task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
functional_group | ### Instruction:
Does the molecule contain a ketone group?
O=C(COc1ccc(Cl)c2cccnc12)NCCc1nnc2n1CCCCC2
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
CCOCCOC(=O)Nc1c(C)cccc1CC
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a amine group?
Cc1ccc(N2C(N)=[NH+]C[C@]23C[C@@H](C)CC(C)(C)C3)cc1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH2+]C[C@H]1CCCCN1S(=O)(=O)N(C)CCS(C)(=O)=O
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC(=O)c1ccc(-n2cncn2)cc1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1n[nH]c([C@@H]2CN(C(=O)c3ccc4c(c3)nnn4C)CCO2)n1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]C(C)C
Fragment 2: [3*]OC(C)C
### Response:
COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1cccc(OC)c1OC(C)C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=S(=O)(NC(C)(C)c1ccc(cc1)[N+]([O-])=O)c1cc(F)cc(c1)F
### Response:
CC(C)(NS(=O)(=O)c1cc(F)cc(F)c1)c1ccc([N+](=O)[O-])cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(N1CCN(CC(Nc2noc(C)c2)=O)CC1)C1(O)CCCC1
### Response:
Cc1cc(NC(=O)CN2CCN(C(=O)C3(O)CCCC3)CC2)no1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(NC(=O)N2CCN(c3ccc(F)cn3)CC2)s1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1ccc(NC(=O)[C@@H]2CCCCC[C@H]2[NH3+])c(C)c1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1cncn1
Fragment 2: [1*]C(=O)C[NH+]([5*])C
### Response:
COc1ccc(NC(=O)C[NH+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1Cl |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O(CC(F)(F)F)CCN1C([C@@](NC1=O)(c1ccc([N+]([O-])=O)cc1)C)=O
### Response:
C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCOCC(F)(F)F)C1=O |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
Nc1nnc(SCC(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)s1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cc(CNC(=O)c2cnc3c(cnn3C(C)C)c2)ccn1
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1ccc(Br)cc1)n2Cc1ccccc1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*]C1CC1
Fragment 2: [1*]C(=O)c1cc(C)ccc1F
### Response:
CCN(Cc1noc(C2CC2)n1)C(=O)c1cc(C)ccc1F |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*]C1CC1
Fragment 2: [13*][C@H]1[C@H]([NH3+])CCCCN1CC
### Response:
CCN1CCCC[C@@H]([NH3+])[C@@H]1c1cccc(C2CC2)c1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
CC[NH2+][C@@H](c1ccc(Br)c2ccccc12)[C@H]1CCOC1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1C[C@@H](N(CC1)C(c1cnccc1)=O)c1nc(C)c(cn1)C(=O)N1CCOCC1
### Response:
Cc1nc([C@H]2CCCCN2C(=O)c2cccnc2)ncc1C(=O)N1CCOCC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cn2c3c(sc2=O)CCCC3)C1
### Response:
5 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*][C@@H](C)S(=O)(=O)c1ccc2c(c1)OCCCO2
Fragment 2: [16*]c1ccccc1
### Response:
C[C@H](c1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCCO2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(=O)(NCc1ccccc1OCC1CC1)N[C@H]1C[C@@H]2O[C@H]1CC2
### Response:
O=C(NCc1ccccc1OCC1CC1)N[C@H]1C[C@H]2CC[C@@H]1O2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccccc1
Fragment 2: [3*]Oc1cccc([16*])c1
### Response:
O=C(c1ccccc1F)N1CCS[C@@H]1c1cccc(OCc2ccccc2)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](NC(=O)C[C@H](O)c1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC1(C)Cc2occc2[C@@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)C1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(C)=O
Fragment 2: [1*]C(=O)c1ccc(N[5*])cc1
### Response:
CC(=O)Nc1ccc(C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=[N+]([O-])c1ccc(/C=C(\Cl)C=C2SC(=S)N=C2[O-])cc1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH+]1[C@H]2CC[C@@H]1CN(Cn1c(=S)n(C(F)F)c3ccccc31)CC2
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*]C1CC1
Fragment 2: [8*]C(C)(C)C
### Response:
C[C@H]1CN(C(=O)c2cc(C3CC3)nn2C(C)(C)C)CC(C)(C)O1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C[C@H](CNC(=O)N(C)Cc1ccc(C(F)(F)F)cc1)c1ccsc1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cncc(C2=N[C@H]([C@H]3CC(=O)N(Cc4cnccc4)C3)N=C2)c1
### Response:
O=C1C[C@H]([C@@H]2N=CC(c3cccnc3)=N2)CN1Cc1cccnc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN(C(=O)c1c(F)ccc(N)c1F)c1ccc(F)cc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(CN2CCN(CC2)C(=O)Nc2c(C[NH+](C)C3CCCCC3)cccc2)ccncc1
### Response:
C[NH+](Cc1ccccc1NC(=O)N1CCN(Cc2ccncc2)CC1)C1CCCCC1 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
NC(=O)C1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)CCCC
Fragment 2: [1*]C(=O)C1CCCCC1
### Response:
CCCCC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
COc1cccc([C@@H](CNC(=O)C2=NN(c3ccccc3)C(=O)CC2)[NH+]2CCCC2)c1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1ccccc1-c1nn2c(=O)cc(N3CCN(C(=O)Nc4ccccc4F)CC3)nc2s1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@]1(CCC)(CN(C(CNCC#C)=O)CC1)C(=O)[O-]
### Response:
C#CCNCC(=O)N1CC[C@](CCC)(C(=O)[O-])C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1nc(n(c1COc1c(cccc1)Cl)C)SCC(c1c(cc(cc1)O)O)=O
### Response:
Cn1c(COc2ccccc2Cl)nnc1SCC(=O)c1ccc(O)cc1O |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CN(C(=O)c1ccc(Cl)cc1Cl)c1cccc2ncccc12
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1c(C(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)cnn1-c1ccncc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(-n2ccnc2)ccc(/C=C/C(Nc2ccc(C)c(NC(=O)C)c2)=O)c1
### Response:
CC(=O)Nc1cc(NC(=O)/C=C/c2ccc(-n3ccnc3)cc2)ccc1C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [7*]Cc1ccc([14*])o1
Fragment 2: [7*]C1C(=O)N([10*])C(=O)C(C#N)=C1C
### Response:
C=CCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)OC(C)C)c3)o2)C1=O |
functional_group | ### Instruction:
Does the molecule contain a halide group?
[NH3+][C@]1(C(=O)[O-])CCC[C@@H]1CCn1cc(I)cn1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(N(C(C)C)C(=O)[C@@H]1[C@@H](C)C1)C(Nc1ccccc1C(F)(F)F)=O
### Response:
CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)[C@H]1C[C@@H]1C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc(CC(Nc2ccncc2)=O)c(c1)OC
### Response:
COc1ccccc1CC(=O)Nc1ccncc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(=O)c1nn(CC(C)(C)O)c2c1CCCC2
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@H]([8*])c1cccc(F)c1
Fragment 2: [4*][C@@H]([8*])c1ccccc1
### Response:
COc1ccc(C[NH2+][C@H](c2ccccc2)c2cccc(F)c2)cc1OC |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(N)(=O)=O)C[C@@H](C)O1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CCOC(=O)[C@@H]1CCCC[C@H]1N1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(C)nnc(NC(=O)Cn2ccc3c2cc(cc3)Br)s1
### Response:
Cc1nnc(NC(=O)Cn2ccc3ccc(Br)cc32)s1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(=O)c1cccc(OCc2c(C#N)cccc2)c1
### Response:
N#Cc1ccccc1COc1cccc(C=O)c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(COc1ncnc2ccc(Br)cc12)Nc1ccccc1Cl
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(NCC)nc(-c2n(CCC)ccn2)cc(C)n1
### Response:
CCCn1ccnc1-c1cc(C)nc(NCC)n1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2CCCc3ccccc32)cc1
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C[C@@H]1C(=O)NCC(=O)N1C[C@@H]1CN(C)CCO1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cnc2nc(C[C@H](O)C(F)(F)F)[nH]c2c1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCC1(O)CCCCC1
Fragment 2: [1*]C(=O)[C@@H]([8*])C
### Response:
Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NCC1(O)CCCCC1)C2=O |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cc(OC)c(OC)cc1C
Fragment 2: [1*]C(=O)c1cc(C)no1
### Response:
COc1cc(C)c(NC(=O)c2cc(C)no2)cc1OC |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]C(C)(C)C
Fragment 2: [4*][C@@H]([8*])C1CC1
### Response:
Cc1csc([C@H](NC(=O)N[C@H](C)c2nc(C(C)(C)C)no2)C2CC2)n1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Fc1cc(C[NH2+]CCCn2cc[nH+]c2)cc(F)c1F
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C1NCCc2ccc(S(=O)(=O)N3CCC[C@@H](c4ncc[nH]4)C3)cc21
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C[4*]
Fragment 2: [5*]Nc1cccc(N[5*])c1
### Response:
C[C@H]1CCC[NH+](CC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)C1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCC1C[NH+]([C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])C1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(C[NH+]1CCCC[C@@H]1CN1CCOCC1)NCCC1=CCCCC1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C[C@H]1CCC[C@H](C1)CNC(C(=O)Nc1c(=O)n(ccc1C)C)=O
### Response:
Cc1ccn(C)c(=O)c1NC(=O)C(=O)NC[C@@H]1CCC[C@H](C)C1 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
Cc1[nH]nc(C(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1[N+](=O)[O-]
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
Cc1cc(OC(=O)[C@@H](C)Sc2nncn2C)cc(C(C)C)c1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccncc1
Fragment 2: [12*]S(=O)(=O)c1ccc(F)cc1
### Response:
O=S(=O)(Nc1ccncc1)c1ccc(F)cc1 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
CCOc1cc(C)ccc1NC(=O)C(=O)NCc1cccc(Cl)c1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@H]1(CC(=O)N(C)C21CCN(c1cccc(C(=O)N(C)C)n1)CC2)C(=O)[O-]
### Response:
CN(C)C(=O)c1cccc(N2CCC3(CC2)[C@H](C(=O)[O-])CC(=O)N3C)n1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*][C@@H]1CCO[C@]2(CCOC2)C1
Fragment 2: [16*]c1cccc(F)c1
### Response:
C[C@@](O)(c1cccc(F)c1)[C@@H]1CCO[C@]2(CCOC2)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN(C[C@@H]1CCOC1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
C[C@@H](CNC(=O)N(C)CCOc1ccc(F)cc1)c1ccsc1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(COc1ccc(Br)cc1)NC(=S)Nc1ccc(Cl)cc1C(=O)[O-]
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cccc(F)c1[16*]
Fragment 2: [6*]C(=O)OC
### Response:
COC(=O)c1c(F)cccc1NC(=O)[C@@H]1Cc2cc(C)c(C)cc2O1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cn1ncc2c1CCc1sc(NC(=O)C3CC3)nc1-2
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1c2c(sc1N1CCC(C(=O)NC(C)C)CC1)c(=O)n(cn2)CC(=O)N[C@@H]1CCc2c1cccc2
### Response:
CC(C)NC(=O)C1CCN(c2nc3ncn(CC(=O)N[C@@H]4CCc5ccccc54)c(=O)c3s2)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc(N[5*])cc1
Fragment 2: [8*]CC1CC1
### Response:
C[C@H](Nc1ccc(NC(=O)[C@H]2CC(=O)N(CC3CC3)C2)cc1)c1ccccc1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
Cc1ccc([C@@H]2CCCC[C@@H](C)C2=O)s1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CSc1ccccc1NC(=O)[C@@H](C)Oc1cccc(C=O)c1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(-c2nnn(CC(=O)N[C@H]3CCCn4c(C)nnc43)n2)cc1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H](OC(=O)c1cccnc1SC(F)F)C(=O)NC1CC1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
COCc1ccc(C(=O)N2C[C@H](c3ccc(OC)cc3)C[C@H]2C)cc1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cnn(C(C)(C)C)c1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NC[C@H]1CCCO1
Fragment 2: [12*]S(C)(=O)=O
### Response:
CS(=O)(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CN(Cc1ccsc1)C(=O)c1cccnc1Cl
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cccc(F)c1
Fragment 2: [16*]c1ccccc1OC
### Response:
COc1ccccc1CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(F)c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1noc(C)c1COc1ccc(C(=O)N2CC[NH+](Cc3nc(-c4ccsc4)no3)CC2)cc1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[C@@H](C(=O)OCC)CCC[NH+]1Cc1c(cccc1)C#N
### Response:
CCOC(=O)[C@H]1CCC[NH+](Cc2ccccc2C#N)C1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C=CCN1CCN(C(=O)[C@@H](C)Oc2ccccc2C(C)C)CC1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N([5*])CC[8*]
Fragment 2: [5*]N([5*])CC1CC[NH+](C)CC1
### Response:
COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)c2scnc2C)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1cccs1
Fragment 2: [11*]Sc1nnc([14*])o1
### Response:
Fc1ccc(Oc2ccnc(Sc3nnc(-c4cccs4)o3)n2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
CCOCCCNc1nnnn1-c1ccccc1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccccc1[16*]
Fragment 2: [4*]CC=C
### Response:
C=CCOc1ccccc1C[NH+]1CCC[C@@H]1CN1CCOCC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
[NH3+][C@@H](Cc1csc([C@@H]2CSCCS2)n1)c1ccccc1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H]1CN(CCCCNC(=O)c2ccccc2-c2cncnc2)C[C@H](C)O1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(ccc(c1)N1CCOCC1)NC(=O)c1cc(-c2ccccn2)nc2ccccc12
### Response:
O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(-c2ccccn2)nc2ccccc12 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1nc(COC(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)sc1C
### Response:
Yes |
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