task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CNC(=O)c1ccc(Cl)c(NC(=O)[C@H]2C=C[C@@H]([NH3+])C2)c1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
NC(=O)[C@@H]1CCN(C(=O)CCc2cccc(Br)c2)C1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1nc(CCNC(=O)[C@H]2CCC(=O)N(Cc3ccccn3)C2)nc2c1CCCC2
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1ccnc([14*])c1=O
Fragment 2: [3*]Oc1ccccc1[N+](=O)[O-]
### Response:
CC(C)Cn1ccnc(Oc2ccccc2[N+](=O)[O-])c1=O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](NC(=O)CCNC(=O)c1ccc(F)cc1)c1cnn(-c2ccccc2)c1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCCn1c(S(=O)(=O)CCCc2ccc(Cl)cc2)n[nH]c1=O
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1=CC[C@@H]2CN(C[C@H]2C1)C(C(=O)Nc1ccc(cc1)C#N)=O
### Response:
N#Cc1ccc(NC(=O)C(=O)N2C[C@H]3CC=CC[C@@H]3C2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC1=C(C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)CCCO1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(-c2nc(CNC(=O)N[C@@H]3C[C@](C)(OC)C3(C)C)n[nH]2)cc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
CCn1c(SCC(=O)c2ccc(OC)cc2)nc2ccccc21
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N(c1ccc([N-]S(CC)(=O)=O)cc1)c1c2CCCc2nc(-c2ccncc2)n1
### Response:
CCS(=O)(=O)[N-]c1ccc(Nc2nc(-c3ccncc3)nc3c2CCC3)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1sc(nc1)C[C@H]1[C@@H]([NH2+]C)CC[C@@H](C(C)C)C1
### Response:
C[NH2+][C@H]1CC[C@@H](C(C)C)C[C@H]1Cc1nccs1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCN(CC1CC1)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1ccc([C@H]2[C@H](C(=O)Nc3ccccc3)[C@@H](C)Nc3ncnn32)cc1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccc([C@@H]2NC(=O)c3c(sc4c3CC[NH+](C)C4)N2)c1O
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(C)c(-c2c(N3CCN(C4CCCCC4)CC3)c(=O)c2=O)cc1C
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1cccc(NCc2ccc(O)cc2)c1C
### Response:
Cc1ncccc1NCc1ccc(O)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Cc1cc(OC)ccc1NC(Cn1cnc2c3cc(C)ccc3[nH]c2c1=O)=O
### Response:
COc1ccc(NC(=O)Cn2cnc3c([nH]c4ccc(C)cc43)c2=O)c(C)c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1cccc([C@H]2C[NH2+]CC[NH+]2C)c1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[C@H]2[C@H]3[C@H]([C@@H]1C=C2)C(=O)N(CCC(Nc1ccccc1O)=O)C3=O
### Response:
O=C(CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@@H]2C1)Nc1ccccc1O |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(NC(=O)c2cccs2)cc1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C=CCSc1nnc2n1CCCCC2
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Clc1ccc2[nH]c3c(c2c1)C[NH+](Cc1cnc2cnccn12)CC3
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
NC1=NC(=O)[C@@H](CC(=O)N2CC[C@H](c3ccccc3)C2)S1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cc(C[NH+](C)CC(=O)NCC2CCCCC2)ccc1O
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C1CC[C@]2(CCOC2)CN1C1CC[NH+](Cc2cccnc2)CC1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccc([C@H]2CCCN2C(=O)NCc2ccsc2)c1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccccn1
Fragment 2: [1*]C(=O)N1CCC[NH+]([5*])CC1
### Response:
CC(C)NC(=O)N1CCC[NH+](Cc2ccccn2)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc([C@@H]2CC(=O)c3cc(C(=O)NCc4ccc(C)cc4)c(=O)[nH]c3C2)cc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCC[NH+](C)C[C@@H]1CCN(C(=O)Nc2cc(C)nn2C)C1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCC[NH+]1CCCn2nc(CNC(=O)[C@@H]3CCc4ccccc4C3)cc2C1
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1cccc2cc(C(=O)N3CCN(C(=O)[C@@H]4C[C@@H]4c4ccccc4)CC3)c(=O)oc12
### Response:
4 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1cc(NC2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)cc(OC)c1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
C[C@@H]1C[C@@H](NC(=O)NCCc2ccc(O)cc2)CN1c1ccccc1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC1CCN(c2[nH+]cccc2C(=O)[O-])CC1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc(O[C@@H](C)C(=O)N(C)CCc2cccs2)cc1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(COc1ccccc1)N1N=C(c2ccncc2)C[C@@]1(O)C(F)(F)F
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1cc(C)no1
Fragment 2: [5*][NH+]1CCC[C@H]1[13*]
### Response:
Cc1cc([C@@H]2CCC[NH+]2Cc2ccc(O)cc2)on1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
COc1cccc(CN(C)C(=O)c2nccnc2N)c1OC
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
CCc1n[nH]c(=S)n1CCNC(=O)c1ccncc1F
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)N[5*]
Fragment 2: [15*][C@@H]1CCC[C@H](C)C1
### Response:
C[C@H]1CCC[C@@H](NC(=O)Nc2cccc(N3CCNC3=O)c2)C1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)C[NH+]1CCC[C@@H](CNC(=O)c2cnc(Oc3ccccc3)cn2)C1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CCC(CCCC1)NC(=O)CN(C[C@@H]1CCC[NH+]1C)C
### Response:
CN(CC(=O)NC1CCCCCCC1)C[C@@H]1CCC[NH+]1C |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1Cl
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(Cl)cc1NC(=O)C(=O)NCC[NH+]1CCC(c2ccsc2)CC1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1cc(=O)n2nc(C)sc2n1
Fragment 2: [5*][NH+](C)[C@H]1CCc2ccccc21
### Response:
Cc1nn2c(=O)cc(C[NH+](C)[C@H]3CCc4ccccc43)nc2s1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1cc(SCC(=O)Nc2cccc(Cl)c2)nc2ccc(S(=O)(=O)N3CCOCC3)cc12
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a halide group?
Cc1ccc(F)cc1C(=O)Nc1cccc(SC(=O)N(C)C)c1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCn1nc(C)c(Br)c1CN1C[C@@H](C)C[C@H]([NH3+])C1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)(NCc1nc(-c2ccco2)no1)c1nccs1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
c1cnc([C@H]2CCC[NH+](C3CCCCC3)C2)cn1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*]C1CCCCC1
Fragment 2: [1*]C(=O)N1CCC[C@@H]1[13*]
### Response:
CCN(CC)C(=O)CCCNC(=O)N1CCC[C@@H]1C1CCCCC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(CNC(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
### Response:
5 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CC(N)=S
Fragment 2: [5*]N([5*])C(C)C
### Response:
CC(C)N(CC(N)=S)Cc1cc(F)cc(Br)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1cccs1
Fragment 2: [1*]C(=O)[C@H]([4*])C(C)C
### Response:
CC(C)[C@@H](Sc1nnc(-c2cccs2)o1)C(=O)N1C[C@@H](C)C[C@H](C)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
COc1c2nc(NC(=O)c3c(cccc3)SCC)sc2c(Cl)cc1
### Response:
CCSc1ccccc1C(=O)Nc1nc2c(OC)ccc(Cl)c2s1 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
C[C@@H](NC[C@H](O)c1ccncc1)c1c(F)cccc1N1CCOCC1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C1C[C@H](C(=O)N2CCC[C@H]2c2cccs2)CN1Cc1ccco1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@@H]1CC(C)(C)OC1(C)C
Fragment 2: [16*]c1ccc2c(c1)CCC(=O)N2
### Response:
CC1(C)C[C@@H](Nc2ccc3c(c2)CCC(=O)N3)C(C)(C)O1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccccc1-c1nnc(SCCC(=O)[O-])o1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CO[C@@H](CNC(=O)CCC1CCN(C(C)=O)CC1)c1ccc(F)cc1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1c(C[NH+]2CCC(C(=O)NC(C)C)CC2)c(C)nn1C
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
COc1cccc2c(C)cc(SCC[NH+]3CCCCC3)nc12
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CCOC(=O)[C@@H](C)n1c(=O)c(C(F)(F)F)nc2cc(C)c(C)cc21
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cc2nc([C@@H]3CSc4ccccc43)[nH]c2cc1C
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC1=CC(=O)N(c2cccc(Cl)c2C)C1=O
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc3ccccc3oc2=O)c1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+]1CCC[C@H]1[13*]
Fragment 2: [6*]C(=O)NC
### Response:
CNC(=O)[C@@H]1CCC[NH+]1Cc1cccn1C |
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)c1ccn([9*])n1
### Response:
Cc1ccc2c(c1)N(C(=O)c1ccn(-c3ccccc3)n1)C[C@@H](C)O2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(CCCc1ccccc1)NNC(=O)N[C@H]1CCN(c2ccccc2)C1=O
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(NC(N(Cc2c(F)cccc2)C2CC2)=O)c2c(cncc2)ccc1
### Response:
O=C(Nc1cccc2cnccc12)N(Cc1ccccc1F)C1CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1c(C)c([16*])c(=O)n2nc([14*])nc12
Fragment 2: [8*]Cc1ccccc1
### Response:
Cc1ccc(-c2nc3n(CC(=O)N4CCCC[C@@H]4C)c(C)c(Cc4ccccc4)c(=O)n3n2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@]1(O)CCc2ccccc21
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CCOC(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3cccc(F)c3)c2)cc1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(C#N)cn1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1ccc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1NS(C)(=O)=O
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc2c(c1)CCC/C2=N\OCC(=O)NCc1ccco1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCC[C@]12CN3CC[NH+](C[C@H](C3)[C@H]1O)C2
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@@H]([NH2+][C@@H]1CCN(C(C)=O)C1)c1ccc2cc(OC)ccc2c1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
O=C(O[C@H]1CCOC1)C1(c2ccc(Cl)c(Cl)c2)CCC1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCc1nn(C)c(CC)c1C[NH2+][C@H](CC)c1ccc2c(c1)CCO2
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Cc1n(-c2cc3c(cc2)CCC3)c(c(c1)C(CSc1nnc2n1cccc2)=O)C
### Response:
Cc1cc(C(=O)CSc2nnc3ccccn23)c(C)n1-c1ccc2c(c1)CCC2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cnccc1SC[C@](c1ccccc1)(C(N)=O)NC
### Response:
CN[C@](CSc1ccncc1)(C(N)=O)c1ccccc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1N(C(C[C@H]1C(=O)N(C)CC1CC1)=O)Cc1ccc(cc1)OC
### Response:
COc1ccc(CN2C[C@H](C(=O)N(C)CC3CC3)CC2=O)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]Cc1ccccc1
Fragment 2: [16*]c1ccccc1
### Response:
Fc1ccc(-c2nnc([S-])n2Cc2ccccc2)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCn1c(=O)c2ccccc2n(CC(=O)Nc2c(F)cccc2F)c1=O
### Response:
0 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(-n2nc(C)c3c2N=C(O)C[C@H]3c2ccccc2OCC(C)C)nn1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
O=c1ccc(-c2ccco2)nn1CCNS(=O)(=O)/C=C/c1ccccc1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCC[NH+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C1CCSCC1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COC[C@@H](NCc1cnc2ccsc2c1)c1ccc(F)c(F)c1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc(N(CCOC(=O)c2cccnc2)C2=NS(=O)(=O)c3ccccc32)cc1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][N-]c1ccc([16*])cc1
Fragment 2: [12*]S(=O)(=O)c1cccc(C#N)c1
### Response:
N#Cc1cccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)cc2)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCC1(CNC(=O)Nc2cccn(Cc3ccccc3)c2=O)CC1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1c2ccc(cc2sc1NC(=O)[C@@H](Sc1cc(c2c(c(C)ccc2)n1)C)CC)S(=O)(N)=O
### Response:
CC[C@H](Sc1cc(C)c2cccc(C)c2n1)C(=O)Nc1nc2ccc(S(N)(=O)=O)cc2s1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
S(c1ccc(cc1)C(=O)NC[C@@H]1N2CC[NH+](C1)CC2)(=O)(=O)N1CCOCC1
### Response:
O=C(NC[C@H]1C[NH+]2CCN1CC2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@@H](CC)CCCC
Fragment 2: [5*]N1CCS[C@@H]1[13*]
### Response:
CCCC[C@H](CC)C(=O)N1CCS[C@@H]1c1cccs1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*]C1CC1
Fragment 2: [5*]Nc1cc(Cl)ccc1F
### Response:
C[C@@H](Sc1nncn1C1CC1)C(=O)Nc1cc(Cl)ccc1F |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COCC(=O)N1CCCCC[C@H]1C1CC[NH+](Cc2nnc(C3CC3)o2)CC1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCCOc1ccc(Br)cc1C[NH+]1CCC([C@@H](C)O)CC1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc(CN(CC)[C@H]2CCC[C@@H]2[NH3+])nc1
### Response:
CCN(Cc1ccccn1)[C@H]1CCC[C@@H]1[NH3+] |
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