task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(F)c(F)c1
Fragment 2: [6*]C(=O)OC
### Response:
COC(=O)c1ccc(F)c(F)c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[NH2+]Cc1cc(F)c(N2C[C@@H](C)[C@H](C)C2)c(F)c1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
O=C(/C=C/SCc1ccco1)N1CCc2[nH]ncc2C1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1ccc(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)cc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(cccc1C)CN1CCCN(Cc2cc(C)ccc2C)S1(=O)=O
### Response:
Cc1cccc(CN2CCCN(Cc3cc(C)ccc3C)S2(=O)=O)c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(=O)Nc1ccc(SCCOc2ccccc2C)cc1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H]1[NH2+]C[C@@H](c2cc(F)ccc2F)O[C@@H]1C
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCC[NH2+][C@H]1[C@H](Sc2nnc(C)s2)CCCC1(C)C
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N(C(c1cc2c(CCC2)cc1)=O)(C)Cc1cccnc1
### Response:
CN(Cc1cccnc1)C(=O)c1ccc2c(c1)CCC2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(Nc1cccc(F)c1F)N1CCC[C@H]1Cc1ccccc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccnc(O[3*])c1
Fragment 2: [4*]Cc1ccccc1
### Response:
N#Cc1ccc(F)c(CNC(=O)c2ccnc(OCc3ccccc3)c2)c1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C[C@H]([NH2+]CC1(CO)CCOCC1)c1ccc(N2CCOCC2)cc1Cl
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1cccs1
Fragment 2: [5*]Nc1cc2c3c(c1)[C@H](C)C(=O)N3CCC2
### Response:
C[C@@H]1C(=O)N2CCCc3cc(NC(=O)C(=O)NCC4(c5cccs5)CCOCC4)cc1c32 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)N1CCN(C(=O)Cn2cnc3sc(C)cc3c2=O)CC1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CC[NH+]2CCC[C@@H]2C1
Fragment 2: [5*]Nc1cccc(N)c1
### Response:
C[C@@H](C(=O)Nc1cccc(N)c1)N1CC[NH+]2CCC[C@@H]2C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(NC(COC(=O)[C@@H]2Oc3c(cccc3)OC2)=O)c(F)ccc1[N+]([O-])=O
### Response:
O=C(COC(=O)[C@H]1COc2ccccc2O1)Nc1cc([N+](=O)[O-])ccc1F |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1c2c(CCC1)cc(cc2)S(N1CCC(C(=O)Nc2ccc(CC)cc2)CC1)(=O)=O
### Response:
CCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
CCCCCN(C)c1nc(C(C)C)c(CO)s1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC(C)(/C(C)=N/N=C1/NC(=O)[C@H](S1)CC(=O)Nc1ccc(c(Cl)c1)C)C
### Response:
C/C(=N\N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(C)c(Cl)c2)S1)C(C)(C)C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12c(C(=O)N=[NH+][C@@H]2C(N[C@H](C(=O)OC)CC2=c3c(cccc3)=[NH+]C2)=O)cccc1
### Response:
COC(=O)[C@H](CC1=c2ccccc2=[NH+]C1)NC(=O)[C@H]1[NH+]=NC(=O)c2ccccc21 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1c(scc1C)NC(N1CCC[C@H]1Cc1ccccc1)=O
### Response:
Cc1csc(NC(=O)N2CCC[C@H]2Cc2ccccc2)n1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1oc(C(=O)N2CCCC(C)(C)CC2)cc1S(=O)(=O)N(C)C
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
CCCn1c(=C(C#N)C#N)s/c(=C/c2ccccn2)c1=O
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CO[C@H]1COc2cc(Br)ccc2O1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]O[C@H](C)C[4*]
Fragment 2: [3*]Oc1cccc(F)c1
### Response:
C#CCNC(=O)c1ccc(NC[C@@H](C)Oc2cccc(F)c2)nc1 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
CC(C)N1CC[C@@H](Nc2ccccc2OC2CCCC2)C1=O
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC1(C)C(C[NH2+]Cc2cncnc2)C1(C)C
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cc[nH+]c(N)c1
Fragment 2: [8*]CCc1cc[nH+]c(N)c1
### Response:
CCCn1cc[nH+]c1CCc1cc[nH+]c(N)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)(C)c1nc(CSc2nnc([C@H]3COc4ccccc4O3)o2)no1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc([C@@H](N[C@@H]2[C@@H](C)OCC2)c2cc(ccc2)C(F)(F)F)cnc1
### Response:
C[C@H]1OCC[C@@H]1N[C@H](c1cccnc1)c1cccc(C(F)(F)F)c1 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
O=C(CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCCC(=O)Cc1cc2cc([N+](=O)[O-])ccc2oc1=O
### Response:
6 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(ccc(NC(NCCc2nnc3n2cccc3)=O)c1)OC1CCCC1
### Response:
O=C(NCCc1nnc2ccccn12)Nc1ccc(OC2CCCC2)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1cccc([14*])[nH+]1
Fragment 2: [5*]N(C)C
### Response:
Cc1ccc2c(c1)[C@H](NCc1cccc(N(C)C)[nH+]1)CCCO2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH2+]C[C@H]1CCC[C@@H]1Cl
Fragment 2: [5*][NH2+]Cc1nccs1
### Response:
Cl[C@H]1CCC[C@@H]1C[NH2+]Cc1nccs1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc2OCCOc2cc1[C@@H](NC(=O)[C@H](CCOc1ccccc1)C)C
### Response:
C[C@H](NC(=O)[C@@H](C)CCOc1ccccc1)c1ccc2c(c1)OCCO2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1[nH+]ccn1CCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-n2cccn2)cc1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NC(C)C
Fragment 2: [1*]C(=O)c1cc(N)cc(Br)c1
### Response:
CC(C)NC(=O)c1cc(N)cc(Br)c1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
Cc1ccc(CC(=O)NNC(=O)CCSc2ccc(F)cc2)cc1O
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCS(=O)(=O)c1ccccc1C(=O)N(CC[NH+](C)C)c1nc2c(C)cc(Cl)cc2s1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C#CCOC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N(Cc1cn(nn1)-c1ccccc1)C(=O)c1ccc(cc1C)[N+](=O)[O-]
### Response:
Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1cn(-c2ccccc2)nn1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCCCC1
Fragment 2: [5*]Nc1ccccc1[16*]
### Response:
O=C(Nc1ccccc1N1CCCCC1)[C@@H]1CC(c2ccc(Cl)s2)=NO1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)C(=O)N[C@@H]1CCCN(C(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)C1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cccc(c1)N(c1ccccc1)/N=C/c1cc(OC)c(O)c(c1)OC
### Response:
COc1cc(/C=N/N(c2ccccc2)c2ccccc2)cc(OC)c1O |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCC[4*]
Fragment 2: [4*]CCS[11*]
### Response:
COCCOCCSc1nc2c(cc1C#N)CCCC2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H]1CN(C[C@@H]2CN3CCC[C@@H]3CO2)CC[NH2+]1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
O=S(=O)(NC[C@@H](O)C1CCCCC1)c1cccc2cccnc12
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccc([16*])cc1
Fragment 2: [5*][NH+]1CCNC(=O)C1(C)C
### Response:
COCc1ccc(C[NH+]2CCNC(=O)C2(C)C)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC/N=c1\scc(-c2ccc(O)c(C(N)=O)c2)n1/N=C/c1sccc1C
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(=O)[C@@H]1C[C@H](O)CN1Cc1c(C#N)c(C)nn1-c1ccccc1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O(C)CCn1ccc2c1cc(cc2)NC(=O)N(C)C[C@H]1CCC[C@@H]1O
### Response:
COCCn1ccc2ccc(NC(=O)N(C)C[C@H]3CCC[C@@H]3O)cc21 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(oc1C(=O)OCC(=O)Nc1ccccc1C)Br
### Response:
Cc1ccccc1NC(=O)COC(=O)c1ccc(Br)o1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C[C@H](c1ccncc1)N(C)Cc1csc(CC(=O)N(C)C)n1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C=CCNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CN(C(=O)CC)CCO1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCC(=O)Nc1ccc(NC(=O)N2CC[C@H](C)[C@@H](O)C2)cc1
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCN(Cc1cccc(NC(=O)[C@H](C)c2ccc3ccccc3c2)c1)C(C)=O
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
Cc1[nH+]ccn1CCCCNc1ccc(C(F)(F)F)cn1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
Cc1ccc(NC(=O)CC[NH2+][C@H](C)CC2CC2)c(Cl)c1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(F)c(F)c1
Fragment 2: [5*]N[C@@H]([8*])COC
### Response:
COC[C@@H](NC(=O)N(C)c1c(C)noc1C)c1ccc(F)c(F)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=c1n(CC(=O)N2CCC[C@H](C2)C(=O)N)nc(o1)-c1sccc1
### Response:
NC(=O)[C@@H]1CCCN(C(=O)Cn2nc(-c3cccs3)oc2=O)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)COc3ccc(Cl)cc3)n2)C1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
COc1ccc(Cl)cc1NC(=O)[C@H](C)N1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCNC(=O)c1cccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c1
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCc1c(C)nc2n(c1=O)C[C@H](C(=O)Nc1ccc(OC)c(Cl)c1)CS2
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cn1nc(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)ccc1=O
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
FC(n1c2c(nc1[C@@H](C)N[C@H](c1ccncc1)CC)cccc2)F
### Response:
CC[C@H](N[C@H](C)c1nc2ccccc2n1C(F)F)c1ccncc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCOC(=O)c1c(NC2=NS(=O)(=O)c3ccccc32)sc(C)c1-c1ccc(F)cc1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1n[nH]c(=S)n1C
Fragment 2: [1*]C(=O)C[8*]
### Response:
Cn1c(CC(=O)Nc2cccc(Cl)c2Cl)n[nH]c1=S |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1cc([C@@H]2CC(=O)Nc3c2c(C)nn3C)ccc1OCC(N)=O
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O(CC)c1ccc([C@H]2N(C(c3c2c(c2cc(F)ccc2o3)=O)=O)c2ccc(OCC)cc2)cc1
### Response:
CCOc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(OCC)cc2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(Cc1ncc(C(F)(F)F)cc1Cl)N1CCN(c2[nH+]cc(C(F)(F)F)cc2Cl)CC1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
FC(F)(F)c1ccc2c(c1)nc([C@@H]1[NH2+]CCC1)n2C[C@H](C)O
### Response:
C[C@H](O)Cn1c([C@H]2CCC[NH2+]2)nc2cc(C(F)(F)F)ccc21 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
CCOc1ccc(-c2nnc(NC(=O)c3ccc(C(C)(C)C)cc3)o2)cc1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [13*][C@@H]1CCCO1
Fragment 2: [1*]C(=O)c1cnc([14*])s1
### Response:
C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cnc([C@@H]2CCCO2)s1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1nc2ccccc2s1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cc(OC)cc(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)c1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Clc1ccc(C[NH2+]CCCn2cnc3ccccc32)o1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC/[NH+]=C(/NCC#Cc1ccccc1)NC[C@@H](C)C#N
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCN1C(=O)S/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)C1=O
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccc([14*])[nH]1
Fragment 2: [6*]C(=O)OC
### Response:
COC(=O)c1ccc(C[NH2+][C@@H]2C[C@H]3C[C@@H]2[C@H]2CCC[C@H]32)[nH]1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CC(=C)C
Fragment 2: [1*]C(=O)[C@@H](C)N[5*]
### Response:
C=C(C)C[NH+](CC)CC(=O)N[C@H](C)C(=O)N1CCCCC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(C)cc1-c1csc(NC(=O)COC2CCCC2)n1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(NCCCn1cccn1)N[C@H]1C[C@@H]1c1cccc(Cl)c1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(N[C@@H](CC)CO)(=O)C(=O)Nc1cccc(C(F)(F)F)c1
### Response:
CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCC(=O)NNC([6*])=O
Fragment 2: [4*]CC(=O)NNC([6*])=O
### Response:
N#Cc1ccccc1OCC(=O)NNC(=O)c1ccc2c(c1)CCCC2 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=C(c1ccc2c(c1)OCCO2)N1CCC([C@@H]2N=NC=C2CCc2ccccc2)CC1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(Nc1cccc(OC)c1)Cn1c2nc(N3CCCC3)sc2c(n(c1=O)CCC)=O
### Response:
CCCn1c(=O)c2sc(N3CCCC3)nc2n(CC(=O)Nc2cccc(OC)c2)c1=O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C1CC[C@@H](C(=O)N[C@H]2CCSc3c(F)cccc32)O1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCC1CCC([C@](O)(C(=O)OC)C(C)C)CC1
### Response:
4 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc([C@@H](CNC(=O)COc2ccc(C)c(C)c2)[NH+]2CCCC2)cc1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CN(C[C@@H]1CCCC[NH+]1C)C(=O)c1ccc[n+]([O-])c1
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
CC(=O)c1cccc(NC(=O)c2cccc(-n3cnnc3)n2)c1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N([5*])CC
Fragment 2: [4*]CC(C)C
### Response:
CCN(CC(C)C)C(=O)[C@@H](C)Cl |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
CSc1ccc(NC2=N[C@H]3[C@@H](O)[C@H](O)C[C@H](C(=O)NCc4ccccc4)[C@H]3S2)cc1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccc([C@H](CNC(=O)c2c[nH]nc2-c2ccccc2)N2CCOCC2)c1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[nH+]1c(c2c(n1C)N[C@](CC)(C)CN2)CCC
### Response:
CCCc1[nH+]n(C)c2c1NC[C@](C)(CC)N2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cnn([9*])c1[14*]
Fragment 2: [14*]c1ccon1
### Response:
COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)N(C)[C@H](C)c4ccon4)c3C3CC3)ncc1CC2 |
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