task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CN(CCN1C(c1cnn(c1)C)=O)[C@H]1CCS(=O)(=O)C1
### Response:
Cn1cc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cn1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]C[C@@H]1CCCO1
Fragment 2: [16*]c1cc(F)ccc1O
### Response:
C[C@@H]([NH2+]C[C@@H]1CCCO1)c1cc(F)ccc1O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](NC(=O)c1cncc(Br)c1)c1ccco1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1cc(NCc2ccc3ccccc3c2)ccc1NC(C)=O
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]C[C@H]([8*])O
Fragment 2: [16*]c1ccc(OC)c(F)c1
### Response:
COc1ccc([C@H](O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1F |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CCc1ccccc1NC(=O)C(=O)NCCc1c[nH]c2ccc(Cl)cc12
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCCC(=O)Nc1ccc2nc(C)n(-c3ccc(Cl)cc3)c(=O)c2c1
### Response:
5 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CN1CCN(S(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2F)CC1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1CCCC[C@@]1(O)c1ccc(Cl)cc1F
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
[NH3+]C[C@H]1CCC[C@H]1S(=O)(=O)c1cccc(F)c1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a ether group?
O=C(CC1(O)CCCCC1)Nc1ccccc1OCc1cscn1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1nnc([14*])s1
Fragment 2: [5*]NCc1nnc([14*])s1
### Response:
C[C@@H](NCc1nnc(-c2ccccc2)s1)c1nc2c(s1)CCCC2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](Sc1ncnc2ccsc12)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Cn1n(-c2ccccc2)c(=O)c(NC(=O)CC/C=C/c2ccccc2)c1C
### Response:
Cc1c(NC(=O)CC/C=C/c2ccccc2)c(=O)n(-c2ccccc2)n1C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1(N(C)CCN(c2ncc(s2)C[NH2+]C(C)(C)C)C1(C)C)=O
### Response:
CN1CCN(c2ncc(C[NH2+]C(C)(C)C)s2)C(C)(C)C1=O |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1sc2c(c1[16*])CCCC2
Fragment 2: [1*]C(=O)C([7*])C#N
### Response:
N#C/C(=C\c1ccccc1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cc(NC(=O)c2cn(C)nc2C(C)(C)C)cnc1Cl
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]C[C@H](O)C(F)(F)F
Fragment 2: [5*]N(C)c1ncccc1[N+](=O)[O-]
### Response:
CN(C[C@H](O)C(F)(F)F)c1ncccc1[N+](=O)[O-] |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
[NH3+][C@H]1CCCCC[C@@H]1C(=O)OCC1CCCCC1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(N[C@H]1CCOc2ccc(Br)cc21)C1(c2ccc(F)cc2)CC1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(c1cc[n+]([O-])cc1)N1CCc2ccc(NC(=O)C3(c4ccccc4)CC3)cc2C1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN(CC1CC1)C(=O)Nc1ccc(N2CCCC2=O)cc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
c1cc2c(cc1[C@H]1CCC[NH+]1Cc1cnn3c1NCCC3)OCO2
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c2c(cc(Br)c1[C@@H](Cl)[C@]1(C)CCCO1)[nH]c(=O)[nH]2
### Response:
C[C@@]1([C@H](Cl)c2cc3[nH]c(=O)[nH]c3cc2Br)CCCO1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CN(C[C@H](O)C1CC1)C(=O)CC1CCC(c2ccccc2)CC1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1(C(=O)CN(CC(N)=O)C(=O)C1)CC
### Response:
CCN1CC(=O)N(CC(N)=O)CC1=O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH+](CCC1CC[NH2+]CC1)[C@H]1CCOC2(CCC2)C1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(Nc1ccc(OCc2cccc(F)c2)c(F)c1)[C@@H]1COCCO1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nc(NC2CCN(C(=O)N3CCOCC3)CC2)c2sccc2n1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C1N([C@H](C(C)C)C(OCC(c2ccc(cc2)C)=O)=O)C(=O)[C@@H]2[C@@H]1[C@H]1C[C@@H]2C=C1
### Response:
Cc1ccc(C(=O)COC(=O)[C@@H](C(C)C)N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3C2)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC/[NH+]=C(/NCC#Cc1ccccc1)NC[C@@H](C)C#N
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)NC[C@H]1CCCO1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(S(=O)([C@@H]2CCC[C@@H]2C[NH3+])=O)cc(F)ccc1
### Response:
[NH3+]C[C@H]1CCC[C@H]1S(=O)(=O)c1cccc(F)c1 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
COC(=O)CNC(=O)N1CC[C@@](O)(c2ccccc2)[C@@H]2CCCC[C@H]21
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21
Fragment 2: [5*]NCC(=O)OC
### Response:
COC(=O)CNC(=O)CN1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1ncc[nH]1
Fragment 2: [5*]Nc1ccccc1[16*]
### Response:
Cc1nn(C)c(Cl)c1/C=C/C(=O)Nc1ccccc1-c1ncc[nH]1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NS(=O)(=O)c1ccc([16*])c(C)c1
Fragment 2: [5*]NC1CCCCC1
### Response:
Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)NC1CCCCC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccccc1NC(=O)c1nnc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)c(Cl)c3)C2)s1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1n[nH]c(C)c1CNC(=O)c1ccnc(OC(C)(C)C)c1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc(Br)c1O
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
COCc1cc(Cl)nc(NCc2cccc(C(F)(F)F)c2)n1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cc([16*])c(N)c(C)c1
Fragment 2: [3*]OC1C[C@@H](C)C[C@@H](C)C1
### Response:
Cc1cc(OC2C[C@@H](C)C[C@@H](C)C2)cc(C(=O)[O-])c1N |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*][C@H](C)[NH3+]
Fragment 2: [15*][C@H]1CCCC(C)(C)CC1
### Response:
C[C@H]([NH3+])[C@H]1CCCC(C)(C)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cccc(Cl)c1
Fragment 2: [4*]CC(C)C
### Response:
CC(C)C[NH+]1[C@@H]2CCC[C@H]1CC(NC(=S)Nc1cccc(Cl)c1)C2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@@H](C)C[8*]
Fragment 2: [1*]C(=O)[C@H]1CCO[C@@H]1C
### Response:
C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)[C@H]1CCO[C@@H]1C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(C(=O)/C=C\c2ccc(cc2)NC(C)=O)ccc(Cl)c1
### Response:
CC(=O)Nc1ccc(/C=C\C(=O)c2ccc(Cl)cc2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1cc(C)cn1
Fragment 2: [5*]N(C)C
### Response:
Cc1cnn(CCC(=O)NNC(=O)c2cccc(N(C)C)c2)c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(CN1CCN(Cc2ccc(F)c(F)c2)CC1)c1cccs1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)[NH2+][C@@](C)(CN1C[C@H]2CCC[NH+]2C[C@H]1C)C(N)=O
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NC[C@@H]([8*])C
Fragment 2: [5*]N1CCC([15*])CC1
### Response:
CC(=O)N1CCC(Oc2ccc(Cl)cc2C(=O)NC[C@H](C)c2ccccc2)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(ccc(C(N2CCCC2)=O)cc1)CSc1n(cnn1)-c1c(cc(cc1)C)C
### Response:
Cc1ccc(-n2cnnc2SCc2ccc(C(=O)N3CCCC3)cc2)c(C)c1 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
CC(=O)Nc1c(C)cc(NC(=O)c2cc3c(s2)CCCCCC3)cc1C
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CO[C@H]1CC(C)(C)Oc2ccc3oc(C(=O)N4CCc5ccccc5C4)c(C)c3c21
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*][C@@H]1CCC(C)(C)[C@@H]1[NH3+]
Fragment 2: [5*][NH+]1CCCCCCC1
### Response:
CC1(C)CC[C@@H]([NH+]2CCCCCCC2)[C@H]1[NH3+] |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)c1ccc(N2Cc3ccc(NC(=O)NC[C@H](C)CO)cc3C2)cc1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(c(S(=O)(=O)C)cc1)NC(=O)NCCc1c(cccc1F)F
### Response:
CS(=O)(=O)c1ccccc1NC(=O)NCCc1c(F)cccc1F |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(ccc(C)c1)-c1c(C[NH2+]CCOC)nco1
### Response:
COCC[NH2+]Cc1ncoc1-c1ccc(C)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
o1c(nnc1-c1cc(ccc1)F)CN1CCC[C@H](C1)C[NH+]1CCCC[C@@H]1C
### Response:
C[C@H]1CCCC[NH+]1C[C@@H]1CCCN(Cc2nnc(-c3cccc(F)c3)o2)C1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
C=CCNC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [6*]C(=O)NNC(=O)C[8*]
Fragment 2: [14*]c1sc(C)cc1OC
### Response:
COc1cc(C)sc1C(=O)NNC(=O)Cc1cccc2ccccc12 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nn2c(C)c(C(=O)N3CCN(Cc4ccccc4)CC3)nnc2c1-c1cccc(Cl)c1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [10*]N1CCCC1=O
Fragment 2: [5*]NS(=O)(=O)c1ccc([16*])cc1
### Response:
O=C1CCCN1c1ccc(S(=O)(=O)NCC[C@H]2CCCO2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C([1*])=O
Fragment 2: [5*]N[C@H](CC)CO
### Response:
CC[C@H](CO)NC(=O)C(=O)Nc1cccc(C#N)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[C@@H]([NH+]2CCc3c(C2)cccc3N)C[C@H](S(C)(=O)=O)CC1
### Response:
CS(=O)(=O)[C@@H]1CCC[C@@H]([NH+]2CCc3c(N)cccc3C2)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)N1CCOCC1
Fragment 2: [4*][C@@H](C)CCCC=C
### Response:
C=CCCC[C@H](C)[NH+]1CCN(C(=O)N2CCOCC2)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CN(CC)CCN1C(=O)c1nc(ccc1Cl)-n1nc(cc1C)C
### Response:
CCN1CCN(C(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
Cc1[nH]c2cccc(C(=O)N3CCC[C@H](c4ccc(C(=O)NCC5CC5)cn4)C3)c2c1C
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)cc1
### Response:
4 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
CN1C(=O)N[C@@H](c2ccccc2Cl)C2=C1CN(CC(=O)NCc1ccccc1)C2=O
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [6*]C(=O)N/N=C1\C[C@]2([15*])CC[C@@]1(C)C2(C)C
Fragment 2: [16*]c1ccc(Cl)cc1
### Response:
CC1(C)[C@@]2(C(=O)[O-])CC[C@]1(C)/C(=N/NC(=O)c1ccc(Cl)cc1)C2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Nc1ncc(-n2ccnc2)s1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=c1n(C)nc(c2ccccc21)C(N1CCC(CC1)(c1ccc(cc1)Cl)O)=O
### Response:
Cn1nc(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2c1=O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](NC(=O)N(C)CC[C@@H]1CCCC[NH+]1C)C(=O)N1CCCC[C@@H]1C
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@H]1[13*]
Fragment 2: [1*]C(=O)C1CC1
### Response:
COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2C(=O)C2CC2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [6*]C(=O)[C@H]1C(C(=O)OC)=Nc2nnnn2[C@@H]1c1ccc(Cl)cc1
Fragment 2: [16*]c1ccc(OC)c(OC)c1
### Response:
COC(=O)C1=Nc2nnnn2[C@H](c2ccc(Cl)cc2)[C@H]1C(=O)c1ccc(OC)c(OC)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(C[NH2+]C[C@@H]1CCCO1)Nc1cccc(C(F)(F)F)c1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(COc1ccccc1[N+](=O)[O-])NC1CCC(c2ccccc2)CC1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(ccc1CCNC(NCCC(N(C)C)=O)=O)CC
### Response:
CCc1ccc(CCNC(=O)NCCC(=O)N(C)C)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(=O)N1CCCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccccc1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
O=C(c1cc(=O)[nH]c2ccccc12)N1CCC([C@H](O)c2ccccc2)CC1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC[C@H](C)[C@@H](O)CNC(=O)C(=O)Nc1cccc([S@](C)=O)c1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@H](Oc1cc(C)ccc1Cl)C(=O)Cl
### Response:
4 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(C)ccc([C@@]2(N(C(C)C)C(=O)c3ccccc23)O)c(c1)C
### Response:
Cc1ccc([C@@]2(O)c3ccccc3C(=O)N2C(C)C)c(C)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1ccccc1NC([C@H](CC)C)=O
### Response:
CC[C@H](C)C(=O)Nc1ccccn1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1n[nH]c2ccc([16*])cc12
Fragment 2: [1*]C(=O)N1CCc2ccccc2CC1
### Response:
COC(=O)c1n[nH]c2ccc(NC(=O)N3CCc4ccccc4CC3)cc12 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1c(Cl)cccc1NC(=O)CCNC(=O)N1CC[C@H](C)[C@@H](O)C1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C[4*]
Fragment 2: [5*]Nc1ccccc1C
### Response:
Cc1ccccc1NC(=O)CSc1nc2nc(N3CCCC3)sc2c(=O)n1C |
functional_group | ### Instruction:
Does the molecule contain a halide group?
Cc1ccc(-c2csc(SCC(=O)N(C)C)n2)cc1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a ether group?
COc1ccc([C@H](C)NC(=O)N[C@H](C)[C@H](C)c2ccccc2)cc1OC
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
CCOCCO[C@@H](C)C(=O)N1CC[C@@H](C)[C@H](O)C1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a halide group?
NC(=O)c1ccnc(N(CC(=O)[O-])CC(F)(F)F)c1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCS[C@H]1CC[C@@H](Nc2ccc(Br)cn2)C1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cc([14*])nn([9*])c1=O
Fragment 2: [1*]C(=O)C[8*]
### Response:
Cc1ccc(-c2cc(NC(=O)C(C)C)c(=O)n(CC(=O)Nc3cccc(C)c3)n2)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(ccccc1/C=C/C(=O)NNC(=O)c1cc(C)oc1C)[N+](=O)[O-]
### Response:
Cc1cc(C(=O)NNC(=O)/C=C/c2ccccc2[N+](=O)[O-])c(C)o1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCc1cccc(C(=O)N[C@H]2CCC[C@@H]2C(=O)OC)c1O
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
CC[C@@H](C)NC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)Cc1ncc(CN2CCC([NH+]3CCC[C@@H]3C)CC2)s1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1OCC[C@@H]1C(=O)c1ccc(Br)cc1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@@H](CO)[NH2+]C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@@]34O[C@H]4[C@@H]21
### Response:
4 |
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