task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CN([C@H]1CCc2c(cccc2)C1)C(=O)c1cc(F)c(S(=O)(=O)N)cc1
### Response:
CN(C(=O)c1ccc(S(N)(=O)=O)c(F)c1)[C@H]1CCc2ccccc2C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(ccc(c1)C(N1CC[C@]2(CCCC[C@H]2C1)O)=O)OC
### Response:
COc1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
O=C(C[C@@H](C(=O)[O-])[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(F)cc1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1ccc(C(=O)CCC(=O)Nc2cc(C(C)C)n[nH]2)cc1
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccccc1
Fragment 2: [16*]c1ccccc1
### Response:
CNC(=O)CC[NH+](C)Cc1ccccc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cn1cc(Nc2nc3ccc([N+](=O)[O-])cc3o2)cn1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
CC(C)CNC(=O)c1ccc2c(=O)n(C(C)C)c3nn(Cc4c(F)cccc4Cl)c(=O)n3c2c1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(CNc1ccccc1F)NCc1cccs1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(F)cc1
Fragment 2: [1*]C(=O)C1CC[NH+](C)CC1
### Response:
COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)C2CC[NH+](C)CC2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2CCC[C@@H]2O)c(C)c1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(Cl)cc3)[C@@H]2C1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@H](NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CC1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]Oc1ccc2c(C)cc(=O)oc2c1
Fragment 2: [1*]C(=O)c1ccc(OC)cc1OC
### Response:
COc1ccc(C(=O)Oc2ccc3c(C)cc(=O)oc3c2)c(OC)c1 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
CCc1nn(C)cc1CNc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nn(-c2ccccc2)c(CN2CCNC(=O)C2(C)C)c1C#N
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(Cl)cc1N(CC(=O)NN=C1CCN(C)CC1)S(=O)(=O)c1ccc(C)cc1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1n[nH]cc1[N+](=O)[O-]
Fragment 2: [3*]OCC(F)F
### Response:
O=C(Nc1ccc(F)cc1OCC(F)F)c1n[nH]cc1[N+](=O)[O-] |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccccc1COc1ccc2nc3n(c(=O)c2c1)CCC3
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [12*]S(=O)(=O)CC
Fragment 2: [5*]N1CCC([15*])CC1
### Response:
CCS(=O)(=O)N1CCC(NS(=O)(=O)c2cc(C)ccc2F)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1(C([C@H](C)SC)=O)C[C@@H](O)CCC1
### Response:
CS[C@@H](C)C(=O)N1CCC[C@H](O)C1 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
Cc1ccc([C@H](CC(=O)[O-])NC(=O)C(F)(F)F)cc1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCC
Fragment 2: [16*]c1ccccc1
### Response:
CCOC(=O)C[C@H](C)CNC(=O)N1C[C@H](C)[C@@H]1c1ccccc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(ccc(CN2[C@@H](c3oc(C)nn3)Cc3c(cccc3)C2)cc1F)Cl
### Response:
Cc1nnc([C@H]2Cc3ccccc3CN2Cc2ccc(Cl)c(F)c2)o1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
COc1cc(C(=O)N[C@H](C)Cc2cccs2)cc(OC)c1OC
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc([N+]([O-])=O)ccc1CN1CCN(CC1)c1c(C#N)cccc1
### Response:
N#Cc1ccccc1N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN(C[C@H](C)C#N)C(=O)Nc1ccc(OC)c(C)c1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N(C)C[8*]
Fragment 2: [5*]N1CCC([15*])CC1
### Response:
CN(CC1CCN(C(=O)c2ccnc(F)c2)CC1)C(=O)OC(C)(C)C |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC[S@](=O)[C@H]1CCC[C@H](NC(=O)NCCSc2ccccc2F)C1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CC(CCN1C(=O)c1ccc(C#N)cc1)Cn1cnc2c1cc(C)c(C)c2
### Response:
Cc1cc2ncn(CC3CCN(C(=O)c4ccc(C#N)cc4)CC3)c2cc1C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@@H](CC)C[C@@H](C)CO
Fragment 2: [5*]Nc1cncc(Br)c1
### Response:
CC[C@@H](C[C@@H](C)CO)Nc1cncc(Br)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@@](C)([NH3+])C(=O)N[C@H](C)c1cccnc1
### Response:
4 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(NCCC1=CCCCC1)c1cccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)c1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
COC(=O)c1ccccc1OC(=O)c1nn(C)c(=O)c2ccccc12
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CC[C@H]([NH+]1Cc1c(N2CC[NH+](CC2)CCC)cccc1)C(NC)=O
### Response:
CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC[C@H]2C(=O)NC)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1nnc([14*])n1
Fragment 2: [16*]c1ccccc1F
### Response:
O=C(Cn1nnc(-c2ccccc2F)n1)NC1CCCC1 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
CC(=O)Nc1ccc(NC(=O)NCc2cccc(C#N)c2)cc1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CC(C)([C@@H](O)Cc1ccc(Cl)cc1Cl)[NH+]1CCCCC1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](O)C(C)(C)C[NH+](CCO)C1CCCC1
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)N([5*])C
Fragment 2: [16*]c1ccc(C)cc1
### Response:
Cc1ccc(-c2nc(CCN(C)C(=O)Nc3ccc(C)c(Cl)c3)no2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COCCc1cc(NC(=O)C(C)(C)F)n(C)n1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cc(Cl)c(Cl)n1C
Fragment 2: [5*]N[C@H]1CCCC[C@@H]1[15*]
### Response:
COC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1cc(Cl)c(Cl)n1C |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
CCCn1/c(=N/C(=O)[C@@H](CCSC)NC(N)=O)[nH]c2ccccc21
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]Oc1ccc(N[5*])cc1Cl
Fragment 2: [3*]OC1CCCC1
### Response:
C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [6*]C(C)=O
Fragment 2: [10*]N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@@H]2C1
### Response:
CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@@H]3C2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
CC(C)(c1ccccc1)[C@H](OC(=O)C[C@@H]1COC(=O)C1)C(F)(F)F
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Clc1ccc([C@H](O)CC(N2CC(OCC2)(C)C)=O)cc1
### Response:
CC1(C)CN(C(=O)C[C@@H](O)c2ccc(Cl)cc2)CCO1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1(=O)N(C(=O)[C@@H](CC(Nc2ccc(cc2)CC)=O)N1Cc1ccco1)c1ccccc1
### Response:
CCc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2Cc2ccco2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@H](C)O[3*]
Fragment 2: [4*]Cc1ccccc1
### Response:
C[C@H](Oc1ccc(Br)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]Oc1ccc(OC)cc1
Fragment 2: [14*]c1cccs1
### Response:
COc1ccc(O[C@H](C)C(=O)N(C)[C@@H](C)Cc2cccs2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
CCOc1ccccc1NC(=O)[C@@H]1C=C(c2ccccn2)N=N1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
S(CC(c1c([nH]c2c1cccc2)C)=O)c1n(c(nn1)-c1cc2OCCOc2cc1)C
### Response:
Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(-c2ccc3c(c2)OCCO3)n1C |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1cc2c(cc1OC)[C@H](C(=O)NCCc1ccc(Cl)cc1)[C@H](c1cccs1)N(C)C2=O
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(cccc1C=O)S[C@H]1CCOC2(C1)CCCCC2
### Response:
O=Cc1cccc(S[C@H]2CCOC3(CCCCC3)C2)c1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
CCCS(=O)(=O)[C@H](C)C(=O)N1CC[C@@H](C(N)=O)c2ccccc21
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)no1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(cc([C@@H](CC(=O)[O-])NC(OC(C)(C)C)=O)cc1)C
### Response:
Cc1cccc([C@@H](CC(=O)[O-])NC(=O)OC(C)(C)C)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C[NH+]([5*])C
Fragment 2: [5*][NH+](C)[C@H](C)CC
### Response:
CC[C@@H](C)[NH+](C)CC(=O)NC1CC[NH+](CC)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [6*]C(C)=O
Fragment 2: [5*]NC[C@@H]1Cc2cc(F)cc([16*])c2O1
### Response:
CC(=O)c1ccc(-c2cc(F)cc3c2O[C@H](CNC(=O)CC(C)C)C3)s1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
COc1cc([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@H]([8*])C
Fragment 2: [1*]C(=O)C[4*]
### Response:
C#CCN1CCN(CC(=O)N[C@@H](C)c2ccccc2OC)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1
Fragment 2: [14*]c1cc([14*])n2ncnc2n1
### Response:
O[C@H]1CCCN(c2cc(-c3ccccc3)nc3ncnn23)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@@H](C)O[3*]
Fragment 2: [3*]Oc1cccc(C)c1
### Response:
Cc1cccc(O[C@H](C)C(=O)N[C@@]2(C)CCS(=O)(=O)C2)c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)[S@@](=O)c1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
C[C@H]([NH2+][C@H](C)C(=O)Nc1cc(F)ccc1F)c1ccc2c(c1)OCCO2
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Fc1ccc2c(c1)CN(Cc1ccc(N3CCOCC3)c(F)c1)CC2
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1(c2ccccc2)N=C(C(=O)N[C@@H](c2c(oc(c2)C)C)C)C[C@H]1C(=O)C
### Response:
CC(=O)[C@@H]1CC(C(=O)N[C@H](C)c2cc(C)oc2C)=NN1c1ccccc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(F)cc2OC(F)F)C1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCC[C@H]1[13*]
Fragment 2: [5*]N(C)C
### Response:
CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+]1CCC([15*])CC1
Fragment 2: [4*]Cc1ncoc1[14*]
### Response:
CC(C)c1ocnc1C[NH+]1CCC(N2CCCCC2=O)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cc([16*])ccc1N
Fragment 2: [8*]C(F)(F)F
### Response:
C[C@@H](CC#N)N(C)C(=O)c1cc(C(F)(F)F)ccc1N |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1[NH+]=c2ccccc2=C1CCNC(=O)NC(=O)c1c(F)cccc1F
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
C[C@@H](CC(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccccc1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@H]1CCC[C@H]([C@H](O)C(C)(C)[NH+](C)C)C1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(C)nc(SCC(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)n1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CCCC1[C@H](NC([C@H](C)OC)=O)c1c(cccc1)F
### Response:
CO[C@@H](C)C(=O)N[C@H](c1ccccc1F)C1CCCC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN1C(=O)C([O-])=C(C(=O)/C=C/c2ccco2)[C@@H]1c1ccc(C(C)C)cc1
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@@H](CO)[C@@H](C)NC(=O)Nc1ccccc1OC(C)(C)C
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cn1c(C(=O)Nc2cnc(-c3ccccc3)s2)cccc1=O
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccccc1C
Fragment 2: [8*]C(F)(F)F
### Response:
Cc1ccccc1C[NH+]1CCC(c2cc(C(F)(F)F)n3ncnc3n2)CC1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
Cc1nn(C)c(Cl)c1CS[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CC(C)CNC(=O)c1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2C)cc1Cl
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCOC(=O)C[C@]1([NH+](CC)CC)CCCS[C@H]1C
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
COc1ccc(CS(=O)(=O)Cc2cccc(Cl)c2)cc1[N+](=O)[O-]
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1c(scc1CC(=O)OC[C@@H]1C(Cl)(C1)Cl)-c1ccc(o1)C
### Response:
Cc1ccc(-c2nc(CC(=O)OC[C@H]3CC3(Cl)Cl)cs2)o1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(c1ccn(-c2cccc([N+](=O)[O-])c2)n1)N(CCO)Cc1ccccc1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(nn(c(c1)C)COc1c(Cl)cc(cc1)Cl)N
### Response:
Cc1cc(N)nn1COc1ccc(Cl)cc1Cl |
functional_group | ### Instruction:
Does the molecule contain a ester group?
Cn1c(N2CCC[C@@H](C(=O)NC3CCCC3)C2)[nH+]c2ccccc21
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CCc1cccs1
Fragment 2: [5*]NC(=S)N[5*]
### Response:
Cc1ccc(C)c(NC(=S)NCCc2cccs2)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccc(OC)cc1O
Fragment 2: [4*]CCC(F)(F)F
### Response:
CC[NH+](CCC(F)(F)F)Cc1ccc(OC)cc1O |
functional_group | ### Instruction:
Does the molecule contain a ester group?
CCc1nn(C)cc1NC(=O)N[C@H](CO)C1CC1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)(C)[C@H]1C=CCN1C(=O)[O-]
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CC[C@@H]([8*])[NH3+]
Fragment 2: [5*][NH+](C)C
### Response:
COc1ccc([C@@H]([NH3+])CC[NH+](C)C)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccc2c(c1)OCO2
Fragment 2: [5*]Nc1cc(Br)cn(C)c1=O
### Response:
Cn1cc(Br)cc(NC(=O)c2ccc3c(c2)OCO3)c1=O |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Clc1ccc2c(CC[C@@H]2[NH2+][C@@H](c2nc(no2)-c2nc[nH]n2)C(C)C)c1
### Response:
CC(C)[C@@H]([NH2+][C@H]1CCc2cc(Cl)ccc21)c1nc(-c2nc[nH]n2)no1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CCCC(C1)NC(c1c(sc2c1CCCC2)N1C([C@@H]2[C@@H]3O[C@@H](CC3)[C@@H]2C1=O)=O)=O
### Response:
O=C(NC1CCCCC1)c1c(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2CC[C@@H]3O2)sc2c1CCCC2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(CSc1ccc2c(c1)OCCCO2)NC(=O)c1cccs1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]C(C)(C)CC
Fragment 2: [1*]C(=O)c1ccn(C)c(=O)c1
### Response:
CCC(C)(C)C1CCC(NC(=O)c2ccn(C)c(=O)c2)CC1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cccc(OCC(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)c1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCOCC1
Fragment 2: [1*]C(=O)[C@H]([4*])C
### Response:
Cc1nnc(S[C@H](C)C(=O)N2CCOCC2)n1C |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(NCCc1cc(F)cc2c1OCOC2)[C@H]1C[C@H]1c1ccccc1Cl
### Response:
0 |
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