task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc([C@@H](NC(=O)NCCO)c2ccccc2)cc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
CCOc1cccc(CNC(=O)[C@H]2CCO[C@H]2C)c1OC(F)F
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc([C@H]2Nn3c(C)nnc3S[C@H]2C(=O)NCc2ccco2)cc1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1c(C)nc([O-])nc1SC
Fragment 2: [16*]c1ccccc1
### Response:
CSc1nc([O-])nc(C)c1C(=O)N[C@H](C)[C@H](C)c1ccccc1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
O=c1cc(-c2ccccc2)[nH]n1-c1ccc(Br)cc1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cn1ccnc1[C@@H](O)[C@@H]1CCC[NH+](C2CCC(C)(C)CC2)C1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C1CCCc2cc(Br)ccc21
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*][C@H]1/C(=C(\[O-])OCC)C(=O)N=C(SC)[C@H]1C#N
Fragment 2: [16*]c1ccccc1OC
### Response:
CCO/C([O-])=C1\C(=O)N=C(SC)[C@@H](C#N)[C@H]1c1ccccc1OC |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1([C@@](NC(N1[C@H](C(Nc1cc(Cl)ccc1OC)=O)C)=O)(C)c1cc2CCCc2cc1)=O
### Response:
COc1ccc(Cl)cc1NC(=O)[C@H](C)N1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cc2ncn(C[C@@H](O)COc3c(C)ccc(C)c3C)c2cc1C
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CN(CCc1cccs1)C(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Cc1cc(NCc2nnc(C(C)(C)C)o2)ccc1C
### Response:
Cc1ccc(NCc2nnc(C(C)(C)C)o2)cc1C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)CCN[5*]
Fragment 2: [5*]N[C@@H](C)C(C)(C)C
### Response:
COC(=O)NCCC(=O)N[C@@H](C)C(C)(C)C |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
Cc1c(-c2ccc(F)cc2)nn2c1N=C(O)C[C@H]2C(=O)Nc1ccccc1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cc(F)ccc1-c1cc(NCc2ccccn2)nc2[nH]ccc12
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
O=C(NC[C@H]1N=NC2=C1CCCCC2)[C@H]1CC=CCC1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1oc(cc1NC(CSCC(N[C@@H](C)C1CC1)=O)=O)C
### Response:
Cc1cc(NC(=O)CSCC(=O)N[C@@H](C)C2CC2)no1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]C[C@H]1CCCO1
Fragment 2: [5*]Nc1ccc2c(c1)OCO2
### Response:
C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)OCO2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C#Cc1cc(F)c(NC(=O)NCc2cccc(-c3ccccn3)c2)c(F)c1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [7*]C(C)C
Fragment 2: [4*][C@H](C)CCC[7*]
### Response:
CC(C)=CCC[C@@H](C)[NH2+]C[C@]1(O)CCOC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(CSc1cccc(C(F)(F)F)c1)N1CCN(S(=O)(=O)c2cccs2)CC1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
S1/C(=C\c2cccc(C)c2)C(N(C1=S)c1c(C)cccc1C)=O
### Response:
Cc1cccc(/C=C2\SC(=S)N(c3c(C)cccc3C)C2=O)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@H](CS)C[NH+](C)Cc1ccccc1OC
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1cnc2c(=O)[nH]c(N)nc21
Fragment 2: [13*][C@H]1O[C@H](CO)[C@@H](O)[C@H]1OC
### Response:
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@@H]1n1cnc2c(=O)[nH]c(N)nc21 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cnn(CC[NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)c1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=c1c2ccccc2nc(SCc2cccnc2)n1C1CCCCC1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
Cc1nccc(C(=O)N2CCC[NH+](Cc3cnn(C(C)C)c3)CC2)n1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1cc(C)c2sc(N(Cc3ccco3)C(=O)c3cccc(S(=O)(=O)C(C)C)c3)nc2c1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COC(=O)CNC(=O)c1sc2ncn(CC(=O)N3CCCCC3)c(=O)c2c1C
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(C(c1sccc1Br)=O)[S@](=O)c1cccc(F)c1
### Response:
O=C(C[S@](=O)c1cccc(F)c1)c1sccc1Br |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1cccs1
Fragment 2: [16*]c1ccccc1F
### Response:
C[C@H](Cc1cccs1)N(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1F |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(NC2CC2)sc(SCc2[nH]c(=O)c3c(n2)sc(C)c3C)nn1
### Response:
Cc1sc2nc(CSc3nnc(NC4CC4)s3)[nH]c(=O)c2c1C |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(NC(=O)C[NH+]2CCC[C@H]2C)cc1NC(=O)C[NH+]1CCCCC1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCCC1=NC(=O)C2=C3CCCC[C@@H]3SC2=N1
### Response:
4 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)NCc1cnc([C@@H]2CCCN2CC(=O)Nc2nccs2)cc1C(F)(F)F
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(F)cc1NC(=O)C(=O)NCCCn1cc[nH+]c1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
O=C(COc1ncnc2ccc(Br)cc12)Nc1ccccc1Cl
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cccc(OC)n1
Fragment 2: [5*]NC[C@]1([O-])CC[C@H]1[15*]
### Response:
CCS[C@@H]1CC[C@@]1([O-])CNC(=O)c1cccc(OC)n1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cccc([16*])c1
Fragment 2: [16*]c1ccoc1
### Response:
COC(=O)c1cccc(NCc2noc(-c3ccoc3)n2)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C[C@H](c1nc2c(s1)cccc2)N(CC(=O)[O-])CC#C
### Response:
C#CCN(CC(=O)[O-])[C@H](C)c1nc2ccccc2s1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCOCC1
Fragment 2: [16*]c1ccc(Br)cc1
### Response:
C[C@H](CCc1ccc(Br)cc1)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Fc1cnc2[nH]cc(I)c2c1I
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]C[C@@]1([13*])NC(=O)N([10*])C1=O
Fragment 2: [8*]Cc1ccc(F)cc1
### Response:
COCCN1C(=O)N[C@@](Cc2ccc(F)cc2)(C2CCN(C(=O)c3ccc(C)cc3)CC2)C1=O |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CCc1ccc(N2N=C(C)/C(=C\c3ccc(-c4ccc5c(c4)C(=O)OC5)o3)C2=O)cc1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
CC[C@@H](C)[C@@H](O)CSc1cccc(Br)c1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(C)C[C@@H]1[C@@H](CC[NH+]1Cc1ccccc1)C[C@H](c1ccccc1)O
### Response:
CCC[C@@H]1[C@H](C[C@@H](O)c2ccccc2)CC[NH+]1Cc1ccccc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)[C@@H](Sc1nnnn1C1CC1)C(=O)N(C)c1ccccc1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(c1c(C)ccc(c1)N)(=O)N(CC(C)C)C(CC)CC
### Response:
CCC(CC)N(CC(C)C)C(=O)c1cc(N)ccc1C |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O[C@H](CNc1ncnc2sc3c(c12)CCNC3)c1ccccc1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(=O)c1ccc(CSCCO)nc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC(C)c1ccc(-n2ncc3c(=O)n(CC(=O)NC4CCCC4)cnc32)cc1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CC[C@@H]1CCCC1=O
Fragment 2: [3*]OCC[8*]
### Response:
O=C1CCC[C@H]1CCOc1cncc(Cl)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O[C@@H](c1ccc(Cl)s1)C1([NH+]2CCCC2)CCCC1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COC(=O)/C=C/C(=O)Nc1cc(C)cc(C)c1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(=O)c1cccc(NC(=O)c2c(-c3ccccc3)noc2C)c1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C([C@@H]1[C@H]([C@@H]2CC[C@H]1O2)C([O-])=O)N1CCN(c2cc(Cl)ccc2)CC1
### Response:
O=C([O-])[C@@H]1[C@@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)[C@H]2CC[C@@H]1O2 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)Cc1ccccc1F)C2
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1c(F)cccc1Br
Fragment 2: [4*]C[C@@H](C)N[5*]
### Response:
C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1c(F)cccc1Br |
functional_group | ### Instruction:
Does the molecule contain a amine group?
C[NH+](C)[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2F)C1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(C(C)(C)C)cc1N[C@@H](C)C(=O)Nc1ccc(NC(C)=O)cc1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
COc1ccc(NC(=O)CC[C@@H]2CCCN(C(=O)CNC(C)=O)C2)c(C)c1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1(CC2=C([C@@H](NC(=O)N2C)c2ccc(cc2)Br)C1=O)c1ccc(cc1)C(OCC)=O
### Response:
CCOC(=O)c1ccc(N2CC3=C(C2=O)[C@H](c2ccc(Br)cc2)NC(=O)N3C)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(NC(CC)(C#C)CC)(=O)CSc1n(nnn1)-c1ccc(C)cc1
### Response:
C#CC(CC)(CC)NC(=O)CSc1nnnn1-c1ccc(C)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(cc(O[C@@H](C)C(=O)N2C[C@H](CC2)COCC)cc(c1)Cl)Cl
### Response:
CCOC[C@H]1CCN(C(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1cccc(C)c1NC(=O)C[C@H]1C[NH2+]CCO1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(F)cccc(F)c1N1CC[C@H](C1)N[C@@H]1[C@H](C[NH+](C(C)C)C1)C
### Response:
CC(C)[NH+]1C[C@H](N[C@@H]2CCN(c3c(F)cccc3F)C2)[C@@H](C)C1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
Cc1noc(-c2ccc(C(=O)NNC(=S)N[C@@H](C)C3CC3)cc2)n1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(c1ccc(OC2CC[NH+](CCc3ccccc3)CC2)cc1)N1CCC[C@H]1CO
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
S(Cc1c(noc1C)C)c1c(C(=O)N2C[C@@H](CCC2)O)cccn1
### Response:
Cc1noc(C)c1CSc1ncccc1C(=O)N1CCC[C@@H](O)C1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
COc1ccccc1C[NH+](C)[C@H]1CCC[C@@H]1SC
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(C)(N(c1ccc(cc1F)NC(Nc1cnn(c1)CC(F)F)=O)C)C
### Response:
CC(C)N(C)c1ccc(NC(=O)Nc2cnn(CC(F)F)c2)cc1F |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1C2CC3CC1CC(C3)(C2)C(=O)NCCC(=O)N[C@H]1CN(C(=O)CC1)C
### Response:
CN1C[C@H](NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)CCC1=O |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1nc([C@@H]([4*])C)no1
Fragment 2: [3*]OCC
### Response:
CCO[C@@H](C)c1noc(CN2CC[NH+]([C@H]3CCCc4ccccc43)CC2)n1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2C(F)(F)F)[nH]1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1scc(C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4ncnc4N3)C2)c1C
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O[C@H](Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cn1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cc(CN(Cc2ccccc2)C[C@@H](O)c2ccco2)on1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
Cc1cnc(C(C)(C)NC(=O)CCc2ccco2)s1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1sc([14*])cc1OC
Fragment 2: [16*]c1ccccc1
### Response:
COc1cc(-c2ccccc2)sc1C(=O)NCc1nc2ccccc2[nH]1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O(Cc1sccc1)C[C@H](Cn1ncc2c(c1=O)cccc2)O
### Response:
O=c1c2ccccc2cnn1C[C@H](O)COCc1cccs1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CSCC[C@@H](C)N(C)C(=O)NCc1cc(Cl)c2c(c1)OCCO2
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]C[C@H]1CCC[NH+](C)C1
Fragment 2: [5*][NH2+]C[C@H](CC)CCO
### Response:
CC[C@H](CCO)C[NH2+]C[C@H]1CCC[NH+](C)C1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@@H]([8*])CC
Fragment 2: [1*]C(=O)[C@@H]1CC[C@H](C[NH3+])O1
### Response:
CC[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccc(C)cc1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
Cc1nc(N2CCC[C@@H](C(=O)NCC3CC3)C2)c2cc[nH]c2n1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OC[C@H](C#N)C[8*]
Fragment 2: [16*]c1ccccc1
### Response:
C[C@@H]1c2ccccc2O[C@@H]1C(=O)OC[C@H](C#N)Cc1ccccc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccccc1NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H]1CC(C(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)C[C@H](C)O1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
COc1ccc(C[NH+](C)CC(N)=O)c(OC)c1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=S(c1cc(C(NC23CC4CC(C3)CC(C2)C4)=O)ccc1)(=O)Nc1ccc(cc1)OC
### Response:
COc1ccc(NS(=O)(=O)c2cccc(C(=O)NC34CC5CC(CC(C5)C3)C4)c2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
Cc1ccc(/C=C/C(=O)N2CC[C@H](C(N)=O)c3ccccc32)o1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C[C@@H]1N=C2c3ccccc3N=C(SCC(=O)Nc3ccccc3Cl)N2C1=O
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)Nc1c(C)nn(-c2ccc(Cl)cc2)c1N1CCC(C(=O)NCCc2ccccc2)CC1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCC[C@@H](CS)C[NH+](C)Cc1ccncc1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(ccc1OC)NC(=O)Nc1ccccc1CC
### Response:
CCc1ccccc1NC(=O)Nc1ccc(OC)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[C@@H](N(C(=O)c2ccccc2OC)c2ccc(cc2)C)CS(C=1)(=O)=O
### Response:
COc1ccccc1C(=O)N(c1ccc(C)cc1)[C@@H]1C=CS(=O)(=O)C1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](CC)c1ccc(C)cc1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)C[C@@H]1N[C@]2(C(=O)N(Cc3ccccc3F)c3ccccc32)[C@@H]2C(=O)N(C)C(=O)[C@H]12
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[C@@H](CN(Cc2csc(n2)-c2ccco2)C[C@@H]1C)[NH3+]
### Response:
C[C@@H]1C[C@H]([NH3+])CN(Cc2csc(-c3ccco3)n2)C1 |
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