task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]Oc1ccc(OC)cc1
Fragment 2: [1*]C(=O)c1cccs1
### Response:
COc1ccc(OC[C@H](O)CN2CCN(C(=O)c3cccs3)CC2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C[C@@H]1CN(C[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CCCC3)C[C@H](C)O1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1cccc2cc(C(=O)NCC3CCN(C(=O)NC(C)(C)C)CC3)c(=O)oc12
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[n+]1ccc(N(C)C)cc1
### Response:
0 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1cc(Cl)c(C)cc1NC(=O)Nc1ccc2c(c1)OCO2
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1nc(CN2[C@@H]3CC[C@H](C2=O)CN(C3)C(Nc2cc(C)ccc2)=O)cs1
### Response:
Cc1cccc(NC(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2cscn2)C3=O)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(Cl)c(OC)ccc1NS(=O)(c1ccc(c(C(=O)[O-])c1)Cl)=O
### Response:
COc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1Cl |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H](NC(=O)CCNC(=O)c1ccc(F)cc1)c1cnn(-c2ccccc2)c1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC(C)(C)OCc1ccc(NC(=O)C(N2C[C@@H](C)C[C@H](C2)C)=O)cc1
### Response:
C[C@@H]1C[C@H](C)CN(C(=O)C(=O)Nc2ccc(COC(C)(C)C)cc2)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CCOC(=O)c1c(-c2cc(c(cc2)OC)[N+]([O-])=O)nn(c1)-c1ccccc1
### Response:
CCOC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)c([N+](=O)[O-])c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC1CCC(OC(=O)C2=NC3=C(C(=O)C[C@@H](c4ccccc4)C3)[C@H]2C)CC1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(c(-c2ccncc2)cncn1)-c1ccc(CNC(=O)C(C)(C)C)cc1
### Response:
CC(C)(C)C(=O)NCc1ccc(-c2ncncc2-c2ccncc2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
Cc1ccc(S(=O)(=O)OCCc2coc3ccccc23)cc1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N/C(N)=[NH+]/CCC[8*]
Fragment 2: [4*]CC=C
### Response:
C=CCN/C(N)=[NH+]/CCCc1ccc(Cl)cc1Cl |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccccc1C#N
Fragment 2: [5*]Nc1cccc([N+](=O)[O-])c1C
### Response:
Cc1c(NCc2ccccc2C#N)cccc1[N+](=O)[O-] |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1
Fragment 2: [16*]c1ccc2ccccc2c1
### Response:
O=C(COc1ccc2ccccc2c1)N1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nccn1-c1ccc(NC(=O)C(=O)NC2CCCCC2)cn1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
C[C@@H](Oc1cccc2ccccc12)C(=O)NC[C@H](O)C[NH+](C)C
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C#CCOc1cccc(F)c1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCc1cccc(OC)c1
Fragment 2: [1*]C(=O)N[5*]
### Response:
COc1cccc(CNC(=O)[C@@]2(C)CCCN(C(=O)Nc3ccc(F)c(Cl)c3)C2)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccccc1C
Fragment 2: [1*]C(=O)N1CCC(O[3*])CC1
### Response:
CCOC(=O)[C@H]1CC[C@H](NC(=O)N2CCC(OCc3ccccc3C)CC2)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cnn(CCCCC[NH+]2CCN(c3ccc(O)cc3)CC2)c1
### Response:
5 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+](C)C1CCSCC1
Fragment 2: [4*]Cc1ccc(Cl)cc1
### Response:
C[NH+](Cc1ccc(Cl)cc1)C1CCSCC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COCCN(C[C@@H]1C=c2cc(C)ccc2=[NH+]C1=O)C(=O)C(C)C
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CC(=O)Oc1ccc(C(=O)/N=c2\sccn2Cc2ccccc2)cc1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1nc2CCCn2c1[C@H](NC(N[C@@H]1CCCC[C@H]1SCC)=O)C(C)C
### Response:
CCS[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](c1nnc2n1CCC2)C(C)C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccc(C)cc1
Fragment 2: [16*]c1ccccc1SC
### Response:
CSc1ccccc1-c1nnc(NC(=O)c2ccc(C)cc2)o1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(CCc1ccc(-c2ccccc2)o1)N1CCOc2ccccc2C1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@H]1CCO[C@@H]1C
Fragment 2: [5*]NC1(/C(N)=N/O)CCCCCCC1
### Response:
C[C@H]1OCC[C@@H]1C(=O)NC1(/C(N)=N/O)CCCCCCC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1ccco1
Fragment 2: [6*]C(=O)N1N=C(c2cccc([16*])c2)C[C@@H]1[13*]
### Response:
COc1ccccc1[C@H]1CC(c2cccc(NS(C)(=O)=O)c2)=NN1C(=O)c1ccco1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H]1([NH2+]C)[C@@H](CCOC2CCOCC2)CCC1
### Response:
C[NH2+][C@H]1CCC[C@@H]1CCOC1CCOCC1 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
COc1ccc([C@@H](O)[C@@]2(C)CCCO2)cc1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N(Cc1ccc(N2CCCC2)[nH+]c1)C(=O)N(C)CCc1ccc(cc1)F
### Response:
CN(CCc1ccc(F)cc1)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc([C@H]2CCCN2C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)c(OC)c1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1N(C[C@H](CC1)C)S(N[C@@H]1CCCN(C1)c1ccc(C#N)cc1F)(=O)=O
### Response:
C[C@H]1CCCN(S(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
COc1ccc(CN[C@H]2CCN(c3ccccc3)C2=O)cc1O
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cc(=O)n([9*])[nH]1
Fragment 2: [11*]SCC
### Response:
CCSCC[C@@H](C)N(C)C(=O)c1cc(=O)n(-c2ccc(C)cc2)[nH]1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc2nc(C[C@@H](O)C(F)(F)F)sc2c1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@@H]([8*])CC
Fragment 2: [5*]N(C)C[8*]
### Response:
CC[C@@H](NC(=O)N(C)Cc1ccc(-c2ccccc2)cc1)c1ccncc1 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
CCCCC(=O)NC1CCN(C(=O)C2CCCCC2)CC1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1nc2nc(C)c([16*])c(C)n2n1
Fragment 2: [5*]Nc1ccc2c(c1)OCO2
### Response:
COc1cc(OC)cc(-c2nc3nc(C)c(CCC(=O)Nc4ccc5c(c4)OCO5)c(C)n3n2)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(CN2CCC[NH+](Cc3ccc(OC)cc3)[C@H]2c2ccccc2)cc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
COC(=O)[C@H](C)Oc1ccc(Cl)cc1C
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Cc1nc([C@H]2CN(CCO2)C(C)C)ncc1[C@@H](C)[NH2+]CC
### Response:
CC[NH2+][C@H](C)c1cnc([C@H]2CN(C(C)C)CCO2)nc1C |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1ccccc1Cl
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1c2c(cc3c1[C@H](CC(=O)[C@]1(C)CCOC1=O)[N+](C)(C)CC3)OCO2
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C1N(c2c(cccc2)[C@H](C1)C(N1C[C@@H](C(OCC)=O)CCC1)=O)C
### Response:
CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(C)c3ccccc32)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@H]1(c2sccn2)CN(CCO1)C(Cc1cc(ccc1)OCC#N)=O
### Response:
N#CCOc1cccc(CC(=O)N2CCO[C@@H](c3nccs3)C2)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[nH]1nc(cc1)C(=O)N1CCC[C@H](n2cc(cn2)C(=O)OCC)C1
### Response:
CCOC(=O)c1cnn([C@H]2CCCN(C(=O)c3cc[nH]n3)C2)c1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
O=C1c2sccc2[C@@H](NC(=O)C(F)(F)F)[C@H]1Br
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
OCC1(C[NH2+][C@H](c2ccccc2)C2CCCC2)COC1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N#CCCN(C(=O)CSc1nccc(c1)C#N)c1cc(ccc1)Cl
### Response:
N#CCCN(C(=O)CSc1cc(C#N)ccn1)c1cccc(Cl)c1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C[C@H]1CCCC[C@@H]1OCC(=O)Nc1cccn(Cc2ccccc2)c1=O
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)c1nc(C[NH+]2CCC[C@H]2c2cccc3c2OCCO3)no1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH2+]Cc1cccc2c1OCCO2
Fragment 2: [4*][C@@H](C)c1ccc(C)o1
### Response:
Cc1ccc([C@H](C)[NH2+]Cc2cccc3c2OCCO3)o1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccncc1
Fragment 2: [5*]Nc1nc([14*])cs1
### Response:
C[C@H](CC(=O)Nc1nc(-c2ccncc2)cs1)c1ccccc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(CC(=O)Nc1ccc(cc1Cl)C)NC(c1c2[nH]ccc2ccc1)=O
### Response:
Cc1ccc(NC(=O)CCNC(=O)c2cccc3cc[nH]c23)c(Cl)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(Cc2n(-c3ccccc3)c3CC[NH+](C[C@@H](O)c4ccc(OC)cc4)Cc3[nH+]2)cccc1
### Response:
COc1ccc([C@H](O)C[NH+]2CCc3c([nH+]c(Cc4ccccc4)n3-c3ccccc3)C2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)c2ncccc2c1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1ccc2c(c1)-c1onc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c1CO2
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
CC(C)(C)[C@H](NC(=O)c1ccc(C#N)cn1)C(N)=O
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a halide group?
C[NH+]1CCC(NC(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])CC1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccc2c(c1)CCCN2[5*]
Fragment 2: [12*]S(C)(=O)=O
### Response:
CS(=O)(=O)N1CCCc2cc(C(=O)Nc3cc(F)cc(F)c3)ccc21 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c2c(N(C([C@@]23Nc2c(C(N3C)=O)c(ccc2)C)=O)CC)ccc1C
### Response:
CCN1C(=O)[C@@]2(Nc3cccc(C)c3C(=O)N2C)c2cc(C)ccc21 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
COc1ccc(NC(=S)NNC(=O)[C@@H]2CC=CCC2)cc1F
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)C[NH2+]C[C@@]1(c2ccccc2F)CC[C@H]1C
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(c1csc2c1CCCC2)N1CCO[C@H]2CCCC[C@H]21
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
N#Cc1cc(F)c(NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(F)c1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCC(=O)N[C@@H]1CCC[NH+](CCc2ccc(OC(F)(F)F)cc2)C1
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1cccc(-n2cnc3c2N=C(O)C[C@H]3c2ccc(F)cc2)c1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1nc[nH]n1
Fragment 2: [16*]c1ccccc1
### Response:
O=C(CC(c1ccccc1)c1ccccc1)Nc1nc[nH]n1 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
CC[C@@H](C)C[C@H](C)NC(=O)c1cc(=O)c2ccccc2o1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
CC(C)([NH2+]CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)C(=O)Nc1ccccc1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[NH+]1CCCN(CC2(CS)CCCC2)CC1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1cccs1
Fragment 2: [5*]N[C@H]([8*])C(C)(C)C
### Response:
CC(C)(C)[C@H](NC(=O)N(Cc1cccnc1)C[C@@H]1CCCO1)c1cccs1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1n[nH]c(SCCC(=O)N2CCCC2)n1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCNC(=O)C2)C1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C/[NH+]=C(/NCc1cc(C)on1)NCc1ccccc1-n1ccnc1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(NC[C@H]1CCCO1)c1nnn(-c2ccccc2)c1-c1ccccn1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1
Fragment 2: [5*]Nc1ccc(C)cc1
### Response:
Cc1ccc(NC(=O)[C@H]([NH2+]Cc2ccco2)c2ccccc2)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC1(C)CN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC[S@@]1=O
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CNC(=O)[C@H](C)C[NH+](C)Cc1ccccc1F
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
O[C@@H](c1ccc(Cl)s1)C1([NH+]2CCCC2)CCCC1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CC1CC[NH2+]CC1
Fragment 2: [4*]Cc1cc(CC)nn1C
### Response:
CCc1cc(C[NH+](CC2CC[NH2+]CC2)C(C)C)n(C)n1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*]C1CC1
Fragment 2: [1*]C(=O)CN[5*]
### Response:
Cc1ccc(C(=O)NCC(=O)N(C)C[C@H](O)C2CC2)cc1C |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1ccc2c(c1)c1ncn(Cc3nc(C)no3)c(=O)c1n2CC(=O)Nc1ccc(C)c(F)c1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CCC[C@@H](C)[C@@H]1NC(C[C@H](S(=O)(c1ccc2S[C@@H](C)C(=O)Nc2c1)=O)C)=O
### Response:
C[C@@H]1Sc2ccc(S(=O)(=O)[C@H](C)CC(=O)N[C@@H]3CCCC[C@H]3C)cc2NC1=O |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1nc([14*])no1
Fragment 2: [14*]c1ccco1
### Response:
CC(C)(NCc1nc(-c2ccco2)no1)c1nccs1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
C[C@@H](CC(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccccc1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]Oc1cc(C)ccc1Cl
Fragment 2: [16*]c1cc(C)ccc1Cl
### Response:
Cc1ccc(Cl)c(O[C@@H](C)C(=O)NN)c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(NCc1csc(C2CC2)n1)Nc1ccc(C(=O)N2CCCC2)cc1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C#CCNCC(=O)Nc1nc(CC)c(C)s1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
FC(F)SCc1ccc(CN2CCC[C@@H](c3nccs3)C2)o1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
NC(=O)c1ccccc1NC(=O)[C@@H]1N=NC=C1I
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccccc1
Fragment 2: [4*]C[C@H]1CN(C)CCO1
### Response:
CN1CCO[C@@H](CNc2ccccc2)C1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
COC(=O)[C@H](Cl)c1ccc(Cl)c(F)c1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[NH+](CC)C[C@H]1CCN(c2ncnc3ccc(F)cc23)C1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
S(=O)(=O)(c1ncn(c1)C)N1CCC(C(=O)NCc2ccc(cc2)OC)CC1
### Response:
COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cn(C)cn3)CC2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@]1(C[8*])CCCN([5*])C1
Fragment 2: [3*]OCC
### Response:
CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(C(=O)c2ccc3[nH]c(C)nc3c2)C1 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.