task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[NH+](=C(/N[C@H]1c2ccccc2OCC1)N)/CCCN1C[C@@H](C)O[C@@H](C1)C
### Response:
C[C@@H]1CN(CCC/[NH+]=C(/N)N[C@@H]2CCOc3ccccc32)C[C@@H](C)O1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@H](C)N(Cc1ccsc1)C(=O)c1ccnn1CC
### Response:
4 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCN(CCC)C(=O)c1ccc(Br)nc1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
S([N-]c1ccc2nc([C@@H]3OCCC3)[nH]c2c1)(=O)(=O)c1ccc(F)c(C(F)(F)F)c1
### Response:
O=S(=O)([N-]c1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccc(F)c(C(F)(F)F)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCS[C@H](C)C(=O)Nc1ccccc1C(F)(F)F
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12[nH]n(-c3nc(C)cc(n3)C)c(=O)c2c(cc(CCC)[nH]1)=O
### Response:
CCCc1cc(=O)c2c(=O)n(-c3nc(C)cc(C)n3)[nH]c2[nH]1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC(CN1C[C@@H](c2[nH]c(C)c([nH+]2)-c2ccc(cc2)OC)CC1=O)C
### Response:
COc1ccc(-c2[nH+]c([C@H]3CC(=O)N(CC(C)C)C3)[nH]c2C)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCCCC[C@@H]1[13*]
Fragment 2: [14*]c1ccco1
### Response:
N#Cc1ccc(CNC(=O)N2CCCCC[C@@H]2c2ccco2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+]1[C@@H](C)C[C@H]2CCCC[C@@H]21
Fragment 2: [4*]CCS(C)(=O)=O
### Response:
C[C@H]1C[C@H]2CCCC[C@@H]2[NH+]1CCS(C)(=O)=O |
functional_group | ### Instruction:
Does the molecule contain a ether group?
C[NH+](Cc1ccc(Cl)cc1)C1CCSCC1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1nc(C[NH+]2CCC[C@H]2[C@@H]2CCCCC2=O)cs1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
O=S(=O)(c1ccc(NC(=S)N/N=C/c2ccccc2O)cc1)N1CCOCC1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)N(CC(=O)[O-])C(=O)[C@H]1C=C[C@@H]([NH3+])C1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(ncc(C(=O)N[C@H](C)c2cccc(C#N)c2)s1)-c1ccccc1F
### Response:
C[C@@H](NC(=O)c1cnc(-c2ccccc2F)s1)c1cccc(C#N)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(N[C@@H]1CCSc2ccccc21)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(C)nn(c(C)c1NC(C)=O)[C@H](C)C(=O)[O-]
### Response:
CC(=O)Nc1c(C)nn([C@H](C)C(=O)[O-])c1C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+]1CCC([15*])CC1
Fragment 2: [5*]Nc1cc(OC)cc(OC)c1
### Response:
COc1cc(NC2CC[NH+]([C@H](C)C(=O)NC3CCCC3)CC2)cc(OC)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOc1ccc(CCC(=O)Nc2ccccc2C)cc1OC
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C1N(Cc2cccc(F)c2)c2ccccc2[C@]1(O)c1cccc(F)c1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Nc1nc(NCCc2cc(F)cc3c2OCOC3)[nH+]c2ccccc12
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1(CCCCC[NH+](C2CCS(=O)CC2)C)cc(cn1)C
### Response:
Cc1cnn(CCCCC[NH+](C)C2CCS(=O)CC2)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12n(cc(cc2)C)c(C(=O)NCc2nc(cs2)-c2ccncc2)cn1
### Response:
Cc1ccc2ncc(C(=O)NCc3nc(-c4ccncc4)cs3)n2c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(OCCn2c([C@H](NC(=O)c3occc3)C)nc3c2cccc3)ccc(cc1)C
### Response:
Cc1ccc(OCCn2c([C@@H](C)NC(=O)c3ccco3)nc3ccccc32)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(c(C(=O)Nc2cnc(-n3cccn3)cc2)cc2ccccc2o1)=O
### Response:
O=C(Nc1ccc(-n2cccn2)nc1)c1cc2ccccc2oc1=O |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(=O)(NCCc1nc(-c2ccccc2)oc1)Nc1cccc(c1)OC
### Response:
COc1cccc(NC(=O)NCCc2coc(-c3ccccc3)n2)c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(=O)N(c1ccccc1)c1nc(-c2nc3cc(Cl)ccc3n2C)cs1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cn(-c2ccccc2Cl)nc1NC(=O)c1cnn(C(C)(C)C)c1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1N2[C@H](C=C1c1ccc(cc1)CC)C(=O)N=N[C@H]2SCC(C)C
### Response:
CCc1ccc(C2=C[C@@H]3C(=O)N=N[C@@H](SCC(C)C)N3N2)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c([C@@H]2CC(Nc3n(C)c(=O)n(C)c(=O)c23)=O)cc(OC)c(c1OC)O
### Response:
COc1cc([C@@H]2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1O |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCC(C)CC1
Fragment 2: [16*]c1ccc(Br)nc1
### Response:
CC1CCN(c2ccc(Br)nc2)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1(-c2cccc([C@H](NC(N3CCN(C(=O)CC)CCC3)=O)C)c2)cncc1
### Response:
CCC(=O)N1CCCN(C(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]C[C@H]1CCCc2ccccc21
Fragment 2: [5*]Nc1cnn(C)c(=O)c1Cl
### Response:
Cn1ncc(NC[C@H]2CCCc3ccccc32)c(Cl)c1=O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)NC(=O)Nc1ccc([N+](=O)[O-])cc1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCc1ccsc1-c1nnc([S-])[nH]1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
COc1cccc(C(=O)N2CCC(C(=O)c3ccc(C)cc3)CC2)c1F
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[N+]1(C[C@@H](O)CO[C@@H]2C[C@H](C)CC(C)(C)C2)CCOCC1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c2CCCc2ccc1S(=O)(=O)N1CCC(C(N2CCCC[C@H]2CC)=O)CC1
### Response:
CC[C@@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nc2n(n1)[C@@H](c1ccc([N+](=O)[O-])o1)CC(C(=O)[O-])=N2
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1=CN=[NH+][C@@H]1c1cc(ccc1)-c1cc(nc(-c2c(O)cccc2)n1)C
### Response:
Cc1cc(-c2cccc([C@@H]3C=CN=[NH+]3)c2)nc(-c2ccccc2O)n1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(Nc1cc2oc(C3CC3)nc2cc1)N[C@H](C)C(C)C
### Response:
CC(C)[C@@H](C)NC(=O)Nc1ccc2nc(C3CC3)oc2c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccsc1/C=C1\Oc2cc(OCC(N)=O)ccc2C1=O
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(=O)Nc1nc2c(s1)CN(CC(=O)Nc1ccc(C(C)=O)cc1)CC2
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@@H]([8*])c1ccccc1
Fragment 2: [1*]C(=O)c1ccccc1
### Response:
Cc1ccc([C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC(Cc2ccccc2)CC1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C1CCCC1
Fragment 2: [14*]c1ccc(I)c(C)[nH+]1
### Response:
Cc1[nH+]c(N[C@H]2CCN(C(=O)C3CCCC3)C2)ccc1I |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)C[C@@H](C(=O)N[C@H]1CC(=O)N(C2CC2)C1)N1CCCCC1=O
### Response:
5 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)(C(=O)N1CCOCC1)c1cccc(Cl)c1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cc([C@@H](O)CCNC(=O)c2ccccc2Br)c(C)o1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CN(C)S(=O)(=O)N1CCN(Cc2oc(CO)cc(=O)c2O)CC1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*][C@H]1CCO[C@@H]1C
Fragment 2: [1*]C(=O)N[C@@H]1CCCc2ccc(F)cc21
### Response:
C[C@H]1OCC[C@@H]1NC(=O)N[C@@H]1CCCc2ccc(F)cc21 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1nc2ccccc2[nH]1
Fragment 2: [5*]N1CCOCC1
### Response:
CC(C)[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1nc2ccccc2[nH]1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cc(OC)c(OC)cc1CNC(=O)C[NH+]1[C@@H](C)CCC[C@@H]1C
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(ccc1[C@@H](C)NC(c1[nH]ccc1)=O)SCCOC
### Response:
COCCSc1ccc([C@@H](C)NC(=O)c2ccc[nH]2)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@H]1C[NH+]=C(N2CCN(C(=O)c3cnn(C4CCCCC4)c3)CC2)S1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cc(C)c(C)o1
Fragment 2: [3*]OC(C)(C)C
### Response:
Cc1cc(C(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)oc1C |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1c([C@H](O)Cc2nc3ccccc3s2)c(C)nn1C
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCC2(CC1)OCCO2
Fragment 2: [1*]C(=O)[C@H]1CC(=O)N([10*])C1
### Response:
O=C([C@H]1CC(=O)N(C2CCCCCCC2)C1)N1CCC2(CC1)OCCO2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN(CC)c1ccc(N/C(C)=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(Cn1ncc(NC(C[C@@H](c2cccs2)NC(N)=O)=O)c1)(C)C
### Response:
CC(C)Cn1cc(NC(=O)C[C@H](NC(N)=O)c2cccs2)cn1 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
OC[C@@H]1CCO[C@H]1c1ccc(OC(F)(F)F)cc1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12ccccc2ccc2c1OCCC[C@@H]2NC(c1cc(no1)C)=O
### Response:
Cc1cc(C(=O)N[C@H]2CCCOc3c2ccc2ccccc32)on1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CCC(CCC1)(C#N)NC(C[NH+]([C@@H]1CCCc2ccccc12)C)=O
### Response:
C[NH+](CC(=O)NC1(C#N)CCCCCC1)[C@@H]1CCCc2ccccc21 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)OC[C@H](O)C[NH+]1CCC[C@H](C(F)(F)F)C1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1cc(S([12*])(=O)=O)cc1[14*]
Fragment 2: [5*]Nc1ccc(C)c(C)c1
### Response:
Cc1csc(-c2cc(S(=O)(=O)Nc3ccc(C)c(C)c3)cn2CC(=O)N2CCOCC2)n1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCn1cc[nH+]c1CN1CCN(C(=O)c2ccc(-c3cnco3)cc2)C[C@H]1C
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCC[C@@H]1CN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)CCO1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCCCC(C)(C)CNc1cccc[nH+]1
### Response:
7 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[C@@H]1CN([C@@H]2CCC[C@@](CO)([NH2+]C)C2)CCO1
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
CC(C)[C@@H](NC(=O)C[C@@H](C)c1ccc(F)cc1)C(=O)N1CCOCC1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)C(=O)N1CCOCC1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(CSc2nc(C)n[nH]2)cc1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(=O)c1sc2ccc(NC(=O)Nc3ccccc3Cl)cc2c1OC
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(N3CCCCC3=O)cc2)C1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(Cl)c(NC(=O)COC(=O)c2cnc(Cl)c(Cl)c2)c1Cl
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1nccs1
Fragment 2: [1*]C(=O)c1ccc([16*])c(OC)c1
### Response:
COc1cc(C(=O)Nc2nccs2)ccc1OCCC(C)C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc([C@@H](c2c(C)c3cc(ccc3o2)F)[NH3+])ccc1Br
### Response:
Cc1c([C@@H]([NH3+])c2ccc(Br)cc2)oc2ccc(F)cc12 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2Cl)s1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c([C@@H]2CN(Cc3oc(C)nn3)CCC2)nc(nc1)COC
### Response:
COCc1nccc([C@H]2CCCN(Cc3nnc(C)o3)C2)n1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
Cc1cc2c(c(=O)n1CC[NH+](C)C)[C@@]1(C(=O)N(CC(C)C)c3ccccc31)C(C#N)=C(N)O2
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCN(CCc1nccs1)C(=O)Nc1cncc2ccccc12
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1c2n(nc(C)c2-c2ccccc2)c(cc1C(C)(C)C)-n1ncc(C(OCC)=O)c1N
### Response:
CCOC(=O)c1cnn(-c2cc(C(C)(C)C)nc3c(-c4ccccc4)c(C)nn23)c1N |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(CCCn1cncn1)N1CCC[C@@H](N2CCNC2=O)C1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1c(CC)cccc1CC
Fragment 2: [5*]N1/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@@H]21
### Response:
CCc1cccc(CC)c1N1/C(=N/C(=O)CCCC(=O)[O-])S[C@@H]2CS(=O)(=O)C[C@@H]21 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]Oc1ccc(C=O)cc1[N+](=O)[O-]
Fragment 2: [4*]Cc1ccon1
### Response:
O=Cc1ccc(OCc2ccon2)c([N+](=O)[O-])c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCCC1CCC(C(=O)Nc2c3c(nn2-c2ccc(OC)cc2)C[S@](=O)C3)CC1
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccc(C[4*])cc1
Fragment 2: [5*]N1CCc2ccccc2C1
### Response:
CC(=O)Nc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[NH+](CC1CC([O-])C1)[C@@H]1CCOC2(CCCCC2)C1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(=O)(Cc1nc(sc1)C)O[C@H](C)C(Nc1cc(C(F)(F)F)ccc1)=O
### Response:
Cc1nc(CC(=O)O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)cs1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]C[C@@H](O)C[8*]
Fragment 2: [9*]n1ccc2ccccc21
### Response:
Oc1ccccc1NC[C@@H](O)Cn1ccc2ccccc21 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1nc([14*])c(C)o1
Fragment 2: [1*]C(=O)c1ccc([S@@](C)=O)cc1
### Response:
Cc1oc(-c2ccccc2)nc1CCNC(=O)c1ccc([S@@](C)=O)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]C(CCC)CCC
Fragment 2: [14*]c1ccccn1
### Response:
CCCC(CCC)c1ccccn1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(cc(OC)cc1)NC(N(C1CCCN=1)c1cc(C)cc(c1)C)=O
### Response:
COc1cccc(NC(=O)N(C2=NCCC2)c2cc(C)cc(C)c2)c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
OCC[C@@H]([NH2+][C@H]1CCCc2ccc(Cl)cc21)C1CC1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COCC[C@](C)(O)C1(C[NH3+])CCC(C)(C)CC1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1nnc(N)s1
Fragment 2: [4*]CCN[5*]
### Response:
Nc1nnc(CC(=O)NCCN2CCCc3ccccc32)s1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=c1c(c(C)nc(CCl)[nH]1)F
### Response:
Cc1nc(CCl)[nH]c(=O)c1F |
functional_group | ### Instruction:
Does the molecule contain a amine group?
COc1cc([C@@H]2C3=C(COC3=O)Nc3[nH]nc(C)c32)ccc1OCc1ccccc1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@@H](C)c1ccc(C)c(F)c1
Fragment 2: [4*]C[C@H]1CCCN1[5*]
### Response:
Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1F |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=C(Nc1ccnn1Cc1cccs1)C1=NN(c2ccccc2)C(=O)CC1
### Response:
Yes |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.