task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(CC)c1c(C)sc(C(=O)NOCC)c1
### Response:
CCCc1cc(C(=O)NOCC)sc1C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CCCC2(C[C@H](CCO2)[NH2+]CCC(F)(F)F)C1
### Response:
FC(F)(F)CC[NH2+][C@H]1CCOC2(CCCCC2)C1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCSC(C)(C)C1
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C[C@H](Cc1ccccc1F)NC(=O)C(=O)Nc1ccc(Cl)cc1F
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(=O)Nc1cccc(NC(=O)C(=O)NCC[NH+]2CCCC[C@@H]2C)c1C
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOC1CCN(/C(NCc2cccc(N(C)C)c2)=[NH+]\C)CC1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COCCn1cc(NC(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)cn1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CSCC[C@](C)(O)CNC(=O)Nc1ccccc1C
### Response:
4 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COCCOc1ccc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)cc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc2c(C(N(CCC(NCc3c(cccc3)OC)=O)[C@@]3(C)CCC(N23)=O)=O)c1
### Response:
COc1ccccc1CNC(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COCCCN1C(=O)C([O-])=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1C
Fragment 2: [14*]c1noc([14*])n1
### Response:
Cc1ccccc1-c1cc(O)c2c(c1)CN(c1nc(-c3ccccc3)no1)CCO2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOc1cccc(CN2CC[NH+](C[C@H]3CCOC3)CC2)c1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(N2CCC(C(=O)NCc3ccc[nH]3)CC2)[nH+]c1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(NC(=O)C(=O)Nc2cc(F)ccc2F)cc1N1CCCC1=O
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C=CCN1C(=O)N[C@@H](c2csc(Br)c2)C(C(=O)OCC)=C1C
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cc(F)ccc1F
Fragment 2: [5*]N1CCc2cc(F)ccc2C1
### Response:
O=C([C@@H]1C[C@@H]1c1cc(F)ccc1F)N1CCc2cc(F)ccc2C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CCc1nsc(n1)Oc1c(Cl)cc(C=O)c(Cl)c1
### Response:
CCc1nsc(Oc2cc(Cl)c(C=O)cc2Cl)n1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]Cc1c(C)nc(S[11*])[nH]c1=O
Fragment 2: [8*]Cc1ccccc1
### Response:
CCc1ccc(NC(=O)CSc2nc(C)c(Cc3ccccc3)c(=O)[nH]2)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)C[C@H](C)CC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CC[C@@H](NC(=O)Cc2ccc(-c3ccccc3)cc2)[C@H](C1)N1C(=O)SCC1=O
### Response:
O=C(Cc1ccc(-c2ccccc2)cc1)N[C@@H]1CCCC[C@@H]1N1C(=O)CSC1=O |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1C[C@@H](C=C1c1ccc(Cl)cc1)OC([C@@H]1Cc2c(cn[nH]2)CC1)=O
### Response:
O=C(O[C@@H]1C=C(c2ccc(Cl)cc2)CC1)[C@H]1CCc2cn[nH]c2C1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
CCN[C@@H](c1cnccn1)C1([NH+](C)C)CCCC1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCC[C@@H]2O)ccc1F
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(CCn1ccc2ccccc21)N1CCc2ccc([N+](=O)[O-])cc2C1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@H](C)O[3*]
Fragment 2: [5*]Nc1ccc(CC)cc1
### Response:
CCc1ccc(NC(=O)[C@H](C)OC(=O)c2cnc(C)cn2)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1(CCN(C(C(C)C)=O)CC1)c1nc(nc(c1)OCCC)C
### Response:
CCCOc1cc(N2CCN(C(=O)C(C)C)CC2)nc(C)n1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(Cl)cc1
Fragment 2: [1*]C(=O)[C@H](C)S(=O)(=O)c1ccc(C)cc1C
### Response:
Cc1ccc(S(=O)(=O)[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)c(C)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cnn(C[8*])c1
Fragment 2: [8*]Cc1ccc(C)cc1
### Response:
Cc1ccc(Cn2cc(NC(=O)c3cccnc3)cn2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
S=c1[nH]c(-c2ccccc2)c(-c2ccccc2)[nH]1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1nn(C)cc1CNC(=O)N1CC[C@@H](S(=O)(=O)NC(C)C)C1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COC[C@H]([NH2+][C@H](C)c1cc2c(cc1[N+](=O)[O-])OCO2)C1CC1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(OCC)[C@@](Nc1cc(F)ccc1)(NC(C)=O)C(F)(F)F
### Response:
CCOC(=O)[C@](NC(C)=O)(Nc1cccc(F)c1)C(F)(F)F |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
CCc1nc(-c2ccc(N3CCN(C(=O)[C@@H](C)NC(=O)c4ccccc4)CC3)cc2)no1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)N1CC[C@@H](NC(=O)[C@@H](O)c2ccccc2)c2ccccc21
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCCCN(Cc1ccco1)C(=O)Cn1ncc2c([nH]c3ccccc32)c1=O
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOc1cc2c(cc1CNC(=O)CCc1ccc(F)cc1)O[C@@H](C)C2
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C1O[C@H](O)c2cccc3ccc4cccc1c4c23
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1ccc2ccccc21
Fragment 2: [1*]C(=O)[C@@H]1C=C(C[8*])N=N1
### Response:
COC[C@@H]1CCCN(C(=O)[C@@H]2C=C(Cn3ccc4ccccc43)N=N2)C1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)(O)CNC(=O)c1c(F)ccc([N+](=O)[O-])c1F
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]COC
Fragment 2: [5*]N1CCO[C@@H]([13*])C1
### Response:
COC[C@H]1CN(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)CCO1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(N[C@H](C)CC)[C@@H](C)N1CC(C)(C)OCC1
### Response:
CC[C@@H](C)NC(=O)[C@@H](C)N1CCOC(C)(C)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]Oc1cc([16*])ccc1[16*]
Fragment 2: [3*]OCC
### Response:
CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc1OC(C)=O |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
C[C@H](Cn1cc[nH+]c1)NC(=O)NNC(=O)c1cccc2ccccc12
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)CCN(C(=O)NCc1ccc(N2CCOCC2)cc1)C1CC1
### Response:
0 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC1=NC(C)=C(C(=O)N2CCCCC2)[C@H]1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C#N)cc2)CC1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]COC
Fragment 2: [5*][N-]c1ccccc1[16*]
### Response:
COCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCO[C@H]1CCCN(C(=O)N[C@H]2CCc3c(Br)cccc32)C1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
CC(C)(C)OC(=O)N1CC[C@H]([S@@](=O)c2cccc(Cl)c2Cl)C1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1csc(Br)c1
Fragment 2: [16*]c1cc(C)ccc1OC
### Response:
COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1csc(Br)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1C[C@@]2(CS1)CC(=O)NC(=O)[C@@H]2c1ccc(F)cc1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1c2c(cccc2)c(=O)[nH]c1[C@H](N1CCN(S(=O)(c2c(c(C)c(c(c2C)C)C)C)=O)CC1)C
### Response:
Cc1c(C)c(C)c(S(=O)(=O)N2CCN([C@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)c(C)c1C |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[NH2+][C@@]1(CO)CC[C@H](n2ccc(C(F)(F)F)n2)C1
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
N#Cc1ccc(NC[C@@H](O)COc2ccc(F)c(F)c2)nc1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc(cc1/C=C(/C(c1ccc(cc1)CCC)=O)C#N)[N+](=O)[O-]
### Response:
CCCc1ccc(C(=O)/C(C#N)=C/c2cccc([N+](=O)[O-])c2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [10*]N1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O
Fragment 2: [5*]NCc1ccccc1
### Response:
O=C(CCN1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O)NCc1ccccc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COCc1nc2cc(NCc3ccc(N4CCCCC4)cc3)ccc2o1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(C)ccc(-n2nc3c(c2NC(=O)c2oc(Br)cc2)CSC3)cc1C
### Response:
Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Br)o2)CSC3)cc1C |
functional_group | ### Instruction:
Does the molecule contain a ether group?
Cn1cc(C(=O)C[C@H]2CCC[NH+]2CCOc2ccc(F)cc2Cl)cn1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n12c(Sc3ccc(C#N)c(c3)[N+](=O)[O-])nnc2cccc1
### Response:
N#Cc1ccc(Sc2nnc3ccccn23)cc1[N+](=O)[O-] |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(OC)cc(N[C@@H]2CCOC3(CCCC3)C2)c(cc1)F
### Response:
COc1ccc(F)c(N[C@@H]2CCOC3(CCCC3)C2)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCC[C@H]([NH3+])C[S@@](=O)Cc1cc(C)cc(C)c1
### Response:
5 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2C2CCCCC2)cc1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nn(C)cc1CCC(=O)N1CC[C@H](C(N)=O)c2ccccc21
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(nccc1)C(Nc1sc2CN(CCc2n1)Cc1ccc([N+](=O)[O-])cc1)=O
### Response:
O=C(Nc1nc2c(s1)CN(Cc1ccc([N+](=O)[O-])cc1)CC2)c1ccccn1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
CCOc1ccc(NC(=O)c2cc(Cl)nc([O-])n2)cc1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccccc1C1=C[C@H]([C@H]2NC(c3cccc(F)c3)=NO2)N=N1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(Cc2cscn2)CC1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C1CCN(C([1*])=O)CC1
Fragment 2: [1*]C(=O)C1CCN([5*])CC1
### Response:
C[C@H]1CCC[C@@H](N(C)C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOC(=O)c1cc2ccsc2n1CC(=O)Nc1c(C)cc(C)cc1C
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(CC(=O)Nc2[nH]ncc2N)cc(ccc1)Br
### Response:
Nc1cn[nH]c1NC(=O)Cc1cccc(Br)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)cc(Cl)c1O
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C/C(=N/NC(=O)CCC(=O)Nc1cccc(Cl)c1C)c1ccc(Cl)cc1
### Response:
4 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
O=S(=O)(c1ccc(Nc2ccc(-c3ccccc3F)nn2)cc1)N1CCCCC1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[NH+](C)C[C@@](C)(O)CNC(=O)NCC(C)(C)c1ccncc1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@H](C)n2cncn2)CC1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(C(NCC(N2CCN(C(=O)c3cnccc3)CC2)=O)=O)sc1
### Response:
O=C(NCC(=O)N1CCN(C(=O)c2cccnc2)CC1)c1cccs1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(NS(=O)(=O)c2cccc(C(=O)NC34CC5CC(CC(C5)C3)C4)c2)cc1
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
OCc1cc2ccccc2nc1N1CC[C@@H]([N+]2=CCCC2)C1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a ether group?
Cc1nc2ccc(C(=O)N(C)C3CCCCC3)cc2nc1C
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a ether group?
Cc1cccc([C@@H](CC(F)(F)F)C(=O)[O-])c1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(cc(c1)-c1csc(n1)NC(=O)CCOCC(F)(F)F)F
### Response:
O=C(CCOCC(F)(F)F)Nc1nc(-c2cccc(F)c2)cs1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(cc2ccc(C)c(C)c2[nH+]c1NCCNC(C12CC3CC(C1)CC(C3)C2)=O)C#N
### Response:
Cc1ccc2cc(C#N)c(NCCNC(=O)C34CC5CC(CC(C5)C3)C4)[nH+]c2c1C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1C[C@@H](C)Oc2ccc(C)cc21
Fragment 2: [1*]C(=O)c1ccc([14*])nc1
### Response:
Cc1ccc2c(c1)N(C(=O)c1ccc(-n3ccnc3)nc1)C[C@@H](C)O2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H](c1ccco1)N(C(=O)Nc1c(F)cc(F)cc1F)C1CC1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
C[C@H]1CCc2c(C(=O)NCc3ccc(S(N)(=O)=O)cc3)csc2C1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOC(=O)c1c(SC)n[nH]c1N
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NC[C@@H](C)C[C@@H](C)O
Fragment 2: [16*]c1ccc(CC)cc1
### Response:
CCc1ccc([C@H](C)NC(=O)NC[C@@H](C)C[C@@H](C)O)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCc1ccc(Cl)cc1Cl
Fragment 2: [1*]C(=O)c1cc(C)nc2c1c(C)nn2C
### Response:
Cc1cc(C(=O)OCc2ccc(Cl)cc2Cl)c2c(C)nn(C)c2n1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC[C@H]1c2ccsc2CCN1C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+]1CCCC[C@@H]1[13*]
Fragment 2: [15*][C@H]1CC[C@H](CC)C1
### Response:
CC[C@H]1CC[C@H]([NH+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)C1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C1=C[C@H]2C[C@@H]1C[C@H]2CN1CC[NH+](C2CCCCCC2)CC1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
COc1ccc(/C=C2\NC(=S)N(Cc3ccccc3Cl)C2=O)cc1O
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(CNC(NC)=O)N1[C@@H](c2ccc(OCC)cc2)CCC1
### Response:
CCOc1ccc([C@H]2CCCN2C(=O)CNC(=O)NC)cc1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
Cc1ccc(C)c2nc3sc(C(=O)Nc4ccc5c(c4)OCO5)c(N)c3cc12
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](NC(=O)CSC(C)(C)C)c1ccccc1Br
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCS(=O)(=O)NCCSc1cc(C)c2ccccc2n1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(F)cc1NC(=O)N1CCO[C@H](c2ccc(C)o2)C1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(NCCC)(=O)Nc1ccccc1C(C)C
### Response:
CCCNC(=O)Nc1ccccc1C(C)C |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.