task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)Nc1ccc(OC(=O)CSCc2ccc(C)cc2)cc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1(N(CC)C([C@@H]2CC(N(C3CCCC3)C2)=O)=O)CCCCC1
### Response:
CCN(C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)C1CCCCC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cccc(NC(=O)c2ccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)cc2)c1C
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCc1c(C)nc2n(c1=O)C[C@@H](C(=O)N1CCN(C(c3ccccc3)c3ccccc3)CC1)CS2
### Response:
5 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCC[C@H](C)NC(=O)[C@H]1CCC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)C1
### Response:
5 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC1=NC(=O)[C@@H](CC(=O)Nc2ccc(C(C)C)cc2)C(C)=N1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
Cc1cc(OCC(=O)N(Cc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)ccc1Cl
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc4c(cc3C)NC(=O)[C@@H](C)O4)C2)cc1
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(cc(cc1)C[NH+](C)C1CCN(CC1)C(c1sccc1OC(F)F)=O)C(F)(F)F
### Response:
C[NH+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2sccc2OC(F)F)CC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NCc1nnc2n1CCCC2
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)Nc1ccc(F)c([N+](=O)[O-])c1
### Response:
4 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
C[C@@H]1CCN(C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)[C@H](C)C1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC(C)c1[nH+]ccn1[C@H](C)C(=O)Nc1ncc(Cc2ccccc2)s1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*][C@@H]1CCCC1(C)C
Fragment 2: [5*][NH+]1CC[C@H]([NH3+])[C@H](C)[C@H]1C
### Response:
C[C@@H]1[C@@H](C)[NH+]([C@@H]2CCCC2(C)C)CC[C@@H]1[NH3+] |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Fc1ccc(F)c([C@@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2CCCn2cccn2)c1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cccc(N/C=C2/C(=O)N(C(=O)c3cc(OC)ccc23)c2c(C)cc(C)cc2)c1OC
### Response:
COc1ccc2c(c1)C(=O)N(c1ccc(C)cc1C)C(=O)/C2=C/Nc1ccccc1OC |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C[NH+](C)CCNC(C[C@H]1N(Cc2c(cccc2F)Cl)CCNC1=O)=O
### Response:
C[NH+](C)CCNC(=O)C[C@@H]1C(=O)NCCN1Cc1c(F)cccc1Cl |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NC[C@@H]1CCCc2ccccc21
Fragment 2: [5*]N1CCc2cc(S(N)(=O)=O)ccc21
### Response:
NS(=O)(=O)c1ccc2c(c1)CCN2CC(=O)NC[C@@H]1CCCc2ccccc21 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N(C)C[8*]
Fragment 2: [16*]c1ccccc1F
### Response:
Cc1c(F)cccc1NC(=O)N(C)Cc1ccccc1F |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+](CCC(F)(F)F)C1CCC1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(N1C[C@@H](C)O[C@H](C)C1)(c1ccc(cc1)CNC(=O)N[C@@H](C)c1ccc(o1)C)=O
### Response:
Cc1ccc([C@H](C)NC(=O)NCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)o1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1[C@H](C=C(COC)N=1)C[NH2+]C1CCN(c2cc(ccc2)-c2csc(C)n2)CC1
### Response:
COCC1=C[C@H](C[NH2+]C2CCN(c3cccc(-c4csc(C)n4)c3)CC2)N=N1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc2c(c1)nnn2[C@@H]([C@@H](C)C[NH2+]C1CC1)C
### Response:
C[C@H]([C@@H](C)C[NH2+]C1CC1)n1nnc2ccccc21 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@H]([NH3+])COCc1cc(Cl)ccc1Cl
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)[C@@H](NC(=O)NNc1ccc(C(C)(C)C)nn1)c1ccccn1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCNC(=O)[C@H](C)Sc1cccc(N)c1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C[C@@H]1CCOc2ccccc21
Fragment 2: [16*]c1ccc(OC)cc1
### Response:
COc1ccc([C@@H](O)[C@@H](C)NC(=O)C[C@@H]2CCOc3ccccc32)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(SC(C)C)cc2)C1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COCCCn1c(C)cc(C2=NN/C(=N\c3ccc(F)cc3)SC2)c1C
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1nn(C)c(OC)c1CNc1ncnc2[nH]ncc12
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1c(F)cccc1Cl
Fragment 2: [5*]N(C)C[8*]
### Response:
CN(Cc1c(F)cccc1Cl)C(=O)CNC(=O)c1sc2ccccc2c1Cl |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
NC(/C(C#N)=C\c1oc(cc1)-c1cccc(c1Cl)Cl)=O
### Response:
N#C/C(=C/c1ccc(-c2cccc(Cl)c2Cl)o1)C(N)=O |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]CCC
Fragment 2: [9*]n1cc([16*])c2ccc(C)cc21
### Response:
CCCn1cc(CC[NH3+])c2ccc(C)cc21 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc(F)cc1C
Fragment 2: [14*]c1csc(C)n1
### Response:
Cc1nc(-c2ccc(C(=O)Nc3ccc(F)cc3C)cc2)cs1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC[C@H](C)NC(=O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H](CO)(NC(=O)c1c(cccc1)Cl)[C@@H](c1ccc(N)cc1)O
### Response:
Nc1ccc([C@@H](O)[C@H](CO)NC(=O)c2ccccc2Cl)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cn1cc(C(N)=O)c(NC(=O)c2ccc3sccc3c2)n1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC1([C@H]([NH3+])Cc2c(F)cccc2Cl)CCCC1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc([16*])cc1C
Fragment 2: [5*]N[C@H](C)CC[8*]
### Response:
CC[NH+]1CCN(c2ccc(NC(=O)N[C@H](C)CCc3ccccc3)c(C)c2)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C=CCOc1ccc2ccccc2c1C#N
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1c(F)c(F)nc(F)c1F
Fragment 2: [4*]CCC(F)(F)F
### Response:
Fc1nc(F)c(F)c(NCCC(F)(F)F)c1F |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](Sc1nc2cc(Cl)ccc2n1Cc1ccccc1)C(=O)N1CCC(C(N)=O)CC1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1cc(C)n2nc(SCC(=O)N3CCC(C(=O)[O-])CC3)nc2n1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cc([16*])ccc1NC
Fragment 2: [8*]C(F)(F)F
### Response:
CNc1ccc(C(F)(F)F)cc1C(=O)NCc1ccco1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)Nc1ncnc(NNC(=O)c2ccco2)c1[N+](=O)[O-]
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCC[C@@H](C(=O)Nc1ccc(C)nc1C)/C(N)=N/O
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCC(=O)N1CCC[C@H](C(=O)NNC(=O)CNc2ccc(C)cc2C)C1
### Response:
4 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(C[NH+]2C[C@@H]3CC[C@H](C2)N(C(=O)Cn2cc(C)cn2)C3)cc1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]C[C@H]1CCCN([5*])C1
Fragment 2: [12*]S(=O)(=O)c1cc(F)ccc1F
### Response:
C#CCOC[C@H]1CCCN(S(=O)(=O)c2cc(F)ccc2F)C1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@H]1Oc2ccccc2N(CCC(=O)N2C[C@@H](C)c3ccccc32)C1=O
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CCN1C[C@@H](C(=O)N2CCCC(c3ccccc3)(c3ccccc3)C2)CC1=O
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCOc1ncnc(Sc2nc(C)cc(C)n2)c1N
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
COc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OCC(=O)[O-]
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOC(=O)c1cccc(NC[C@@H](O)c2cc(Cl)cc(Cl)c2)n1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(OCc1ccccn1)c1ccc(COc2ccccc2Cl)o1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCCCNC(=O)NNC(=O)[C@@H](C)Oc1ccc(C#N)cc1
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)(C)OC1CCN(Cc2[nH]cc(-c3cccc(Br)c3)[nH+]2)CC1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(Nc1nc2c(s1)COc1ccccc1-2)Nc1c(F)cccc1F
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[S@](=O)(CC)[C@H]1C[C@H](CCC1)NC(=O)N1CCSCC1
### Response:
CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)N2CCSCC2)C1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
C[C@@H]1C(=O)CCN(c2ccc(F)cc2F)[C@H]1C
### 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)c1ccc([16*])cc1
### Response:
COC(=O)c1cc(CNC(=O)c2ccc(N3C(=O)CCC3=O)cc2)ccc1OC |
functional_group | ### Instruction:
Does the molecule contain a halide group?
C[C@@](O)(CNc1ccc(C#N)cc1F)c1ccco1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](NC(=O)c1cc(F)c(F)c(F)c1)c1cccc(N2CCCC2=O)c1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=Cc1ccc(N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c([N+](=O)[O-])c1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
N#CCCc1c(-c2ccccc2)nn(-c2nc3ccccc3s2)c1O
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnnn1-c1ccc(Br)cc1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1(CCCCNC(c2ccc(F)cc2)=O)cnnc1
### Response:
O=C(NCCCCn1cnnc1)c1ccc(F)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1c(=O)oc2ccccc21
Fragment 2: [5*]N1CCCC1(C)C
### Response:
CC1(C)CCCN1C(=O)Cn1c(=O)oc2ccccc21 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1c(C#N)c(=O)n(C)c(=O)n1C
Fragment 2: [5*]Nc1ccc2c(c1)CCC(=O)N2CCC
### Response:
CCCN1C(=O)CCc2cc(Nc3c(C#N)c(=O)n(C)c(=O)n3C)ccc21 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
O=C(NC[C@H]1CCS(=O)(=O)C1)N1CCC[C@H]([NH+]2CCCC2)C1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1cc(C)c(NC(=O)CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)c(C)c1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(/C=N/c2ccc([N+](=O)[O-])cc2O)c2ccccc12
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@@H](C)n1ncc(C(=O)Nc2nnc(C3CC3)s2)c1C1CC1
### Response:
4 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1c(C)sc(NC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)c1C(N)=O
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(NCCN1CC[NH2+]CC1)N1CCCCCC1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1nc(S[11*])c2c3c(sc2n1)CCCC3
Fragment 2: [16*]c1ccc2c(c1)OCCCO2
### Response:
c1cc2c(cc1Sc1nc(CN3CCOCC3)nc3sc4c(c13)CCCC4)OCCCO2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(c(ccc1C(=O)NC[C@H](c1cccc(c1)OC)[NH+](C)C)O)Cl
### Response:
COc1cccc([C@@H](CNC(=O)c2ccc(O)c(Cl)c2)[NH+](C)C)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCCC
Fragment 2: [4*]CCC
### Response:
CCCN[C@@]1(C#N)CCC[C@H](N2CC[NH+](C)C(C)(C)C2)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CS(=O)(=O)CCOc1ccc(Cl)cc1NC1CCSCC1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC(C)[C@@H](C)NC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C[C@@H]([NH2+]C)CNCc1cscc1C
### Response:
C[NH2+][C@H](C)CNCc1cscc1C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCc1ccccn1
Fragment 2: [1*]C(=O)C([1*])=O
### Response:
COCCNC(=O)C(=O)NCc1ccccn1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(C)Cn1/c(=N/C(=O)CC)sc2c(OC)ccc(OC)c21
### Response:
CCCn1/c(=N/C(=O)CC)sc2c(OC)ccc(OC)c21 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
COc1cc(C[NH+]2Cc3ccccc3O[C@@H](C)C2)cc(OC)c1OC
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(CN1C(N[C@@](CC)(C1=O)c1ccccc1)=O)(OC(C)C)=O
### Response:
CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)OC(C)C)C1=O |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C([C@@H](C)[C@@H](C)[NH2+]CC1(CCC(C)(C)CC1)O)OC
### Response:
COC(=O)[C@@H](C)[C@@H](C)[NH2+]CC1(O)CCC(C)(C)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H]([NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1)c1ccccn1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1cnc([N+](=O)[O-])n1
Fragment 2: [5*]Nc1sc(C)c(CC)c1C#N
### Response:
CCc1c(C)sc(NC(=O)CCCn2cnc([N+](=O)[O-])n2)c1C#N |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1cccc(/C=c2\sc3nc(=O)c(C)nn3c2=O)c1OC
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc([N+](=O)[O-])c(C)c1
Fragment 2: [5*]N1CCN([5*])CC1
### Response:
Cc1cc(C(=O)NNC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)ccc1[N+](=O)[O-] |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(CCNC(=O)C(=O)Nc2c(C)cc(C)cc2C)cc1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(C[n+]1ccccc1)NO
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C[NH+]1CCc2c(sc(NC(=O)c3ccccc3F)c2C#N)C1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)[C@H]1C[NH2+]CC[C@]12CCO[C@H](C)C2
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@H]1C[C@@H]1C(=O)Nc1cccc(F)c1I
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
C[NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(Nc2ccc(N3C(=O)CCCC3=O)cc2[N+](=O)[O-])cc1OC
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccccc1[C@H](CS([N-]c1ccc(-n2nccc2)cc1)(=O)=O)C
### Response:
C[C@@H](CS(=O)(=O)[N-]c1ccc(-n2cccn2)cc1)c1ccccc1 |
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