task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O1c2cc(ccc2OC1)CC[C@@H]([NH2+][C@H]1C(N(CC1)c1cn(C)nc1)=O)C
### Response:
C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOc1ccc2nc(/N=N/NC#N)sc2c1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CCc1cc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)n2nc(C)c(C)c2n1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)N1CC[C@@H](C)[C@@H](O)C1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(Nc1ccccc1Br)C(=O)N[C@H]1C[C@H]1C1CCCCC1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCOCC[NH2+][C@H]1CCO[C@]2(CCSC2)C1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
o1c(Cn2cccc(c2=O)C)nc(-c2ccc(cc2)S(C)(=O)=O)n1
### Response:
Cc1cccn(Cc2nc(-c3ccc(S(C)(=O)=O)cc3)no2)c1=O |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
CCN1CCN(C(=O)[C@H]2CCCN(C(=O)c3csc(Nc4cccc(C)c4)n3)C2)CC1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]CN1C(=O)[C@]2(C(C(=O)OC)=C(N)Oc3[nH]nc(C)c32)c2ccccc21
Fragment 2: [16*]c1cccc(F)c1
### Response:
COC(=O)C1=C(N)Oc2[nH]nc(C)c2[C@@]12C(=O)N(Cc1cccc(F)c1)c1ccccc12 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccc(Cl)cn1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
COc1ccc(N2C(=O)CS[C@H]2c2ccc(Cl)cc2)cc1Cl
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C[C@@H](c1nc([C@H]2CSCCO2)no1)N1CC[NH2+]CC1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(/C=c2\s/c(=C(/C#N)c3nnc4n3CCCCC4)n(-c3ccccc3)c2=O)cc1OC
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
O=C1CCCC(Nc2cccc(C(F)(F)F)c2)=C1Cl
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC1(C)[C@@]2(C(=O)N(CCC#N)Cc3ccccc3)CC[C@]1(C)C(=O)O2
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1coc(C(=O)N(c2cccc(c2)C#C)CC(NC)=O)c1
### Response:
C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccco2)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1nc2c(s1)COCC2
Fragment 2: [1*]C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12
### Response:
O=C(Nc1nc2c(s1)COCC2)c1c[nH]c2ccc([N+](=O)[O-])cc12 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c2nn[nH]c2ccc1C(N[C@H]1Sc2ccccc2N1)=O
### Response:
O=C(N[C@@H]1Nc2ccccc2S1)c1ccc2[nH]nnc2c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c2c(OCO2)ccc1OCCNC(c1cc(on1)C1CC1)=O
### Response:
O=C(NCCOc1ccc2c(c1)OCO2)c1cc(C2CC2)on1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+]1CCC2(CCC(=O)N([10*])C2)CC1
Fragment 2: [4*]Cc1ccc(OC)c(C)c1C
### Response:
COc1ccc(C[NH+]2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)c(C)c1C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CC(CCC1CC)CNc1nc(ns1)COC
### Response:
CCC1CCC(CNc2nc(COC)ns2)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CCc1nn(cc1C(N1C[C@@H](C)O[C@H](C)C1)=O)C
### Response:
CCc1nn(C)cc1C(=O)N1C[C@@H](C)O[C@H](C)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c([C@H](C#N)NC(c2ccc(CSC)cc2)=O)c(C)ccc1
### Response:
CSCc1ccc(C(=O)N[C@@H](C#N)c2ccccc2C)cc1 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
Cn1cc([C@@H]2C[C@H]2C(=O)NNc2ccccc2C(F)(F)F)cn1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cn1cc(C#N)c(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)n1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nc2c(s1)[C@@H](NC[C@@H](O)c1cccc(OC(F)F)c1)CCC2
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CCn1nnnc1[14*]
Fragment 2: [4*]CCn1nnnc1S[11*]
### Response:
CC[NH2+]CCn1nnnc1S[C@H]1CCO[C@@]2(CCSC2)C1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=S1(=O)N[C@@H](C2CC[NH+](Cc3c[nH]c4ccccc34)CC2)Nc2ccccc21
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1cc2cnn([9*])c2nc1Cl
Fragment 2: [5*][NH+]1CCC([15*])CC1
### Response:
CC(C)COC1CC[NH+](Cc2cc3cnn(C(C)C)c3nc2Cl)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ncc(C(=O)N2CCC(c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)CC2)cn1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CSc2ccc(F)c(F)c2)CC1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nnc(C)n1/N=C/c1ccc(OCc2ccccc2)cc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C[C@H](CC#N)N(C)C(=O)CN1CCCOC1=O
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C#CCN/C(NC[C@](C)(O)c1cnn(C)c1)=[NH+]/CC
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
COc1ccc(C)cc1C[NH+]1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
CC(C)[C@@H](CO)NC(=O)c1cccc(C(F)(F)F)c1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
CC(C)[C@@H](CO)NC(=O)NC1CCN(C(=O)c2ccco2)CC1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccccc1F
Fragment 2: [16*]c1ccccc1F
### Response:
O=C(Nc1ccccc1F)N1CCN(CCOc2ccccc2)CC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COC(=O)COc1ccc(N[C@@H]2CS[C@H](C)C2)cc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
O=C(CSc1nnc(NC(=O)C2CCC2)s1)c1ccc(F)cc1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [6*]C(N)=O
Fragment 2: [5*][NH2+][C@@H]1CCC[C@H](C)C1
### Response:
C[C@H]1CCC[C@@H]([NH2+]Cc2cc(C(N)=O)ccc2F)C1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CN(C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1)[C@@H]1CCc2ccccc2C1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)c1ccccc1C
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCn1c(=O)n(CCC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c2ccccc21
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCNC(=O)N[C@@H]1CN(Cc2ccncc2Cl)C[C@@H]1OC
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
Cc1cccc(-c2cnc(Br)nc2)c1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(CCC1CCCC1)N1CCC(COc2ccccc2C(=O)N2CCCC2)CC1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=S(=O)(/N=C(\[O-])CCCOc1ccc(F)cc1F)c1ccc(F)cc1
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1cc(C)cn1
Fragment 2: [5*]NC[C@H]1CCC[C@@H]1O
### Response:
Cc1cnn(CCCNC(=O)NC[C@H]2CCC[C@@H]2O)c1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
O=C(Nc1ccnn1Cc1ccccn1)N[C@H]1C[C@H]1c1cccc(Cl)c1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1Cl
Fragment 2: [1*]C(=O)C[8*]
### Response:
O=C(Cc1ccccc1Cl)N1CCc2c(F)ccc(F)c2C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1ccco1
Fragment 2: [1*]C(=O)c1cc(C)n([9*])c1C
### Response:
Cc1cc(C(=O)N2CCn3c(C)nnc3C2)c(C)n1Cc1ccco1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
N#CCC[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1(c2ccc(NC(=O)c3c(ccc([N+]([O-])=O)c3)N3CCOCC3)cc2)CCN(CC1)C(=O)CC(C)C
### Response:
CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N(C)[C@H](C)[C@@H]([8*])C
Fragment 2: [16*]c1ccc(Cl)cc1
### Response:
C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)[C@@H]1CCC(=O)O1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1
### Response:
0 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc(C)c(-c2csc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)n2)c1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1cccc(C(=O)OCCCl)c1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a ether group?
O=C(c1ccc(Cl)cc1)N1CCC(Cn2cnc3ccccc32)CC1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@@H](C)[C@@H]1CN(Cc2cc(F)cc(Br)c2)CC[NH2+]1
### Response:
4 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCc1n[nH]c(=S)n1CCNC(=O)c1cc(C)nc2c1c(=O)[nH]n2C
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
o1c(ncc1-c1ccccc1)COC(c1oc(S(N)(=O)=O)cc1)=O
### Response:
NS(=O)(=O)c1ccc(C(=O)OCc2ncc(-c3ccccc3)o2)o1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCc1nn(C)c(OC)c1C[NH+]1CCC[C@@H](Cc2noc(C)n2)C1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CN1C[C@H](NC(=O)/C=C/c2cnc(C(C)(C)C)s2)CCC1=O
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Cc1c(cc(c(c1)I)C)NC(c1cc([N+]([O-])=O)c(cc1)OC)=O
### Response:
COc1ccc(C(=O)Nc2cc(C)c(I)cc2C)cc1[N+](=O)[O-] |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC[C@H](C)N1C(=O)C2(CCCC2)NC(=O)[C@]1(C)CC
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)CS(=O)(=O)c1ccc([16*])cc1
Fragment 2: [8*]C(C)(C)C
### Response:
CC(C)(C)c1ccc(S(=O)(=O)CC(=O)Nc2ccc(Br)cc2)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12S(=O)(=O)C(=CN(c3cc(ccc3)C(OCC)=O)c1cc(cc2)F)C(=O)c1ccc(OC)cc1
### Response:
CCOC(=O)c1cccc(N2C=C(C(=O)c3ccc(OC)cc3)S(=O)(=O)c3ccc(F)cc32)c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CS(=O)(=O)N[C@H]1c2cccc3cccc(c23)[C@H]1Nc1ccc(Br)cc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]C[S@@](=O)c1ccccc1
Fragment 2: [4*][C@H](CO)C(C)C
### Response:
CC(C)[C@@H](CO)NC(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN(C(=O)[C@@H]1COc2ccc(F)cc2C1)[C@H](C)CS(C)(=O)=O
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
Cc1ncccc1N[C@H]1CC[NH+](C2CC2)C1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccnc1[C@@H](NC(=O)NC[C@@H](C)CCO)C(C)C
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]C(C)(C)C
Fragment 2: [9*]n1nnnc1[14*]
### Response:
Cc1cccc(N2CC[NH+]([C@@H](CC(C)C)c3nnnn3C(C)(C)C)CC2)c1C |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CCSc1ccc([C@H](C)NC(=O)N[C@@H]2CCC[C@@]2(C)CO)cc1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(NCCSc1c[nH]c2ccccc12)c1cnn2c1OCCC2
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cccc(N[5*])c1
Fragment 2: [14*]c1nc2ccc(C)cc2s1
### Response:
CC(=O)Nc1cccc(Nc2nc3ccc(C)cc3s2)c1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC(=O)N[C@@H](C(=O)NCCc1nc(C(C)C)no1)C1CCCC1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[C@H]1S/C(=N\c2cccc(C(F)(F)F)c2)NC1=O
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
C[C@H]1CCC[C@H](C)N1C(=O)N1CCC[C@H]([NH+](C)C)C1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1nccc(OC)n1
Fragment 2: [5*]N1CCCC1
### Response:
COc1ccnc(N2CCC(C(=O)N3CCCC3)CC2)n1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CCOc1ccccc1NC(=O)c1cc2c([nH]c1=O)C[C@@H](c1ccccc1)CC2=O
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(-c2[nH]c(c(C#N)cc2)=O)cc(Cl)c1Cl
### Response:
N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)[nH]c1=O |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
CCCOc1cc(=O)c(C(=O)N2CCCC2)nn1-c1ccc(C)cc1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CC[C@@H](C[C@@H]1C)NS(=O)(c1c(c(ccc1)N)C)=O
### Response:
Cc1c(N)cccc1S(=O)(=O)N[C@H]1CCC[C@@H](C)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@H]1CCN([10*])C1=O
Fragment 2: [16*]c1ccccc1Cl
### Response:
O=C(Cc1cccc(F)c1F)N[C@H]1CCN(c2ccccc2Cl)C1=O |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(c1cccc2c1NCCC2)N1C[C@H](CO)C[C@H](C[NH+]2CCCC2)C1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)N[C@@H]1CCCc2ccc(F)cc21
Fragment 2: [5*]N1CCOC[C@@H]1C
### Response:
C[C@H]1COCCN1C(=O)N[C@@H]1CCCc2ccc(F)cc21 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*]C1CC1
Fragment 2: [5*]N[C@H]1CC(=O)N([10*])C1
### Response:
CC(C)C[C@@H](C(=O)N[C@H]1CC(=O)N(C2CC2)C1)N1CCCCC1=O |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]C[C@@]1([15*])CCC[C@H]1C
Fragment 2: [5*][NH2+]CC
### Response:
CC[NH2+]C[C@@]1(c2ccc(C)c(C)c2)CCC[C@H]1C |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CN(C)c1nc2ccc(NC(=O)c3cccc(OCC(N)=O)c3)cc2o1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1csc(-c2cccc(CN/C([O-])=N/S(=O)(=O)c3ccccc3)c2)n1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)Cc1nc(SCC(=O)NC[C@@H]2CCCO2)c2c(=O)n(C)c(=O)n(C)c2n1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(c1cc([N+](=O)[O-])c(C[NH+](Cc2cscc2)C)cc1)N
### Response:
C[NH+](Cc1ccsc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nnc(N(CCC(C)C)C(=O)Cc2ccon2)c2ccccc12
### Response:
4 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H](C(=O)NCc1ccco1)[NH+]1CCCC[C@@H]1C(=O)[O-]
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]c1cc(F)ccc1F
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
O=C(c1cccc(/N=C2/N[C@H]3CS(=O)(=O)C[C@H]3S2)c1)N1CC[NH+](C2CCCCC2)CC1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
C[C@@H](Sc1ncn[nH]1)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21
### Response:
No |
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