task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Fc1cccc(-c2nc(-c3ccc4c(c3)nnn4C3CCCC3)no2)c1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N(C)S(=O)(=O)C[C@@H](C)CCl
Fragment 2: [4*][C@@H](C)c1cc2ccccc2o1
### Response:
C[C@@H](CCl)CS(=O)(=O)N(C)[C@@H](C)c1cc2ccccc2o1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc(-c2n(cc[nH+]2)C[C@H]2C[NH+](C)CCN2C)c(c1)OCC
### Response:
CCOc1ccccc1-c1[nH+]ccn1C[C@H]1C[NH+](C)CCN1C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCC
Fragment 2: [5*]N1CCc2ccccc21
### Response:
CCOc1cc(C#N)ccc1OCC(=O)N1CCc2ccccc21 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C/C=N/OC(NC(CC)(C(F)(F)F)C(F)(F)F)=O
### Response:
C/C=N/OC(=O)NC(CC)(C(F)(F)F)C(F)(F)F |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
CC[NH+]1CC[C@@H]([NH2+]CCCC(=O)N2Cc3ccccc3C2)[C@H](C)C1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(N(C)C(=O)[C@@H](C(C)C)Sc2nnnn2C2CC2)cccc1
### Response:
CC(C)[C@@H](Sc1nnnn1C1CC1)C(=O)N(C)c1ccccc1 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
COc1csc(C(=O)Nc2ccc(Br)nc2C)c1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc(C(Nc2c(N3C(CCC3)=O)cccc2)=O)cc1OCc1ccccc1
### Response:
O=C(Nc1ccccc1N1CCCC1=O)c1cccc(OCc2ccccc2)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1(c2n3c(c(C(=O)Oc4ccc(OCC)cc4)n2)cccc3)CC1
### Response:
CCOc1ccc(OC(=O)c2nc(C3CC3)n3ccccc23)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Nc1cc(-c2cccc([N+](=O)[O-])c2)no1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1(C(Cc2cc(C)ccc2C)=O)CCC(CC1)OCc1ccccc1OC
### Response:
COc1ccccc1COC1CCN(C(=O)Cc2cc(C)ccc2C)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cc2cc(Cl)ccc2oc1=[NH2+]
Fragment 2: [6*]C(N)=O
### Response:
NC(=O)c1cc2cc(Cl)ccc2oc1=[NH2+] |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC(C)(C)[C@H]1CCC2=C3C(S[C@H]2C1)=NC(=NC3=O)CCC(=O)N1CCCCCC1
### Response:
CC(C)(C)[C@H]1CCC2=C3C(=O)N=C(CCC(=O)N4CCCCCC4)N=C3S[C@H]2C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cc(C)ccc1[16*]
Fragment 2: [1*]C(=O)C1CC1
### Response:
Cc1ccc(-n2ccnc2)c(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N[C@@H](C)COC)c3N2)cc1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCNC(=O)C(=O)Nc1ccc(F)cc1Cl
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@H](Sc1nncn1C)[C@@H](C)C(=O)[O-]
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(NC([C@@H]2C[C@H]3CC[C@@H]2C3)=O)cccn(C)c1=O
### Response:
Cn1cccc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)c1=O |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [10*]N1CCCC1=O
Fragment 2: [1*]C(=O)[C@H]([4*])C
### Response:
C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1CCOC(C)(C)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCN(C)C[C@@H]1[13*]
Fragment 2: [8*]C(F)F
### Response:
CC(C)Cn1ncc(C(=O)N2CCN(C)C[C@@H]2C(C)C)c1C(F)F |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)O1)c1ccc2c(c1)OCCCO2
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCC1(CC)[C@@H](NC(=O)Nc2ccc(C(=O)NC)cc2)[C@H](C)[C@@H]1OC
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)(C)c1cc([C@@H]([NH3+])CO)c(O)c([N+](=O)[O-])c1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CC[C@@H]([C@@H]([C@@H]1C)C)n1c(SCC(=O)N2CCN(C(C)=O)CC2)nc2c(c1=O)cccc2
### Response:
CC(=O)N1CCN(C(=O)CSc2nc3ccccc3c(=O)n2[C@H]2CCC[C@@H](C)[C@H]2C)CC1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCCC[NH+]1CCCC[C@@H]1CNC(=O)c1ccncc1Cl
### Response:
0 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCN(CC(C)(C)O)C(=O)Cc1ccc(C[NH3+])cc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH2+][C@@H]1C[C@H]2CC[C@]1(C)C2(C)C
Fragment 2: [3*]OCC(N)=O
### Response:
COc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)ccc1OCC(N)=O |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(NC(=O)[C@@]12C([C@@](/C(=N/O)C1=O)(CC2)C)(C)C)(C)C
### Response:
CC(C)NC(=O)[C@]12CC[C@](C)(/C(=N/O)C1=O)C2(C)C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCC
Fragment 2: [3*]OCC[4*]
### Response:
CCOCCO[C@H]1CCN(Cc2cnc3cnccn23)C1 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
CC(C)=NNC(=O)C(=O)Nc1cccc2ccccc12
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1ccnn1
Fragment 2: [8*]Cn1ccnn1
### Response:
c1cn(C[C@H]2CCC[NH+](Cc3ccoc3)C2)nn1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CS[C@H]1CCC[C@H]1[NH+](C)Cc1noc(Cc2ccccc2)n1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
O=C(NCc1ccccc1F)c1ccc(N2CCC([NH2+]Cc3nc4ccccc4s3)CC2)cc1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [7*]Cc1ccc([16*])cc1
Fragment 2: [1*]C(=O)C[7*]
### Response:
COC(=O)c1ccc(/C=C/C(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)cc1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
COc1ccc(F)c(NC(=O)c2oc(C)cc2C)c1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(N2C(=O)c3cnc4c(c(C)nn4-c4ccccc4C)c3C2=O)cc1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(C)c(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c(C)n1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+](C)C
Fragment 2: [1*]C(=O)c1cccc([N+](=O)[O-])c1
### Response:
Cc1cc(Cl)cc2sc(N(CCC[NH+](C)C)C(=O)c3cccc([N+](=O)[O-])c3)nc12 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCNC(=O)c1sc(C)nc1C
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@]1(C#N)CCC[C@@H]([NH+]([5*])C)C1
Fragment 2: [15*]C1CCCCC1
### Response:
CC(C)N[C@]1(C#N)CCC[C@@H]([NH+](C)C2CCCCC2)C1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(NCc1ccco1)[C@H]1[NH+]=c2ccccc2=C1Sc1ccc(Cl)cc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
C[C@H](CC(=O)Nc1c(F)cccc1Br)c1ccccc1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOC(=O)Cc1csc(NC(=O)c2ccc(C(F)(F)F)cc2)n1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(Nc1ccc(-c2cc[nH]n2)cc1)N1CCC(Oc2ccccc2)CC1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
CCS(=O)(=O)c1ccc(NC(=O)[C@@H](NC(=O)c2cccs2)C(C)C)cc1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1CCN(C(=O)c2cnc(-c3ccccc3)s2)C[C@@H]1O
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
CCCCn1c(N)c(N(C)C(=O)CSc2ccc(F)cc2)c(=O)[nH]c1=O
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)=C1[C@H]2CC[C@@H]1[C@H]1C(=O)N(NC(=O)COc3ccc(Cl)c(C)c3)C(=O)[C@@H]12
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1(C[C@@H]2[NH2+]C[C@H]1C2)c1c(C)cccc1
### Response:
Cc1ccccc1N1C[C@H]2C[C@@H]1C[NH2+]2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cc2c(cc1OC)CN(C(=O)CCCNC(C)=O)CC2
### Response:
4 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
O=Cc1c(-c2cccnc2)[nH]c2ccccc12
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C/C(=C/C(=O)N(C)C[C@H]1CC[NH+](C)C1)c1ccc(F)cc1F
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)CS[11*]
Fragment 2: [4*]Cc1c(C)nn(C)c1Cl
### Response:
Cc1nn(C)c(Cl)c1CSCC(=O)N(C)[C@@H]1CCCc2ccccc21 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1ccccc1C(=O)Nc1ccc(OCC(=O)[O-])c(-c2nc3ccccc3s2)c1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
Nc1ccc2nc(N[C@@H]3C[C@H]4CC[C@@H]3C4)oc2c1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
COc1ccc([C@H](O)[C@@H](C)NC(=O)[C@@H](C)SC)cc1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cccc(S(=O)(=O)CC)c1
Fragment 2: [14*]c1noc([14*])n1
### Response:
CCS(=O)(=O)c1cccc(-c2nc(CCOC)no2)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CN([C@H](CNC(=O)NCc2sc(cc2)CC)C(C)C)CC[NH+]1C
### Response:
CCc1ccc(CNC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)s1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(N1CCCC[C@@H]1[C@H]1C(CCC1)=O)c1cc(C)oc1C
### Response:
Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CCCC2=O)c(C)o1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(F)ccc(SCC(N2CCN(C(=O)C3CC3)CC2)=O)cc1
### Response:
O=C(CSc1ccc(F)cc1)N1CCN(C(=O)C2CC2)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc([C@@H](C)NC(=O)CC[C@@H](C)O)cc1OC
### Response:
5 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CCCn1nccc1[C@H]([NH3+])[C@H]1CSCCS1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)N(CC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(C)c(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)c1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)C1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CNC(=O)c1ccc(CN(C)C(=O)C[C@H](NC(C)=O)c2cccs2)cc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
CCOc1ccc(/C=C/C(=O)Oc2ccccc2)cc1OC
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CCC[C@@H]1CC[C@@H]([C@@H](C1)[NH+]1CC(NCC1)=O)C[NH3+]
### Response:
CCC[C@@H]1CC[C@H](C[NH3+])[C@H]([NH+]2CCNC(=O)C2)C1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Nc1cc(C(=O)O[C@H](C(=O)NC2CC2)c2ccccc2)ccc1Cl
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
CC[C@@H](C)n1ncc(C(=O)NNc2ccc(C(F)(F)F)nn2)c1C1CC1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H](CO)NC(=O)NC[C@H]1Cc2ccccc2O1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCC[C@H]([15*])C1
Fragment 2: [1*]C(=O)CC
### Response:
CCC(=O)Nc1cccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)n2)c1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)c2O1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(N1[C@@H](Cc2ccccc2C1)C(N)=O)CCC(=O)c1ccccc1
### Response:
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccccc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1C(=O)[C@@H](N(CC)C(=O)C[C@@H](O)c2ccc(Cl)cc2)CC=1[O-]
### Response:
CCN(C(=O)C[C@@H](O)c1ccc(Cl)cc1)[C@H]1CC([O-])=NC1=O |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C[4*]
Fragment 2: [5*]N1CCCC1
### Response:
CC1(C)Cc2nc3oc4c(SCC(=O)N5CCCC5)ncnc4c3cc2CO1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
CN(C(=O)CSc1nnc(-c2ccccc2F)o1)c1ccccc1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCO[C@@H]1C[C@@H]([NH+](C)Cc2ccc(-n3cncn3)c(C)c2)C12CCC2
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(C[NH+]2CCC[C@H](C2)CCO)c(c(OC)ccc1)O
### Response:
COc1cccc(C[NH+]2CCC[C@@H](CCO)C2)c1O |
functional_group | ### Instruction:
Does the molecule contain a halide group?
N#C/C(=C\c1ccc(-c2cc(C(=O)[O-])ccc2Cl)o1)C(=O)N1CCOCC1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(OCC)c(cc1)[C@@H]1O[C@H]([C@H](C[NH+]2[C@@H](c3[nH]c4cc(ccc4n3)F)CCC2)N1)C
### Response:
CCOc1ccccc1[C@H]1N[C@@H](C[NH+]2CCC[C@@H]2c2nc3ccc(F)cc3[nH]2)[C@H](C)O1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccccc1CCNC(=O)[C@@H](C)Sc1nnnn1C(C)(C)C
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*][C@@H]1C[C@@H]1/C([O-])=N/S(=O)(=O)CCCF
Fragment 2: [16*]c1ccccc1
### Response:
O=S(=O)(CCCF)/N=C(\[O-])[C@H]1C[C@H]1c1ccccc1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCCCC1([C@H]2CC(=O)N(c3ccccc3)C2=O)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCOCCOC(=O)Nc1c(C)cccc1CC
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(C(F)(F)F)cncc1C#N
### Response:
N#Cc1cncc(C(F)(F)F)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(N1CCN(c2ccc(OC)cc2)CC1)[C@H](c1ccc(cc1)CC)O
### Response:
CCc1ccc([C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
COc1ccc(NCC(=O)Nc2c(C)cc(C)cc2C)cc1OC(F)F
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
c1ccc([C@@H](c2ccncc2)c2ccccn2)cc1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cc(S(=O)(=O)NC)oc1C
Fragment 2: [5*]NCc1cccs1
### Response:
CNS(=O)(=O)c1cc(C(=O)NCc2cccs2)c(C)o1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)c1nnc(C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)o1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)[C@@H]1C[C@H](CC(=O)N2CCC3(CC2)NC(=O)c2ccccc2O3)C1(C)C
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1c(-c2ccccc2)nccc1NC([C@@H](NC(=O)OC)C(C)C)=O
### Response:
COC(=O)N[C@H](C(=O)Nc1ccnc(-c2ccccc2)n1)C(C)C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12ccccc1cc(S(=O)(=O)N[C@@H]1[C@@H](CCCC1)C([O-])=O)cc2
### Response:
O=C([O-])[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc2ccccc2c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccc(C)c1NC(=O)C[NH+]1CCC[C@H]([C@@H](C)O)C1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)CC[8*]
Fragment 2: [7*]Cc1ccc(Cl)cc1
### Response:
O=C(CCc1ccccc1)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Nc1c(N(C(=O)/C=C/c2ccc3c(c2)OCO3)C2CCCC2)c(=O)[nH]c(=O)n1Cc1ccccc1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cccc2c1N[C@](c1ccc(Cl)cc1)(N(CC=C)C2=O)C
### Response:
C=CCN1C(=O)c2ccccc2N[C@]1(C)c1ccc(Cl)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@H](CNC(=O)/C=C/c1ccc(C)o1)(CCO)CC
### Response:
CC[C@H](CCO)CNC(=O)/C=C/c1ccc(C)o1 |
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