task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
functional_group | ### Instruction:
Does the molecule contain a amine group?
Cc1cnc(C(C)(C)NC(=O)C2=NN(C)C(=O)CC2)s1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1ccc(=O)[nH]n1
Fragment 2: [4*]Cc1ccc(C)cc1
### Response:
Cc1ccc(CNS(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2C)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccccc1CNC(=O)C[C@@H](NC(N)=O)c1cccs1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCC
Fragment 2: [14*]c1nc2ccccc2o1
### Response:
CCOC(=O)N1CCC(NC(=O)[C@H]2CCCN(c3nc4ccccc4o3)C2)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1C2CC3CC(C2)(/N=C/c2ccc(cc2)N(C)C)CC1C3
### Response:
CN(C)c1ccc(/C=N/C23CC4CC(CC(C4)C2)C3)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCNC(=O)C[NH2+]Cc1cc(C#N)cs1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1
Fragment 2: [10*]N1N=C(C(=O)N=c2[nH]c3ccccc3[nH]2)N[C@@H](C)C1=O
### Response:
C[C@@H]1NC(C(=O)N=c2[nH]c3ccccc3[nH]2)=NN(c2ccccc2)C1=O |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@H](NC(=O)N1CCCCCCC1)[C@@H]1CCCO1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CN(C)C(=O)CNc1cc(F)ccc1OC[C@H]1CCCO1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cc(=O)n2cc(-c3ccc(Cl)cc3)nc2[nH]1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)N2CCCCCC2)o1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
C[C@H]1OCC[C@H]1C(=O)N(C)[C@@H](C)CS(C)(=O)=O
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(CC1(O)CCCCC1)Nc1ccccc1OCc1cscn1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[O-][n+]1c2ccccc2[n+]([O-])c(c1C)C(OCCO)=O
### Response:
Cc1c(C(=O)OCCO)[n+]([O-])c2ccccc2[n+]1[O-] |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC/N=C(\O)c2ncccc2O)CC1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COC(=O)C1CCN(C(=O)C[NH+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)n1nccc1NC(=O)[C@@H](C)Sc1nnc(CO)n1C1CC1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1n[nH]c([O-])c1[C@H](c1c(C)[nH][nH]c1=O)[C@H]1CN(Cc2ccccc2)c2ccccc21
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCc1sccc1C
Fragment 2: [1*]C(=O)CCCC[NH3+]
### Response:
Cc1ccsc1CNC(=O)CCCC[NH3+] |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(OC)c(OC)c1
Fragment 2: [16*]c1ccccc1Cl
### Response:
COc1ccc(-c2nnc3sc(-c4ccccc4Cl)nn23)cc1OC |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@H](C)c1sc([14*])nc1C
Fragment 2: [8*]CCOC
### Response:
COCCc1nc(C)c([C@@H](C)N[C@@H]2CCOc3ccccc32)s1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1ccco1
Fragment 2: [4*]CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1[13*]
### Response:
Cc1ccc(C2=NN(C(=O)CSc3nncs3)[C@@H](c3ccco3)C2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)C[C@H](C[NH3+])CN1CC[NH+](CC2CC2)CC1
### Response:
5 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1c(C(N(C)Cc2cc3C[C@H](C)Oc3cc2)=O)cc(-c2cn(nc2)CC)o1
### Response:
CCn1cc(-c2cc(C(=O)N(C)Cc3ccc4c(c3)C[C@H](C)O4)no2)cn1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Brc1cnc2c(c1)[nH+]c(n2Cc1nc(sc1)C)N
### Response:
Cc1nc(Cn2c(N)[nH+]c3cc(Br)cnc32)cs1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC(CCO[C@@H]1[C@@H](CCCC1)NC(=O)Cc1n[nH]c(C)c1)C
### Response:
Cc1cc(CC(=O)N[C@@H]2CCCC[C@@H]2OCCC(C)C)n[nH]1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1noc([C@H]2CCC[NH+]([C@@H](C)CC#N)C2)n1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
CCOC(=O)CN(C)Cc1cc(=O)oc2cc(C)c(Cl)cc12
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CS(=O)(=O)NCCNC(=O)c1ccccc1I
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(NCc1ccco1)[C@@H]1CCCN(C(=O)c2cccn2-c2cccnc2)C1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cc(C)c(Cl)c(C)c1
Fragment 2: [5*]Nc1ccc([16*])cc1
### Response:
CC(=O)c1ccc(NC(=O)CCCOc2cc(C)c(Cl)c(C)c2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(F)cc1
Fragment 2: [15*]C1([15*])CCOCC1
### Response:
COc1ccccc1C1(c2nnc(-c3ccc(F)cc3)o2)CCOCC1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
CCN(Cc1ccccc1C)S(=O)(=O)c1cccc(S(=O)(=O)NC)c1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(C)(C)(CCCOc1ccc(F)cc1)C([O-])=O
### Response:
CC(C)(CCCOc1ccc(F)cc1)C(=O)[O-] |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccccc1-c1nn(CN2CCc3sccc3C2)c(=S)n1C
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC1(C)CN(C/C(N)=N/OCC(=O)NC2CC2)CCO1
### Response:
0 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC[NH2+][C@H](c1cccc(OC(F)(F)F)c1)c1cscc1C
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(N2CCN(c3nccn4c(=O)n(CC(=O)NC5CCCCC5)nc34)CC2)cc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(OCC=C)ccc(cc1)/C=N/NC(=O)C(Nc1c(C)c(Cl)ccc1)=O
### Response:
C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccoc1C
Fragment 2: [16*]c1ccc(C)c(C)c1
### Response:
Cc1ccc(-c2nc(NC(=O)c3ccoc3C)sc2C)cc1C |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)c1cc(C(=O)Nc2cc(F)ccc2F)n(C)n1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c2c(cc(o2)C(=O)NCC(Nc2ccon2)=O)ccc1
### Response:
O=C(CNC(=O)c1cc2ccccc2o1)Nc1ccon1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH2+]CCOc1c(C)cc(C)cc1Br
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(F)cc1
Fragment 2: [5*]N1c2ccc(C)cc2[C@H]2C[NH+](C)CC[C@@H]21
### Response:
Cc1ccc2c(c1)[C@H]1C[NH+](C)CC[C@@H]1N2C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@H](C)(Oc1cc(c(F)cc1)F)C(NCC(=O)N[C@@H]1CS(=O)(CC1)=O)=O
### Response:
C[C@@H](Oc1ccc(F)c(F)c1)C(=O)NCC(=O)N[C@H]1CCS(=O)(=O)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CC[NH+]2CCC[C@@H]2C1
Fragment 2: [14*]c1cc(C)nc(N)n1
### Response:
Cc1cc(N2CC[NH+]3CCC[C@@H]3C2)nc(N)n1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)CC[8*]
Fragment 2: [12*]S(=O)(=O)c1ccc([16*])cc1
### Response:
Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)N3CCCCCC3)cc2)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccsc1-c1cccc(NC(NC[C@@H]2COCC2)=O)c1
### Response:
O=C(NC[C@H]1CCOC1)Nc1cccc(-c2cccs2)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(/C=C/c1occc1)[NH+](C1CCC1)CCC(F)(F)F
### Response:
FC(F)(F)CC[NH+](C/C=C/c1ccco1)C1CCC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Clc1cc(ccc1[C@@H]1N(N=C2[C@@H]1N1CCC2CC1)C(=O)C)Cl
### Response:
CC(=O)N1N=C2C3CCN(CC3)[C@@H]2[C@@H]1c1ccc(Cl)cc1Cl |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1(CCCCC1)c1ccccc1NC(=O)C(=O)NCCc1onc(C)n1
### Response:
Cc1noc(CCNC(=O)C(=O)Nc2ccccc2N2CCCCC2)n1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(cccc1)C(C)([C@@H](C)NC(=O)N(Cc1nccs1)C)C
### Response:
C[C@@H](NC(=O)N(C)Cc1nccs1)C(C)(C)c1ccccc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(N[C@H](CCO)C1CC1)c1nc(C2CC2)n2ccccc12
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CO[C@H]1CCCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)c1ccc([C@@H]2CCCN2C(=O)[C@@H](C)C2CC2)cc1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=[S@](Cc1cc(-c2ccccc2)on1)Cc1ccc(F)cc1Cl
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccnc(Oc2cccc(CO)c2)n1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cc2cc([N+](=O)[O-])ccc2s1
Fragment 2: [5*]Nc1ccc2c(c1)OCCO2
### Response:
O=C(Nc1ccc2c(c1)OCCO2)c1cc2cc([N+](=O)[O-])ccc2s1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1n(nc(c1-c1cc(nc(n1)NC1CCCCCC1)C(F)(F)F)C)C
### Response:
Cc1nn(C)cc1-c1cc(C(F)(F)F)nc(NC2CCCCCC2)n1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
c1ccc(C[C@H]([NH2+]CCc2nc[nH]n2)C2CCCCC2)cc1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc(F)cc1/C([O-])=N/S(=O)(=O)c1ccc2c(c1)OCCO2
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Fc1cc(F)c(N[C@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1F
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1Cl
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a halide group?
[NH3+][C@@H]1c2ccccc2C2(CCN(C(=O)Cc3ccc(O)c(Cl)c3)CC2)[C@H]1O
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n12c(c(C(Nc3c(ccc(Cl)c3)Sc3n(cnn3)C)=O)cnc2SCC1)=O
### Response:
Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)c1cnc2n(c1=O)CCS2 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC(C)c1ccccc1NC(=O)C(=O)Cc1nc2ccccc2s1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(ccc(c(C(NCc2cnccc2)=O)c1)N1CCC(CC1)C)[N+](=O)[O-]
### Response:
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NCc2cccnc2)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc2cc(C[NH2+]CCCN3CCOCC3)c(=O)[nH]c2c1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(C)c(cc(c1)-n1cc(c(n1)C(OCC)=O)C=O)C
### Response:
CCOC(=O)c1nn(-c2ccc(C)c(C)c2)cc1C=O |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@H](C1CCOCC1)([NH2+][C@H]1c2c(CCC1)n(C)nc2)c1ccc(cc1)OC
### Response:
COc1ccc([C@H]([NH2+][C@@H]2CCCc3c2cnn3C)C2CCOCC2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1cc(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)c(C)n1-c1nccs1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C([O-])c1cccn1C[C@@H]1CN2CCC[C@@H]2CO1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCCC[C@H]1[13*]
Fragment 2: [15*][C@@H]1CCCC[C@@H]1O
### Response:
CC(C)COC(=O)N1CCCC[C@H]1[C@@H]1CCCC[C@@H]1O |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
N#Cc1ccc(/C=C/C(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])cc1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1C[NH+]([C@@H]2[C@H](C1)CCC2)CCCc1cn(nc1)C
### Response:
Cn1cc(CCC[NH+]2CCC[C@@H]3CCC[C@@H]32)cn1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)NS(=O)(=O)c1cc(C(=O)[O-])cc(-c2ccc(CO)cc2)c1
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@H]1CCCN(C(=O)Nc2ccc3ccccc3c2)[C@H]1CO
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@@H](CN[5*])CC(C)C
Fragment 2: [5*][NH+](C)C
### Response:
CC(C)C[C@H](CNC(=O)c1ccn(-c2ccccc2)n1)[NH+](C)C |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
N#Cc1ccc(Cn2cnc(NC(=O)NCC3CC3)n2)cc1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1([C@H](CC)[NH2+]CCn2c(nnc2)C2CC2)c(Cl)cccc1F
### Response:
CC[C@H]([NH2+]CCn1cnnc1C1CC1)c1c(F)cccc1Cl |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cc(CC(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)no1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(CCc2nc3nccc(-c4cccnc4)n3n2)cc1OC
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
Cc1ccc([C@@H](C)NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C#CCn1/c(=N/S(=O)(=O)c2ccc(F)cc2)sc2cccc(F)c21
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
COc1ccc(Br)cc1CNc1ccc(-n2cncn2)cc1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(C[NH+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1O
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)NCc1ccc(C(=O)NCC2(c3cccs3)CCCC2)o1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3Cl)CC2)c(C)c1
### Response:
0 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC1CC[NH+]([C@@H](C)CNC(=O)Cc2ccccc2Cl)CC1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCCc1ccc(C(=O)NC(C)(C)c2ncc(C)s2)cc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CC(C)CC1([C@@H]([NH3+])Cc2nc3ccccc3o2)CCCC1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [13*][C@@H]1C[C@](O)([C@@]2(C[NH3+])CC[C@H](CC)C2)CCO1
Fragment 2: [8*]C(C)C
### Response:
CC[C@H]1CC[C@](C[NH3+])([C@]2(O)CCO[C@H](C(C)C)C2)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)CC[8*]
Fragment 2: [5*]N1CCN([5*])CC1
### Response:
CN1N=C(C(=O)N2CCC[C@H](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)C2)CCC1=O |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(C(=O)N2CCc3c([nH]c4c3cccc4)C2)c(=O)[nH]cc(c1)[N+](=O)[O-]
### Response:
O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCc2c([nH]c3ccccc23)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cc(=O)oc2cc(O[3*])ccc12
Fragment 2: [3*]OC(C)C
### Response:
COc1cc(Cl)c(O)cc1NC(=O)c1cc(=O)oc2cc(OC(C)C)ccc12 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@@H](C(=O)C1=c2ccccc2=[NH+]C1)[NH+]1CCC[C@@H]1[C@@H]1CC=CS1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1noc(C)c1CCCNC(=O)NCCC1CCCCC1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CCCCN1C(=O)CNc1cc(C(=O)NC[C@H]2CCCO2)ccc1
### Response:
O=C(NC[C@H]1CCCO1)c1cccc(NCC(=O)N2CCCCC2)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)c1cc(NC(=O)Cn2ccccc2=O)no1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(c(ccc1)NC(C1(c2cc(-c3cc4c(cc3)OCO4)on2)CC1)=O)C(F)(F)F
### Response:
O=C(Nc1ccccc1C(F)(F)F)C1(c2cc(-c3ccc4c(c3)OCO4)on2)CC1 |
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