task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
functional_group | ### Instruction:
Does the molecule contain a nitro group?
COC(=O)c1cccc(C(=O)N2C[C@H](C)S[C@@H](C)C2)n1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(C(=O)N2CCC[C@@H]2C(C)C)sc1/C=C/C(=O)[O-]
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
Cc1cc(C)cc(CN[C@H](C)C(N)=O)c1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
NS(=O)(=O)c1cccc(NC(=O)CSCC2CCCCC2)c1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]C[C@H]([8*])O
Fragment 2: [15*]C1CCCC1
### Response:
O[C@H](C[NH2+][C@@H]1CCCc2sccc21)C1CCCC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccc(-c2nnc(SCC(=O)C(C)(C)C)o2)c1
### Response:
4 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COC(=O)[C@@H](C)[C@@H](C)S(=O)(=O)C(C)C
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@H](O)(c1cn2c(n1)cccc2)C1(C#N)CCC(CC1)(C)C
### Response:
CC1(C)CCC(C#N)([C@@H](O)c2cn3ccccc3n2)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC1(C)CCCc2[nH+]cnc(N)c21
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
N#Cc1nccn1-c1ncc(C(F)(F)F)cc1Cl
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@H]21
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
COc1ccc([C@H](NC(=O)N2CCc3ccc(F)cc3C2)C2CCOCC2)cc1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[NH2+]Cc1cc2ccccc2nc1N(C)[C@H]1CCSC1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
COC(=O)[C@@H](C)Sc1ccc(NC(=O)c2ccc(C)cc2)nn1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a amine group?
C=C[C@H](CC(=O)Nc1ccc(F)cc1[N-]S(C)(=O)=O)c1ccccc1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cc(CN(C)C(=O)c2nnn(-c3ccc(OC(C)C)cc3)c2C)no1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C([O-])CCCCCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCCN[5*]
Fragment 2: [1*]C(=O)C(C)C
### Response:
Cc1cc(C(=O)NCCNC(=O)C(C)C)c(C)o1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C[NH+]1CCCC[C@H]1Cn1c(=S)[nH]c2cccnc21
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
Cc1cc(F)ccc1NC(=O)C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
CC(C)NC(=O)c1cccc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)c1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)CC[8*]
Fragment 2: [16*]c1ccccc1C
### Response:
COc1ccccc1[C@@H](NC(=O)CCc1ccccc1C)c1noc(C)n1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)N1CC[C@H](c2ccccc2)C1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C1[C@H](N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)CCN1c1ccccc1
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC[NH2+][C@@H](c1ccc(Cl)c2ccccc12)[C@H]1COCCO1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(C2(C(=O)N3CC[C@@H](C3)Nc3ccccc3)CCOCC2)ccc(F)cc1
### Response:
O=C(N1CC[C@H](Nc2ccccc2)C1)C1(c2ccc(F)cc2)CCOCC1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccsc1S(=O)(=O)[N-]c1ncccc1-c1ccccc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N(C)C[8*]
Fragment 2: [1*]C(=O)C1CCN([5*])CC1
### Response:
CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccc(F)cc3)CC2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC1CC[NH+](CCNC(=O)Cc2ccc(-n3cnnn3)cc2)CC1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@]1(c2nc3ccc(Br)cc3s2)CC[NH2+]C1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC(Nc1nnc(s1)SCC(=O)NC(=O)NC(C)C)(C)C
### Response:
CC(C)NC(=O)NC(=O)CSc1nnc(NC(C)(C)C)s1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(CCS(=O)(=O)NCC(N1CCC[C@H]1c1ccc(O)cc1)=O)C
### Response:
CCCCS(=O)(=O)NCC(=O)N1CCC[C@H]1c1ccc(O)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
S=C1N(c2ccccc2)CN(CCN2CCOCC2)CN1c1ccccc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1nc(-c2ccc(C(=O)NCC(=O)NC3CCCCCC3)cc2)no1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C[4*]
Fragment 2: [5*]N1CCC[C@H]([15*])CC1
### Response:
CCC[C@H]1CCCN(C(=O)CN2CCC([NH3+])CC2)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(NCc1scc(-c2ccccc2)n1)(NCC[C@H](O)C(C)C)=O
### Response:
CC(C)[C@@H](O)CCNC(=O)NCc1nc(-c2ccccc2)cs1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1csc([C@H]2CCC[NH+](Cc3ccc(OC)c(OC)c3)C2)n1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C([C@@H]1CCCc2ccccc21)N(CCC(F)(F)F)CC1CC1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc([16*])cc1
Fragment 2: [6*]C(C)=O
### Response:
CC(=O)c1ccc(N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)cc1 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
CCCN(C(=O)C1CC=CC1)[C@@H]1CCc2ccccc2C1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=C(CCCc1c[nH]c2ccccc12)N[C@H]1CC[NH+]2CCCC[C@H]12
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a halide group?
O=C(/C=C\c1cn(C[C@@H](O)CN2CCc3ccccc32)c2ccccc12)c1ccccc1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN(C(=O)CNC(=O)NCC1CCCC1)c1nc(C)cs1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)n1ncc2cc(NC(=O)c3c[nH]c4cc(Cl)ccc34)cnc21
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1CCc2nc(C[NH+]3CCC(N4CCCNC4=O)CC3)sc2C1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)(O)[C@H]1C=C[C@](C)(O)CC1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Clc1c(ccc(NC(C)=O)c1)NC(=O)N1CCN(CC1)c1ccccc1
### Response:
CC(=O)Nc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)c(Cl)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@H]([8*])CC
Fragment 2: [8*][C@H](CC)S[11*]
### Response:
CC[C@H](SCc1ccnn1C)c1ccc(F)cc1F |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(COC(C)(C)C)ccc(N[C@H](C)c2ccc(C#N)cc2)cc1
### Response:
C[C@@H](Nc1ccc(COC(C)(C)C)cc1)c1ccc(C#N)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(Nc1cccc(NC(=S)Nc2ccccc2)c1)c1ccco1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
C[C@@H](NC(=O)COc1ccc(C(F)(F)F)cc1)c1ccc(Br)cc1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@@H](C)C(=O)OC
Fragment 2: [1*]C(=O)CC[8*]
### Response:
COC(=O)[C@H](C)N(C(=O)CCC1CCCC1)[C@@H]1CCS(=O)(=O)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cccc2ccccc12
Fragment 2: [1*]C(C)=O
### Response:
CC(=O)N1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc23)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCNC(=O)C1CC[NH+](CC(=O)Nc2c(Cl)cccc2Cl)CC1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C([NH2+][C@H](C(C)C)C(C)([NH+](C)C)C)CC
### Response:
CCC[NH2+][C@H](C(C)C)C(C)(C)[NH+](C)C |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COC[C@H](Nc1ccc(C(=O)N(C)C)nn1)C(C)C
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1cc(C[NH+]2CC[C@H](N[C@@H](C)c3nccs3)C2)cc(OC)c1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@@H]2C=C[C@H]1C2
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
Cc1cccc(C)c1OCC(=O)N1CCC(c2cc3nc(N(C)C)ncc3c(=O)[nH]2)CC1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COCCSc1ccc(N)cn1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OC1CCCC1
Fragment 2: [5*][NH+]1CCC([15*])CC1
### Response:
c1cc(C[NH+]2CCC(OC3CCCC3)CC2)cc(-n2cccn2)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O1c2ccc(cc2OC1)/C=C/C(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1
### Response:
O=C(/C=C/c1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)c2ccccc2)CC1 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
CC[NH+](CC)CCNC(=O)c1c[nH]c2c(C)cccc2c1=O
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
C1CC[C@@H]2S[C@@H]3CCCC[C@H]3N=C2C1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[NH2+][C@@H]1CC[C@@H](OCCOC(C)C)C1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(Nc1cccnc1Cl)N1CCC[C@@H](C(=O)N2CCOCC2)C1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(C[NH+]1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1)N1CCOCC1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(N1[C@@H](C)CCCC1)Nc1noc2-c3ccccc3OCc21
### Response:
C[C@H]1CCCCN1C(=O)Nc1noc2c1COc1ccccc1-2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCn1cc(Br)cc1C(=O)N1C[C@H](C)[C@@H](C)C1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
CCS[C@H]1CC[C@]1([O-])CNC(=O)Nc1cnn(C(C)(C)C)c1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc2n[nH]nc2c1
Fragment 2: [16*]c1ccc2n[nH]nc2c1
### Response:
Cc1csc(Nc2ccc3n[nH]nc3c2)[n+]1C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@@H]1COc2c(cccc2OC)C1
Fragment 2: [4*]Cc1nc2ccccc2nc1C
### Response:
COc1cccc2c1OC[C@@H](NCc1nc3ccccc3nc1C)C2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1C[C@@H](CNC(=O)N[C@@H]2CCSc3c2cc(Cl)cc3)CO1
### Response:
O=C(NC[C@@H]1CCOC1)N[C@@H]1CCSc2ccc(Cl)cc21 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1cccc(-n2cnnc2)n1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(F)c(ccc1)[C@H](c1noc(n1)C)NC([C@@H]1[C@@H](C)OCC1)=O
### Response:
Cc1nc([C@H](NC(=O)[C@H]2CCO[C@@H]2C)c2ccccc2F)no1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)CC[NH2+][5*]
Fragment 2: [1*]C(=O)CC[4*]
### Response:
Cc1noc(C)c1[C@@H](C)NC(=O)CC[NH2+]C(C)C |
functional_group | ### Instruction:
Does the molecule contain a ester group?
O=C(Nc1ccc(Br)cn1)[C@H]1CCCc2ccccc21
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(C)ccc(c1)-c1sc2[C@@H](CCCc2n1)[NH2+]Cc1n(cnn1)C1CC1
### Response:
Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]Cc2nncn2C2CC2)CCC3)cc1 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
CCc1nnc(C2(c3ccc(Cl)cc3)CCOCC2)o1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1ccc(-n2[nH]c(C(=O)N(Cc3ccccc3)C3CC3)cc2=O)cc1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a amide group?
O=C(Nc1ccc(F)cc1)[C@H]1C[C@H]2CSCN2[C@]12C(=O)Nc1ccccc12
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(CCS(=O)(=O)c1ccccn1)Nc1ccc(Cl)cc1F
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
FC(c1nc(nc(OCC)c1)[C@@H](C)C[NH3+])(F)F
### Response:
CCOc1cc(C(F)(F)F)nc([C@@H](C)C[NH3+])n1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1C(CC[NH2+]C1)C[NH+]([C@@H](C)c1cccnc1)C(C)C
### Response:
CC(C)[NH+](CC1CC[NH2+]CC1)[C@@H](C)c1cccnc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccccc1-c1c2c(nc(c1)S[C@@H](C(=O)N1CCNC1=O)C)cc(cc2)OC
### Response:
COc1ccc2c(-c3ccccc3)cc(S[C@H](C)C(=O)N3CCNC3=O)nc2c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1noc([C@H](C)Oc2ccc(-n3cnnn3)cc2)n1
### 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)c1ccoc1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CSCC(=O)NC[C@H](O)c1ccco1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*]C1CCCCC1
Fragment 2: [1*]C(=O)C[8*]
### Response:
O=C(Cc1ccc(Br)cc1)Nc1nnc(C2CCCCC2)s1 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
O=C(Oc1ccc(-n2cnnn2)cc1)c1ccsc1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCC(=O)N[C@H]1CCC[NH+](Cc2cc[nH]n2)C1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NC[C@@H]([8*])C
Fragment 2: [1*]C(=O)C[8*]
### Response:
COC1CCC(CC(=O)NC[C@H](C)c2nc(-c3ccccc3)no2)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCc1ncnn1C
Fragment 2: [5*]N1C[C@@H](C)O[C@@H](C)C1
### Response:
C[C@@H]1CN(C(=O)NCc2ncnn2C)C[C@H](C)O1 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
Cc1cc([C@@H](C)n2c(N)nc3c(C)nn(C)c32)c(C)s1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCN(c2ccccc2Cl)CC1
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(Nc1ccc(F)cc1)c1cccc(-n2cnnc2)n1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccc(OCC(=O)N2CCC[C@@](C)(C(=O)NCc3ccc(F)cc3)C2)c1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
Cc1c(Cl)cccc1NC(=O)CCNC(=O)N1CC[C@H](C)[C@@H](O)C1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCc1ccc(C)cc1C
Fragment 2: [1*]C(=O)N(CC)CC
### Response:
CCN(CC)C(=O)OCc1ccc(C)cc1C |
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