task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
N[C@@H](C[NH3+])c1ccc(-c2cccnc2)cc1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1cccc([16*])c1=O
Fragment 2: [8*]C(F)(F)F
### Response:
O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCCc2c(Cl)ccc(F)c21 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccncc1
Fragment 2: [8*][C@H]([NH2+]C)[C@H]1CCc2cccnc21
### Response:
C[NH2+][C@@H](c1ccncc1)[C@H]1CCc2cccnc21 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[NH2+]CCC(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH2+][C@H](Cc1ccc(Br)cc1)[C@@]1([NH+](C)C)CCC[C@H](C)C1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(cc2c(=O)c(c[nH]c2c1)C(OCC)=O)O
### Response:
CCOC(=O)c1c[nH]c2ccc(O)cc2c1=O |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCc1ccccc1NC(=S)N1[C@@H]2CCC[C@H]1CC(NC(=O)C(C)(C)C)C2
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(oc(c1)CC)[C@H]1N(CC[C@@H](C1)C)C(c1nn(c(cc1)=O)C)=O
### Response:
CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2ccc(=O)n(C)n2)o1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Clc1ccc2n(CC)c(NS(c3cnn(C)c3)(=O)=O)nc2c1
### Response:
CCn1c(NS(=O)(=O)c2cnn(C)c2)nc2cc(Cl)ccc21 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH2+][C@H]1CCC(=O)NC1
Fragment 2: [4*]Cc1cc(Cl)cs1
### Response:
O=C1CC[C@H]([NH2+]Cc2cc(Cl)cs2)CN1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1nc(Cn2nnc3ccccc3c2=O)cs1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(C(=O)NC[C@@H]([C@@H]2CCOC2)N2CCOCC2)s1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
O=C(Nc1ccccc1OCC(F)(F)F)N1CCC[C@@H]1c1cccc(F)c1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(-c2csc(NC(=O)CCc3cnn(C)c3)n2)cc1F
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1c(F)c(F)c(F)c(F)c1F
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cccc(CNC(=O)c2cc3c(cc(cc3)OCC)oc2=[NH2+])c1
### Response:
CCOc1ccc2cc(C(=O)NCc3ccccc3)c(=[NH2+])oc2c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@H](NC(=O)C1=CCCCO1)c1ccc(F)c(Cl)c1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
C[C@H](N)c1cc[nH+]c(N2CCSC[C@H]2C)c1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
N#CC1(NC(=O)C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)CCCC1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C=CCNC(=O)[C@@H](C)[NH2+]CC1(c2ccc(Cl)cc2)CCOCC1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C[C@H](CCCO)NS(=O)(=O)c1cc(S(N)(=O)=O)ccc1
### Response:
C[C@H](CCCO)NS(=O)(=O)c1cccc(S(N)(=O)=O)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C[4*]
Fragment 2: [5*]N(C)S(=O)(=O)c1ccc2c(c1)nnn2[9*]
### Response:
CC(C)n1nnc2cc(S(=O)(=O)N(C)CC(=O)NCc3cccnc3)ccc21 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(c1ccc(OCC(F)F)nc1)N1CC[NH+](C2CCCCC2)CC1
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)Nc1ccc(F)cc1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [13*][C@H]1CC[C@@H](C)O1
Fragment 2: [1*]C(=O)CC[8*]
### Response:
C[C@@H]1CC[C@H](CCC(=O)Oc2ccc(C#N)cc2Cl)O1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)c1cc(-c2[nH]cnc2-c2ccccc2)cs1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(=O)/C([O-])=C1\C(C)=NC(=S)N[C@H]1c1ccccc1Cl
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(CC[C@@H]1CCCN(C(=O)c2cc(C3CC3)n[nH]2)C1)N1CCN(Cc2ccccc2)CC1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N([5*])C1CC1
Fragment 2: [4*]Cc1ccccc1
### Response:
O=C1CC2(CCCCC2)C(=O)N1CC(=O)N(Cc1ccccc1)C1CC1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](n3cccn3)C2)c1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(Cl)cc(Cl)c2)C1=O
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@](C)(C(=O)NCc3ccccc3)C2)cc1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
o1nc(-c2ccccc2)nc1CNC(C(CC)CC)=O
### Response:
CCC(CC)C(=O)NCc1nc(-c2ccccc2)no1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Cc1cc(n(n1)-c1sc2ccccc2n1)NC(c1ccccc1S(=O)(C)=O)=O
### Response:
Cc1cc(NC(=O)c2ccccc2S(C)(=O)=O)n(-c2nc3ccccc3s2)n1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(CCNc2cc(ncn2)-c2ccccc2)ccc(OC)c1OC
### Response:
COc1ccc(CCNc2cc(-c3ccccc3)ncn2)cc1OC |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)CC[NH+](C1CCCC1)[C@@H]1CCC[C@@H]1[NH3+]
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=[N+]([O-])c1cc(O[C@H](C)C(=O)Nc2cc(C)ccc2)c(cc1)OC
### Response:
COc1ccc([N+](=O)[O-])cc1O[C@H](C)C(=O)Nc1cccc(C)c1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1cc(Cl)ccn1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1c(C)ccc1C
Fragment 2: [1*]C(=O)c1ccc([16*])cc1
### Response:
CNC(=O)[C@@H](C)CN(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]C[C@@H]([4*])CC
Fragment 2: [3*]O[C@H](C[4*])CC
### Response:
CC[C@@H](CNC(=O)Nc1nnc(C(F)F)s1)Oc1ccccc1C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCC[C@H]1[13*]
Fragment 2: [16*]c1cccc(F)c1
### Response:
CC(=O)Nc1nc(C(=O)N2CCC[C@H]2c2cccc(F)c2)cs1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C[4*]
Fragment 2: [5*]NCC[8*]
### Response:
Cn1ncnc1CCNC(=O)CSc1cccc2cccc(Cl)c12 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[C@@H](CCC[C@H]1C)[NH2+]Cc1cc(ccc1)COC
### Response:
COCc1cccc(C[NH2+][C@@H]2CCC[C@@H](C)C2)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*]C1CC1
Fragment 2: [1*]C(=O)c1cc(Br)ccc1Cl
### Response:
O=C(NC[C@H]1CC[NH+](C2CC2)C1)c1cc(Br)ccc1Cl |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH+](Cc1ccsc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-]
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CC(=O)c1cc2c(cc1NC(=O)C[NH+]1CCN(Cc3nc4ccccc4s3)CC1)OCO2
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CN(C([C@@H](NC(Nc2cc(C(F)(F)F)c(cc2)C)=O)C)=O)CCO1
### Response:
Cc1ccc(NC(=O)N[C@@H](C)C(=O)N2CCOCC2)cc1C(F)(F)F |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ncc(cc1)CN1[C@@H](c2cccc(c2)OC)C(=C(C1=O)[O-])C(=O)/C=C/c1ccccc1
### Response:
COc1cccc([C@H]2C(C(=O)/C=C/c3ccccc3)=C([O-])C(=O)N2Cc2cccnc2)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1nnc2n1CCC2
Fragment 2: [1*]C(=O)N1CCOC(C)(C)C1
### Response:
CC1(C)CN(C(=O)Nc2cccc(-c3nnc4n3CCC4)c2)CCO1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
C[C@H]1CN(c2ccc3cc(C#N)ccc3n2)C[C@@H]1C
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C1NC(N(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)C1)=O
### Response:
COc1ccc(N2C[C@@H](C(=O)NN3CC(=O)NC3=O)CC2=O)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2ccc(C)cc2F)c1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccc(N2CCN(C(=O)c3cc(C4CC4)on3)CC2)c1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(C(=O)N2CCSC[C@@H]2S(C)(=O)=O)c(C)cc1Br
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cccc2ccccc12
Fragment 2: [1*]C(=O)C[8*]
### Response:
CC(C)[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)[O-] |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C([C@H](NCCC)c1ccccc1)[NH+]1CC(C)(C)CC1
### Response:
CCCN[C@@H](C[NH+]1CCC(C)(C)C1)c1ccccc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CCC(=O)C2[C@@H](c3cc(cc(c3)OC)OC)Nc3c(NC1=2)non3
### Response:
COc1cc(OC)cc([C@H]2Nc3nonc3NC3=C2C(=O)CCC3)c1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
Cc1noc(-c2ccc(C(=O)N3CCCCC[C@@H]3c3cccn3C)cc2)n1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a ether group?
O=C(NNC(=O)c1ccccc1Cl)c1ccc(COc2ccc(Cl)cc2)cc1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccc([C@@H](C)C(=O)N2CCN(c3[nH+]ncc4ccccc34)CC2)c1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H]1CC(=O)c2cnc3c(c2C1)c(=O)[nH]c(=O)n3CCCN1CCOCC1
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CN(Cc1cc2cc(F)ccc2[nH]1)C(=O)[C@H]1C=C(COc2ccc3c(c2)CCCC3)ON1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(cc(C2(CCOCC2)NC(=O)c2ccc3c(c2)cccn3)ccc1)F
### Response:
O=C(NC1(c2cccc(F)c2)CCOCC1)c1ccc2ncccc2c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCSCC[C@@H](C)N(C)C(=O)c1cc(=O)n(-c2ccc(C)cc2)[nH]1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1cccc(CN(C(c2c(OC)cccc2)=O)c2sc3c(c(cc(F)c3)F)n2)c1
### Response:
COc1ccccc1C(=O)N(Cc1cccnc1)c1nc2c(F)cc(F)cc2s1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(NCc1ccncc1)c1cc2cc([N+](=O)[O-])ccc2s1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1CCCCN1C(=O)CSc1ccccc1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(N2CCN(C(=O)CCc3ccccc3O)CC2)cc1F
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CCC(F)(F)F
Fragment 2: [16*]c1cccc(OC)c1
### Response:
COc1cccc([C@H](CO)NC(=O)NCCC(F)(F)F)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc(C)cc1NC(=O)C(=O)N[C@H]1CCN(C1)c1cc(Cl)ccc1
### Response:
Cc1cccc(NC(=O)C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]C[S@](C)=O
Fragment 2: [1*]C(=O)c1cccc([16*])c1
### Response:
C[S@](=O)Cc1cccc(C(=O)Nc2ccc(OC(F)F)c(F)c2)c1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1ccsc1[C@H](C)N[C@H]1CCN(c2cccc[nH+]2)C1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC(N1C(=O)C[C@H](C(=O)Nc2nnc(s2)COc2ccc(cc2)Cl)C1)(C)C
### Response:
CC(C)(C)N1C[C@@H](C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)CC1=O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](CCNC(=O)NC[C@@H]1CCC[C@H](O)C1)c1cccc(C(F)(F)F)c1
### Response:
4 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC1(C)CC[C@@H](CNC(=O)c2ccc3nncn3c2)c2ccccc21
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCC[NH2+][C@H](c1[nH]cc[nH+]1)[C@H]1CCOC2(CCSCC2)C1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O(CCNC(=O)NCC)CC(F)(F)F
### Response:
CCNC(=O)NCCOCC(F)(F)F |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(=O)NCc1ccc(C(=O)Oc2cccc(C(=O)NC3CC3)c2)cc1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(C)cc(O[C@@H](C(/C=C/N(C)C)=O)C)c1
### Response:
Cc1cccc(O[C@H](C)C(=O)/C=C/N(C)C)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1Oc2c(O1)ccc(c2)C(=O)N[C@H](C)C(N1CCC2([NH2+]CCC3=NC=N[C@H]32)CC1)=O
### Response:
C[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)N1CCC2(CC1)[NH2+]CCC1=NC=N[C@H]12 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@H](CNC(=O)c1ccc(N2CCCC2)nc1)Sc1ccccc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+]1CCC[C@H]([15*])CC1
Fragment 2: [16*]c1ccccc1
### Response:
Cc1cc(NC(=O)[C@H](C)[NH+]2CCC[C@H](c3ccccc3)CC2)on1 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1OC(F)(F)F
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc2nc(sc2cc1Cl)NC(=O)c1cc([N+](=O)[O-])c(cc1)C
### Response:
Cc1ccc(C(=O)Nc2nc3ccc(Cl)cc3s2)cc1[N+](=O)[O-] |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(C)c(NC(=O)CN2N=C(c3ccccc3F)c3cc(Cl)ccc3S2(=O)=O)c(C)c1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(N[C@H]1CC[NH+](C)[C@@H]1c1ccc(cc1)Cl)c1ccc(NC(=O)C)cc1
### Response:
CC(=O)Nc1ccc(C(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccc(Cl)cc2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
Nc1ncnc2c1nc(SCc1ccc3nsnc3c1)n2C[C@H](O)CO
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C[C@H]1[C@H](N(CCC1)C(c1c(nn(c1)C)C(C)(C)C)=O)C
### Response:
C[C@@H]1CCCN(C(=O)c2cn(C)nc2C(C)(C)C)[C@@H]1C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@H]([4*])CC
Fragment 2: [11*]Sc1nc(N)cc(N)n1
### Response:
CC[C@@H](Sc1nc(N)cc(N)n1)C(=O)N[C@H](C)c1ccccc1 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
CC[NH+](CC)[C@@H](C)CNC(=O)N(C)Cc1ccc(F)cc1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CC[C@H]([C@H](NC(=O)Cn2c(=O)n(c3ncn(c3c2=O)C)C)C1)C
### Response:
C[C@@H]1CCCC[C@H]1NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1n(nnc1)CCCC(OC[C@@H]1C(Cl)(Cl)C1)=O
### Response:
O=C(CCCn1ccnn1)OC[C@H]1CC1(Cl)Cl |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1c(NC(=O)c2cccc(NC(=O)[C@@H]3Cc4ccccc4O3)c2)c(=O)n(-c2ccccc2)n1C
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)[C@H](NC(=O)[C@H]1Cc2ccccc2CN1)C(=O)NC1CCCCC1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@@H]1C[C@H]1[15*]
Fragment 2: [1*]C(=O)c1c(C)oc(C)c1Br
### Response:
CCC[C@@H]1C[C@H]1NC(=O)c1c(C)oc(C)c1Br |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CN([C@H]1C[C@@H](C)CCC1)C(C(c1ccc(cc1)C)=O)=O
### Response:
Cc1ccc(C(=O)C(=O)N(C)[C@@H]2CCC[C@H](C)C2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CC1(C)CCC[C@H]1NS(=O)(=O)c1ccc(N)cc1Cl
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
COC1CC[NH+]([C@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)CC1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCOC(=O)[C@H]1Nc2ncccc2Cc2ccccc21
### Response:
2 |
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