task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C([O-])[C@H]1CCC[NH+]1CCn1ccnc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(ccc1/C=N\NC(=O)c1cc(n[nH]1)C(C)(C)C)O
### Response:
CC(C)(C)c1cc(C(=O)N/N=C\c2ccc(O)cc2)[nH]n1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C([C@H]1CCOc2ccccc21)N1CCC[C@H](n2cncn2)C1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1nc([14*])cc1C
Fragment 2: [15*][C@H]1CCS(=O)(=O)C1
### Response:
Cc1cc(C(=O)[O-])nn1[C@H]1CCS(=O)(=O)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)CN([5*])[5*]
Fragment 2: [5*]N([5*])CC(F)(F)F
### Response:
Cc1ccc(-c2n[nH]cc2CN(CC(=O)N(C)C)CC(F)(F)F)cc1 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
O=C(N[C@@H](CO)c1ccco1)c1cc(Cl)ccc1OC1CCCC1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
CSc1ccc(C(=O)CN2C(=O)c3ccccc3C2=O)cc1NC(C)=O
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
O=C(Oc1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1)c1ccc(Cl)cc1Cl
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(COc1ccc(cc1Cl)Cl)(=O)Nc1oc(-c2ccc(cc2)C(F)(F)F)nn1
### Response:
O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1(C(c2ccc(C)cc2C1=O)=O)[C@@H](C)C(N(C)CCCC)=O
### Response:
CCCCN(C)C(=O)[C@H](C)N1C(=O)c2ccc(C)cc2C1=O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(S(=O)(=O)NC2CCN(C(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4)C3)CC2)cc1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1noc(CNCc2c[nH+]cn2C2CC2)n1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccc(N2C(=O)CS[C@]23C(=O)N(CC(=O)NCc2ccccc2Cl)c2ccccc23)c1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCOc1ccc([N-]S(=O)(=O)/C=C/c2ccccc2)cc1CO
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@H]1C[C@H]2CCCc3cccc1c32
Fragment 2: [1*]C(=O)COC
### Response:
COCC(=O)N[C@H]1C[C@H]2CCCc3cccc1c32 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Nc1nc(CC(=O)N2CCC[C@@H](c3[nH]ncc3-c3ccccc3)C2)cc(=O)[nH]1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
C=C(C)C[NH+]1CCN(c2cc(C)nc3c(-c4ccccc4Cl)c(C)nn23)CC1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(C(=O)NC(Nc2cc(ccc2OC)-c2oc(CO)cc2)=S)sc1
### Response:
COc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1cccs1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C1C(S(=O)(N1C[C@@H](CBr)C(C)(C)C)=O)(C)C
### Response:
CC(C)(C)[C@H](CBr)CN1C(=O)C(C)(C)S1(=O)=O |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]Oc1cccc(C#N)c1
Fragment 2: [1*]C(=O)[C@H](C)O[3*]
### Response:
C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCc2c([nH]c3ccccc23)C1 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
O=C(NCc1ccc(Br)cc1F)NC1CCOCC1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)N1CC=C(c2cc(C)cc(C)c2)CC1
Fragment 2: [1*]C(=O)N[5*]
### Response:
Cc1cc(C)cc(C2=CCN(C(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CCOC(=O)O[C@@H]1C=CC(=O)[C@@](C)(c2ccc(-c3ccccc3)cc2)O1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=S(Cc1c(cccc1)F)(NCc1nnn(c1)-c1ccccc1)=O
### Response:
O=S(=O)(Cc1ccccc1F)NCc1cn(-c2ccccc2)nn1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCC(=O)OCC1=C(c2ccc(Cl)cc2)CSC1=N
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCC(=O)Nc1cc(F)c(F)cc1Cl
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)NCCS(C)(=O)=O
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H](NC[C@@H](O)c1ccccc1)c1ccncc1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(CCCn1ccnn1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCCCCCC1
Fragment 2: [1*]C(=O)c1ccc2c(=O)[nH]c([S-])nc2c1
### Response:
O=C(c1ccc2c(=O)[nH]c([S-])nc2c1)N1CCCCCCC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1cc2nc(C)n(CCNC(=O)c3cccc4[nH]ccc34)c(=O)c2cc1OC
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]Oc1ccc(Cl)c(Cl)c1
Fragment 2: [1*]C(=O)[C@H](C)O[3*]
### Response:
C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NC[C@H]1CCC[C@@H]1O |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCOC(=O)[C@@]1(NC(=O)[C@H](C)n2cccn2)CCc2ccccc21
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
FC(Oc1ccccc1NCc1c(cccc1)N1CCOCC1)(F)F
### Response:
FC(F)(F)Oc1ccccc1NCc1ccccc1N1CCOCC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1Oc2c(cc(cc2CC/[NH+]=C(/N)NC2CCCCCC2)F)CO1
### Response:
N/C(NC1CCCCCC1)=[NH+]/CCc1cc(F)cc2c1OCOC2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(C#C[C@@H](O)c1ccccc1)[NH+]1CCCC1
### Response:
O[C@H](C#CC[NH+]1CCCC1)c1ccccc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH2+]C1CC1
Fragment 2: [13*][C@H]1CN(C)CCO1
### Response:
CN1CCO[C@@H](c2noc(CC[NH2+]C3CC3)n2)C1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@@H](C(=O)Nc1nccs1)c1ccc(Br)s1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(C)ccc(C)cc1S(N1CCN([C@@H](c2nc(nc(n2)N)Nc2ccccc2)C)CC1)(=O)=O
### Response:
Cc1ccc(C)c(S(=O)(=O)N2CCN([C@H](C)c3nc(N)nc(Nc4ccccc4)n3)CC2)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C1COc2ccc(NC(=O)C3(c4ccccc4)CCC3)cc2N1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nc(CCCN2C(=O)N(CC(N)=O)C(C)(C)C2=O)cs1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
C[C@@H]1CN(C(=O)c2cc(F)c(Cl)cc2Cl)C[C@@H](C)O1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(-c2csc(NC(=O)Nc3ccc(F)cc3)n2)cc1OC
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CC[NH+](C[C@@H](NC(c2nc(C3CC3)[nH]n2)=O)C)CC1
### Response:
C[C@@H](C[NH+]1CCCCC1)NC(=O)c1n[nH]c(C2CC2)n1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*]C1CC1
Fragment 2: [5*]NCC([8*])[8*]
### Response:
CC(=O)N[C@@H](C(=O)NCC(C1CC1)C1CC1)C(C)C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1N(CCN(C1)C(=O)C(N1CCCC1)=O)C(C[NH+]1C[C@H](C)C[C@H](C)C1)=O
### Response:
C[C@@H]1C[C@H](C)C[NH+](CC(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1(C(=O)Nc2cnn(c2)CC)CCN(CC1)C(=O)c1ccc(cc1)[N+]([O-])=O
### Response:
CCn1cc(NC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cn1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(NC(=O)CNC(=O)c1cccc(c1)Br)C1(CCCC1)c1ccccc1
### Response:
O=C(CNC(=O)c1cccc(Br)c1)NCC1(c2ccccc2)CCCC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(C(=O)N1CCC[C@@H](NC(=O)C)C1)Sc1ncc(cc1)C
### Response:
CC(=O)N[C@@H]1CCCN(C(=O)CSc2ccc(C)cn2)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(COC(=O)N[C@@H]1CS(=O)(CC1)=O)[NH+](CC)CC
### Response:
CC[NH+](CC)CCOC(=O)N[C@H]1CCS(=O)(=O)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cccc(OC)c1
Fragment 2: [1*]C(=O)[C@@H](N[5*])C(C)C
### Response:
COc1cccc(NC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@H]([8*])CC
Fragment 2: [4*][C@H]([8*])CC
### Response:
CC[C@H]1CCC[C@H](NC(=O)N[C@@H](CC)c2cccc(S(N)(=O)=O)c2)C1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CCOc1ccc([C@@H]2CCCN2C(=O)CCCn2c(=O)oc3ccccc32)cc1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1(c2c(C[NH+]3[C@H](CC)C(=O)NCC3)cccc2CC1)C(=O)OC(C)(C)C
### Response:
CC[C@@H]1C(=O)NCC[NH+]1Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN[C@H](Cc1ccc(C(F)(F)F)cc1)C(C)(C)[NH+](C)C
### Response:
4 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(F)c(F)c(cc1C(=O)N1CCC(=O)N(CC(C)C)CC1)F
### Response:
CC(C)CN1CCN(C(=O)c2cc(F)c(F)c(F)c2)CCC1=O |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)(C)c1ncc([N-]S(=O)(=O)c2cccc(C(=O)N3CCCC3)c2)cn1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(OCCc2cc([C@H]3CCN(C(=O)c4cccnc4)C3)n[nH]2)cc1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C/[NH+]=C(/NCCOC)N1CCN(c2ccc(F)cc2)CC1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[O-][N+](c1ccccc1Sc1nccc(c1)C#N)=O
### Response:
N#Cc1ccnc(Sc2ccccc2[N+](=O)[O-])c1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
Cc1ccc(CN2CCOC3(CCC3)C2)c(C)c1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a amine group?
CC(C)N(CC(C)(C)O)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a amide group?
O=C(COc1nncc2ccccc12)NCc1ccc(Cl)cc1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCOc1cc2c(cc1Cn1c(=O)oc3cccnc31)O[C@@H](C)C2
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
O=c1c2cnn(-c3ccc(Cl)cc3)c2ncn1Cc1cccc2ccccc12
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(CCC(=O)N1CCOCC1)O[C@@H](C1CCCCC1)C(F)(F)F
### Response:
0 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(ccc1)CN(CCC(=O)N)C(=O)Cc1c2c(ccc1)cccc2
### Response:
NC(=O)CCN(Cc1ccccc1)C(=O)Cc1cccc2ccccc12 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cccnc1
Fragment 2: [14*]c1ccc(C#N)c(=O)[nH]1
### Response:
N#Cc1ccc(-c2cccnc2)[nH]c1=O |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC[C@@H](NC(=O)c1ccc(C)c(F)c1)c1nc(C(F)(F)F)cs1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Clc1c(cccc1)CSc1ccccc1NC(CSc1n(N)c(C)nn1)=O
### Response:
Cc1nnc(SCC(=O)Nc2ccccc2SCc2ccccc2Cl)n1N |
functional_group | ### Instruction:
Does the molecule contain a amine group?
CC[C@@H](C)NC(=O)c1ccc2c(=O)n(C(C)C)c3nn(Cc4c(F)cccc4Cl)c(=O)n3c2c1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC[C@](C)(C(=O)NC1CCCCC1)N(C)C(=O)CNC(=O)c1ccccc1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(-n2c(-c3ccco3)nc3c(cnn3-c3ccccc3Cl)c2=O)cc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cc(F)cc(F)c1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N(C)[C@H]([8*])CC
Fragment 2: [4*][C@@H](C)c1ccc(Cl)s1
### Response:
CC[C@@H](c1ccncc1)N(C)C(=O)N[C@@H](C)c1ccc(Cl)s1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCC([15*])CC1
Fragment 2: [1*]C(=O)N1CCC([15*])CC1
### Response:
CC[C@@H](CNC(=O)N1CCC(N(CC)S(C)(=O)=O)CC1)c1ccccc1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
CCc1ccc(CC)c(NC(=O)N[C@](C)(CC)CO)c1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
NC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccnc(OC2CCC2)c1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
[NH3+]Cc1ccc(C(=O)N2CCC(C(F)(F)F)CC2)o1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
COC(=O)C[C@@H]1CN(C2CCCCCCC2)CCO1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a amine group?
Cc1c(Cl)cccc1-n1ccnc(NCCc2ccccc2)c1=O
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C[4*]
Fragment 2: [5*]Nc1ccc([N+](=O)[O-])cc1
### Response:
CCOc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)c(C#N)cc2c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CCC
Fragment 2: [14*]c1nccn1C
### Response:
CCCN(C)c1ccc(C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccn(-c2ccc(N3CCN(C(=O)CC(C)C)CC3)nn2)n1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C[C@]1(O)Cc2[nH]nc(O)c2[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]1C(=O)OCc1ccccc1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
O=C(C1=C([O-])C(=O)N(CC[NH+]2CCCC2)[C@H]1c1cccnc1)C1CC1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CN(C)[C@@H](C(=O)N(CCO)Cc1cccnc1)c1c(F)cccc1F
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@H]([8*])CN[5*]
Fragment 2: [1*]C(=O)C([1*])=O
### Response:
Cn1cccc1[C@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1)[NH+]1CCOCC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)Cc3ccccc3N3CCCCC3)C2)cc1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(OCc1cc(=O)n2nc(C3CCCCC3)sc2n1)c1ccccc1Br
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*][C@@H](O)C1(C[NH3+])CCC(C)(C)CC1
Fragment 2: [15*]C1(C[NH3+])CCC(C)(C)CC1
### Response:
CC1(C)CCC(C[NH3+])([C@H](O)c2cccc(F)c2F)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc(N)c(O[C@H](C(c2c(cc(cc2)C)C)=O)CC)c1
### Response:
CC[C@H](Oc1ccccc1N)C(=O)c1ccc(C)cc1C |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
C[C@@H]1[NH2+]CC[C@H]1CN1CC[C@H]([NH+]2CCCC2)C1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]CC(=O)[O-]
Fragment 2: [4*][C@@H](C)CCC
### Response:
CCC[C@H](C)N(C)S(=O)(=O)c1ccc(CC(=O)[O-])s1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@@H](C)c1nnc([14*])o1
Fragment 2: [11*]Sc1ccc(Cl)cc1
### Response:
C[C@H](Sc1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@H]1CCCN1[5*]
Fragment 2: [4*]Cc1ccccc1
### Response:
CS(=O)(=O)N1CCC[C@@H]1C(=O)OC[C@@H]1CC[NH+](Cc2ccccc2)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=S(=O)(Cc1ccccc1)/N=C(\[O-])c1ccc(-n2ccnn2)cc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCOCC1
Fragment 2: [5*]NCc1ccc([14*])[nH+]c1
### Response:
Cc1noc2nc(-c3ccccc3F)cc(C(=O)NCc3ccc(N4CCOCC4)[nH+]c3)c12 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
C[C@H]1CCc2sc(C(=O)NNC(=O)c3ccc(S(C)(=O)=O)cc3)cc2C1
### Response:
Yes |
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