2[O-])c2ccccc21
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
CC(=O)Nc1nc2c(s1)CN(CC(=O)Nc1ccc(C(C)=O)cc1)CC2
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[C@@H](C)[C@H](C(=O)NC[C@](C)(O)C(C)C)c1ccccc1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1cccs1
Fragment 2: [8*][C@@](C)(O)C(C)(C)C#N
### Response:
CC(C)(C#N)[C@](C)(O)c1cccs1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
CCNC(=O)c1ccc(N[C@H]2c3ccccc3C[C@H]2O)[nH+]n1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(Cl)cc1COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
Cc1ccc(-n2nc(C)cc2NC(=O)CCc2ccc3c(c2)OCO3)cc1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [10*]N1CCNC1=O
Fragment 2: [16*]c1cccc(F)c1
### Response:
Cn1cc(C(=O)NC[C@@H](Cc2cccc(F)c2)N2CCNC2=O)nn1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1sccc1C
Fragment 2: [5*]Nc1nc2c(cc1C#N)CCC2
### Response:
Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1nc2c(cc1C#N)CCC2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OC(F)F
Fragment 2: [7*]C1CCSCC1
### Response:
O=C(C=C1CCSCC1)N[C@H]1CCN(c2ccccc2OC(F)F)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N(C(CSCC(=O)Nc1ccc(cc1)OC)=O)c1c(Cl)cccc1
### Response:
COc1ccc(NC(=O)CSCC(=O)Nc2ccccc2Cl)cc1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
C[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(F)(F)F
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@@H]([8*])c1ccccc1
Fragment 2: [5*]N[C@H]([8*])C1CCCC1
### Response:
O=C(N[C@H](c1ccccc1)C1CCCC1)[C@H]1Cc2ccccc2S1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@H]1C=CCCC1
Fragment 2: [1*]C(=O)c1cn(C)nc1CC
### Response:
CCc1nn(C)cc1C(=O)N[C@H]1C=CCCC1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H](C(=O)NC1(C)Cc2ccccc2C1)c1ccsc1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccnc(NN)c1
Fragment 2: [5*]N1CCN2C(=O)NC[C@H]2C1
### Response:
NNc1cc(CN2CCN3C(=O)NC[C@H]3C2)ccn1 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
COc1ccncc1NC(=O)[C@H]1COCC(=O)N1Cc1ccccc1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(CSc2nnc(N/N=C/c3ccc(F)cc3)n2N)cc1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)OCCN1CCN(C(=O)[C@H](C)Oc2cccc(F)c2)CC1
### Response:
3 |
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)Nc1ccc(C)c(-n2cnnn2)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(c1ccc(C)cc1)NC(NCC[NH+](C(C)C)C(C)C)=O
### Response:
Cc1ccc(CNC(=O)NCC[NH+](C(C)C)C(C)C)cc1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
Cc1ccc(S(=O)(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c(C)c1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CCCC1=NN2C(=N)/C(=C\c3ccc(C(C)C)cc3)C(=O)N=C2S1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(N)c1ccsc1NC(CSc1n(C)c(C2CC2)nn1)=O
### Response:
Cn1c(SCC(=O)Nc2sccc2C(N)=O)nnc1C1CC1 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
Cc1ccc2c(c1)[C@H](Cc1nc3ccccc3c(=O)n1CCCO)C(=O)N2C
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(Nc1ncnc2sc(cc21)C)[C@H]([C@@H]1CCOC1)N1CCOCC1
### Response:
Cc1cc2c(NC[C@H]([C@@H]3CCOC3)N3CCOCC3)ncnc2s1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)CNC(=O)N1CCC[C@H](C(=O)N[C@@H](Cc2ccccc2)C2CC2)C1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[N+]([O-])(c1cccc(c1)-c1oc(cc1)C(=O)Nc1c(C)ccc(C(=O)[O-])c1)=O
### Response:
Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
COc1ccc(C(=O)Oc2ccccc2/C=N/NC2=NC(=O)CS2)cc1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc2nc(CN3C(=O)OC(C)(C)C3=O)cn2c1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cnc(CN2CCN(c3cccc(C)c3C)CC2)o1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C[C@@H]([C@@H](C)C[NH2+]C)n1cccn1
### Response:
C[NH2+]C[C@H](C)[C@H](C)n1cccn1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CCCC
Fragment 2: [5*][NH+]([5*])Cc1c(C)nc2sc(C)cn12
### Response:
CCCC[NH+](CC(N)=O)Cc1c(C)nc2sc(C)cn12 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccncc1
Fragment 2: [15*][C@H]1C(C#N)=C(N)N2C(=C1C#N)Nc1ccccc12
### Response:
N#CC1=C(N)N2C(=C(C#N)[C@H]1c1ccncc1)Nc1ccccc12 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1c([16*])cccc1C
Fragment 2: [1*]C(=O)CS(=O)(=O)CCC
### Response:
CCCS(=O)(=O)CC(=O)Nc1c(C)cccc1C(C)C |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccccc1NC(=O)c1ccc(NC(=O)CCC(F)(F)F)cc1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc(NC(=O)C2CCN(c3ncnc4onc(C)c34)CC2)c(C)c1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN(Cc1cccs1)C(=O)N[C@H](C)c1ccc(Cl)s1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@H]1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[C@H]1O
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC[C@@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C(F)(F)F
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C([C@@H]1COc2c(O1)cccc2)Nc1scc(-c2cc3ccccc3o2)n1
### Response:
O=C(Nc1nc(-c2cc3ccccc3o2)cs1)[C@@H]1COc2ccccc2O1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cc(C)cc(C)c1
Fragment 2: [3*]OCC/C([O-])=N/S(=O)(=O)c1ccccc1F
### Response:
Cc1cc(C)cc(OCC/C([O-])=N/S(=O)(=O)c2ccccc2F)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cccc(c1)-c1onc(COC(=O)c2ccc(cc2)F)c1
### Response:
O=C(OCc1cc(-c2ccccc2)on1)c1ccc(F)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(NCc1cc[nH+]c(N2CCCC2)c1)c1cc(F)ccc1NC(=O)[C@@H]1C[C@@H]1C
### Response:
C[C@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](NC(=O)N(C)Cc1csc(Br)c1)c1ccccc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1(/N=C/c2c(ccc([N+]([O-])=O)c2)Cl)[C@H](N=[NH+]C1=S)c1ccccc1
### Response:
O=[N+]([O-])c1ccc(Cl)c(/C=N/N2C(=S)[NH+]=N[C@@H]2c2ccccc2)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(C)=O
Fragment 2: [8*]Cc1ccc(OC)cc1
### Response:
COc1ccc(C[C@@H]2CCC[NH+]2CC(=O)NC2CCN(C(C)=O)CC2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N(C)c1cncc([14*])n1
Fragment 2: [4*]CCn1cnnc1
### Response:
Cc1nccn1-c1cncc(N(C)CCn2cnnc2)n1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCc1cccc(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)c1O
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc2ccccc2c1
Fragment 2: [5*]Nc1nc([14*])cs1
### Response:
COC(=O)NCC(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(OC)[C@@H](NC(=O)N(C1CCCC1)C1CC1)C
### Response:
COC[C@H](C)NC(=O)N(C1CCCC1)C1CC1 |
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