task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CCC([C@@H](c2occc2)O)(C1)[NH+](CC)CC
### Response:
CC[NH+](CC)C1([C@H](O)c2ccco2)CCCC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(S(=O)(=O)N2Cc3nn(C)c(n3CC2)=O)cn(nc1)C(C)C
### Response:
CC(C)n1cc(S(=O)(=O)N2CCn3c(nn(C)c3=O)C2)cn1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccncc1
Fragment 2: [6*]C(=O)N/N=C/c1ccoc1
### Response:
O=C(N/N=C/c1ccoc1)c1ccncc1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C/C(=C\c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [7*]Cc1ccccc1[16*]
Fragment 2: [7*]C1SC(=O)NC1=O
### Response:
NC(=O)COc1ccccc1/C=C1/SC(=O)NC1=O |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@H](C)N[5*]
Fragment 2: [5*]NCC(C)(C)CCO
### Response:
C[C@H](NC(=O)NCC(C)(C)CCO)C(=O)N1CCc2ccccc21 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)Oc1ccc2c(c1)CC[C@@H]1C2=CC[C@]2(C)[C@@H](OC(C)=O)CC[C@H]12
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C=CCNC(=O)c1csc(-c2ccnc(N3CCCCC3)c2)n1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [11*]SCC
Fragment 2: [5*]N1CCCC[C@@H]([15*])C1
### Response:
CCS[C@@H]1CCCCN(C(=O)c2ccc3c(c2)ncn3C)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN(CC(F)(F)F)C(=O)CNC(=O)NCCc1cccc(O)c1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(C1CS[C@@H]2[C@@H](NC(c3c(cc(cc3)F)F)=O)C(N2C=1C([O-])=O)=O)Sc1sc(C)nn1
### Response:
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)c4ccc(F)cc4F)[C@H]3SC2)s1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[C@H](CCCN1C(NC[C@@H](C(CC)CC)N1CCOCC1)=O)O
### Response:
CCC(CC)[C@H](CNC(=O)N1CCC[C@H](O)C1)N1CCOCC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1nnc([14*])n1
Fragment 2: [1*]C(=O)C[8*]
### Response:
COc1ccc(-c2nnn(CC(=O)Nc3ccccc3SC)n2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1cccs1
Fragment 2: [1*]C(=O)[C@@]1(C[8*])CCC[NH+]([5*])C1
### Response:
CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCC[NH+](Cc2cnc(N)nc2)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(C)Oc1ccccc1NC(c1c(c(ccc1Cl)Cl)OC)=O
### Response:
CCOc1ccccc1NC(=O)c1c(Cl)ccc(Cl)c1OC |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O(CC(N[C@H](c1ccc(cc1)Br)C)=O)c1ccc(cc1C)C
### Response:
Cc1ccc(OCC(=O)N[C@@H](C)c2ccc(Br)cc2)c(C)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(=O)C1CC[NH+]([C@H](c2cccc(OC)c2)c2sc3nc(C)nn3c2[O-])CC1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(cc2c(OCC(N2CC(Nc2ccc(cc2)Cl)=O)=O)cc1)S(=O)(=O)N1CCCCC1
### Response:
O=C(CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc21)Nc1ccc(Cl)cc1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
C[C@@H]1CC(C(=O)Nc2ccc(-c3csnn3)cc2)C[C@H](C)O1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC(C)(C)c1ncc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)s1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCN[C@@]1(C(=O)[O-])CC[C@H]([NH+]2CCC(C(C)(C)C)CC2)C1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(c1cccc(Oc2ccccc2)c1)N1CCN(S(=O)(=O)c2ccccc2F)CC1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[NH+]([C@@H](C(=O)N(c2ccccc2)CCC#N)C)CC(C)(C)C1
### Response:
C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(C)(C)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccc(OC)cc1
Fragment 2: [5*]N([5*])Cc1ccco1
### Response:
COc1ccc(C(=O)N(Cc2ccco2)Cc2c(F)cccc2Cl)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cn1nnnc1-c1cccc(NC(=O)c2ccccc2Br)c1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C/[NH+]=C(/NCCc1csc(C)n1)NCc1nccc2ccccc12
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccccc1OCCCC(=O)N[C@@H]1CCS(=O)(=O)C1
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]Oc1ccccc1OC
Fragment 2: [1*]C(=O)c1ccc([16*])cc1
### Response:
COc1ccccc1OC(=O)c1ccc(OCC(C)C)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(CC(=O)C[NH+](C)C)cc1F
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
O=C(c1ccc(N2CCCC2)c(F)c1)N1CCN(CC(F)F)CC1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Fc1ccc(cc1)N(S(c1c[nH]c2nccc(c12)Cl)(=O)=O)C
### Response:
CN(c1ccc(F)cc1)S(=O)(=O)c1c[nH]c2nccc(Cl)c12 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CS(=O)(=O)N[C@@H]1CCC[NH+](CCc2ccc(OC(F)(F)F)cc2)C1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
CC[C@@H]1CCCCN1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1csc(N)c1C#N
Fragment 2: [14*]c1ccc(C)s1
### Response:
Cc1ccc(-c2csc(N)c2C#N)s1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CCN(Cc1cccs1)C(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[C@H](CN(CC1)C(=O)CCc1cccc(F)c1)n1cc(C(OCC)=O)cn1
### Response:
CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)CCc3cccc(F)c3)C2)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1N(CCO[C@@H]1c1cccs1)C(=O)CSc1nnnn1C
### Response:
Cn1nnnc1SCC(=O)N1CCO[C@H](c2cccs2)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(S(=O)(/N=c1\sc2c([nH]1)CC[NH2+]C2)=O)C=C
### Response:
C=CCS(=O)(=O)/N=c1/[nH]c2c(s1)C[NH2+]CC2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1(C(=O)c2c[nH]nc2C)CCC[C@H](C1)n1c2ccc(F)cc2nn1
### Response:
Cc1n[nH]cc1C(=O)N1CCC[C@@H](n2nnc3cc(F)ccc32)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccccc1[16*]
Fragment 2: [5*]NCc1ccccc1[16*]
### Response:
O=C(NCc1ccccc1OC1CCCC1)N1CCN(c2ncccn2)CC1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H](Cc1ccsc1)[NH2+][C@@H](C)[C@H](O)Cc1ccccc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [12*]S(=O)(=O)c1cn(C)cn1
Fragment 2: [5*]Nc1cc(C)cc(C)c1
### Response:
Cc1cc(C)cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nc(-c2cccs2)sc1C(=O)N1CCNC(=O)C1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
CCCN(CC#N)Cn1nc(N2CCCC2)sc1=S
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC1=C(C#N)C(=O)N(C2CCCCC2)C(=O)/C1=C\Nc1ccc(Cl)cc1Cl
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OC(C)C
Fragment 2: [1*]C(=O)COC
### Response:
COCC(=O)N1CCN(C(=O)/C=C/c2ccc(OC(C)C)cc2)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(OC)c(OC)ccc(C([C@H]2CN(Cc3cnc(s3)N(C)C)CCC2)=O)c1
### Response:
COc1ccc(C(=O)[C@@H]2CCCN(Cc3cnc(N(C)C)s3)C2)cc1OC |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
COc1c(Br)cc(Br)cc1[C@@H]1Nc2ccccc2C(=O)N1C[C@H]1CCCO1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N(c1cc2cc[nH]c2cc1)C(=O)NC[C@@H](O)c1cccc(c1)OC(F)F
### Response:
O=C(NC[C@@H](O)c1cccc(OC(F)F)c1)Nc1ccc2[nH]ccc2c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cccc(F)c1
Fragment 2: [16*]c1ccccc1[16*]
### Response:
N#C[C@H](Nc1cccc(F)c1)c1ccccc1C1CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(NC(NCCCN2C(=O)NC3(CCCC3)C2=O)=O)cc(CN2CCOC2=O)c1
### Response:
O=C(NCCCN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(CN2CCOC2=O)c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cc([C@H](O)Cc2c(F)cccc2F)cc(C)c1F
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCc1ncn(C)n1
Fragment 2: [16*]c1ccc(Br)cc1
### Response:
Cc1cc(C(=O)NCc2ncn(C)n2)nn1-c1ccc(Br)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(=O)Nc1c(C)cc(NC(=O)N[C@@H](C)[C@H](C)CO)cc1C
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
CC[C@H]1C[NH2+]CCC12CCC2
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CCc1n[nH]c(SCc2ccc(OCC(C)C)cc2)n1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C#CCOc1ccccc1CN1CCN(C2=[NH+]C[C@@H](C)S2)CC1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@](C)(C#N)[C@]1(O)CCS(=O)(=O)C1
### Response:
4 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COCC(=O)N1CCN(Cc2nncn2C(C)C)[C@H]2CS(=O)(=O)C[C@H]21
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCn1c(C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)nn(CCOC)c1=O
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1(C[C@@H](C)CCC1)c1nc(c(-c2cc3OCOc3cc2)cn1)-c1cccnc1
### Response:
C[C@H]1CCCN(c2ncc(-c3ccc4c(c3)OCO4)c(-c3cccnc3)n2)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(CCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccncc1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
NC(=O)c1ccccc1N[C@@H]1CCCCC[C@@H]1C(=O)[O-]
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCC(F)(F)F
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(COC(=O)c1ccccc1Br)c1ccc(Br)cc1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C[S@@](=O)[C@@H]([8*])CC
Fragment 2: [16*]c1ccccc1
### Response:
CC[C@H](c1ccccc1)[S@](=O)CC(=O)Nc1cccc(C#N)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@H]1CC(=O)N([10*])C1
Fragment 2: [5*]N1CCCC[C@@H]1CC
### Response:
CC[C@H]1CCCCN1C(=O)N[C@H]1CC(=O)N(C2CC2)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1C[C@@H](C(N)=O)C[NH+]([C@@H]1C)CCOC1CCCCCC1
### Response:
C[C@@H]1CC[C@@H](C(N)=O)C[NH+]1CCOC1CCCCCC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC(C)C[C@H](C(=O)OC)NC(=O)[C@@H]1O[C@H](CC1)C[NH3+]
### Response:
COC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1CC[C@H](C[NH3+])O1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(-c2cc(C(=O)N3Cc4ccccc4C[C@H]3C(N)=O)on2)cc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N(C)C[8*]
Fragment 2: [13*][C@@H]1CCCO1
### Response:
CN(C[C@@H]1CCCO1)C(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(Nc1ccccc1)c1nnc([C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)s1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
C[C@H](NS(C)(=O)=O)C(=O)NCCCn1ccc2ccccc21
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@H]1CC(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C([C@H](Sc1nc2c(cccc2)c(n1CC)=O)C)(N1C[C@@H](C)C[C@@H](C1)C)=O
### Response:
CCn1c(S[C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)nc2ccccc2c1=O |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(c(cccc1)NC([C@@H](n1c(N)nnc1SC)CC)=O)F
### Response:
CC[C@@H](C(=O)Nc1ccccc1F)n1c(N)nnc1SC |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(C)=O
Fragment 2: [15*][C@H]1CCS(=O)(=O)C1
### Response:
CC(=O)Nc1ccc(OC[C@@H](O)CN2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
N/C(=N/O)[C@@H]1CN(C(=O)[C@H]2CCCCO2)CCO1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
O=C1[C@H](N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)CCN1c1ccccc1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(OC(=O)c2cccc(C(=O)Oc3ccc(C)cn3)n2)nc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
Cc1ccc2[nH]nc(C(=O)OC[C@H](C#N)Cc3cccs3)c2c1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCc2nnc([14*])n2CC1
Fragment 2: [14*]c1ccc(C)s1
### Response:
Cc1ccc(-c2cc(C(=O)N3CCc4nnc(C(C)C)n4CC3)[nH]n2)s1 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
COc1ccc(C(=O)Oc2ccc(/C=C3\C(=N)N4OC(C)=CC4=NC3=O)cc2OC)cc1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(NCc2ccccc2O)c(C)n1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@@H](C(=O)[O-])[C@@H](N[S@](=O)C(C)(C)C)C(C)(C)C
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccc2c1OCO2
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CSC[C@H](NC(=O)NCCc1ccncc1)c1ccccc1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(C(=O)NNC(=S)NCCc2ccc(Cl)cc2)c(C)o1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)c1cccc2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@H]21
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccccc1NC(=O)C(=O)NC[C@@H](c1cccnc1)N1CCc2ccccc2C1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1nccn1C
Fragment 2: [5*][NH+]1CCC([15*])CC1
### Response:
Cc1ccc(NC(=O)C[NH+]2CCC([C@H](O)c3nccn3C)CC2)cc1C |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CN(C)C(=O)C[NH+]1CCCN(C(=O)c2ccc(-n3cccc3)cc2)CC1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(-c2nnc(C[NH+]3CCC[C@@H]3c3cccc(Cl)c3)o2)cc1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@@H](C)N1C(=O)/C(=C/c2c(N[C@H](C)c3ccccc3)nc3ccc(C)cn3c2=O)SC1=S
### Response:
4 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(OC)c([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(-c4ccccc4)nc(=O)c32)c1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(C)(C)(COC(=O)c1c(c(ccc1F)OCC)F)C1OCC(CO1)(C)C
### Response:
CCOc1ccc(F)c(C(=O)OCC(C)(C)C2OCC(C)(C)CO2)c1F |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cccc2[C@@H](O)C[NH+](Cc21)Cc1cc2cc(ccc2[nH]c1=O)OC
### Response:
COc1ccc2[nH]c(=O)c(C[NH+]3Cc4ccccc4[C@@H](O)C3)cc2c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(Nc1cccc(Cn2cccnc2=O)c1)N1CCN(CCOc2ccccc2)CC1
### Response:
4 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(Nc1n(-c2nc(c(c(C)n2)C)[O-])nc(C)c1)C(NCCC1C[NH+]=c2ccccc2=1)=O
### Response:
Cc1cc(NC(=O)C(=O)NCCC2=c3ccccc3=[NH+]C2)n(-c2nc(C)c(C)c([O-])n2)n1 |
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