task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cccc(C(N)=O)c1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(c1ccccc1)n1c2CCN(Cc2c(C(N2CCNC(C2)=O)=O)n1)C(=O)[C@@H]1C2(C1)CCCCC2
### Response:
O=C1CN(C(=O)c2nn(Cc3ccccc3)c3c2CN(C(=O)[C@H]2CC24CCCCC4)CC3)CCN1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CN(C)C(=O)CCNS(=O)(=O)/C=C/c1ccccc1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(NC(=S)N(Cc2ccc(F)cc2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)c(C)c1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
C[C@H](NC(=O)N[C@@H]1CCC[C@@H]1CO)c1ccc(-c2cncnc2)cc1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCc1ccc(NC(=O)NCC(=O)Nc2ccc(OC)cc2)cc1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(cc(OC)c(c1)OC)-c1nnc2n1nc(s2)NC(COc1cc(cc(c1)C)C)=O
### Response:
COc1ccc(-c2nnc3sc(NC(=O)COc4cc(C)cc(C)c4)nn23)cc1OC |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(CC(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(SC)cc2)cc1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCCN(C)C(=O)[C@@H]1CCCCN1C(=O)c1ccccc1
### Response:
4 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@H](C)(Cc1cccs1)NC(=O)Nc1sc(nn1)C(C)(C)C
### Response:
C[C@@H](Cc1cccs1)NC(=O)Nc1nnc(C(C)(C)C)s1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CNC(=O)c1ccc(OS(=O)(=O)/C=C/c2ccccc2)cc1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CS(=O)(=O)[N-]c1ccccc1NC(=O)C[C@H](O)c1ccccc1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1cccc(CC(=O)NCc2cc(-c3ccccn3)n(C)n2)c1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)(C)[S@](=O)CCNC(=O)c1cccc(F)c1Cl
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(Cl)c(OC)c(OC)cc1C(N(Cc1ccccc1Br)C)=O
### Response:
COc1cc(C(=O)N(C)Cc2ccccc2Br)cc(Cl)c1OC |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(=O)[C@H]1CCN(C(=O)N[C@H](C(=O)[O-])C2CC2)C1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccc2c(c1)OCCO2
Fragment 2: [5*]N([5*])c1nc2cc(OC)ccc2s1
### Response:
COc1ccc2sc(N(C[C@H]3CCCO3)C(=O)c3ccc4c(c3)OCCO4)nc2c1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
Cc1nc(C2CCN(S(C)(=O)=O)CC2)c2cccnc2n1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][N-]S(C)(=O)=O
Fragment 2: [16*]c1ccccc1Cl
### Response:
Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)cc1[N-]S(C)(=O)=O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nn(-c2ccccc2)c2[nH]cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c(=O)c12
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCC[8*]
Fragment 2: [1*]C(=O)c1cc(C#N)cn1C
### Response:
Cn1cc(C#N)cc1C(=O)NCC[C@@H]1C[C@H]2CC[C@@H]1C2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CNc1ncc(S(C)(=O)=O)c([C@H]2CCC[NH2+]C2)n1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CCCC[C@@H]([NH2+]C(C)C)[C@@H]1CCO[C@]2(CCSC2)C1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1F
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Clc1ccnc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CC([6*])=O
Fragment 2: [16*]c1ccc2c(=O)c(Cl)coc2c1C
### Response:
Cc1c(OCC(=O)c2ccc(Br)cc2)ccc2c(=O)c(Cl)coc12 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(Cc1cccs1)N[C@@H](c1ccc(Cl)cc1)C1CC1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1[N+](=O)[O-]
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(NCc1cccc(OCc2ccccn2)c1)c1nc2cccnc2nc1[O-]
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1nnc2n1CCC2
Fragment 2: [4*][C@@H]([8*])C(C)C
### Response:
CCn1nc(C)c(NC(=O)N[C@@H](c2nnc3n2CCC3)C(C)C)c1C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(N(C)C(=O)[C@@H](Sc2c3c(cccc3)nc(C(F)(F)F)n2)C)ccc1
### Response:
C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)N(C)c1ccccc1 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
CCOc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3OC1)C2=O
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)o1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccc(NC(=O)c2cccn(Cc3ccccc3F)c2=O)c1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1O)N2
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)CCC(F)(F)F
Fragment 2: [5*]NCCC[8*]
### Response:
O=C(CCC(F)(F)F)NCCCn1nc2ccccn2c1=O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](CCCO)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1
### Response:
5 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]C(C)(C)C
Fragment 2: [14*]c1nc[nH]n1
### Response:
CC(C)(C)c1nn(-c2ccccc2)cc1C[NH+]1CCC(c2nc[nH]n2)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1nc(sc1[C@H](C)N[C@H]1C[NH+]([C@H](C1)C)C1CC1)C
### Response:
Cc1ncc([C@H](C)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)s1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CNC(=O)[C@H](C)CN(C)C(=O)[C@H]1CCN(c2ccc(C)cc2)C1=O
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
C[C@@](O)(CN[C@H](Cc1ccncc1)C(F)(F)F)c1ccc(F)cc1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(CC/N=C2/C3[C@@H](NC(N)=N2)N=CN=3)ccc(cc1Cl)Cl
### Response:
NC1=N/C(=N\CCc2ccc(Cl)cc2Cl)C2=NC=N[C@@H]2N1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCc1cc2c3c(c1)[C@@]1(NCCC4=c5ccccc5=[NH+][C@@H]41)C(=O)N3C(C)(C)C[C@@H]2C
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C[C@H]1Oc2c(N(C(c3cocc3)=O)C1)cc(C)cc2
### Response:
Cc1ccc2c(c1)N(C(=O)c1ccoc1)C[C@@H](C)O2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cn1c(CC(=O)NNC(=O)CCS(=O)(=O)c2ccccc2)nc2ccccc21
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
Cc1cc(N[C@H](C)C[NH+]2CCCCC2)[nH+]cc1N
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1c([14*])nn(C)c1=O
Fragment 2: [5*][NH+]1CCC[C@H]([15*])C1
### Response:
Cn1nc([C@H]2CCC[NH+](Cc3cnc(N)nc3)C2)n(-c2ccccc2)c1=O |
functional_group | ### Instruction:
Does the molecule contain a amine group?
CCc1ccsc1-c1nnc2ccc(N)cn12
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
C[C@@H](O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(C#N)c(Cl)c1
Fragment 2: [5*]N1CCN([5*])CC1
### Response:
COc1ccc(CCC(=O)N2CCN(c3ccc(C#N)c(Cl)c3)CC2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
COc1ccc(C[C@H](C)CN(C)C(=O)Nc2ccc(C)s2)cc1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]CCN1C(=O)c2cccc3cccc1c23
Fragment 2: [15*][C@@H]1CCC[C@@H]1[NH3+]
### Response:
[NH3+][C@H]1CCC[C@H]1CCN1C(=O)c2cccc3cccc1c23 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nc(NC(=O)c2nn(-c3ccc(Cl)cc3)ccc2=O)sc1C(=O)OCC(C)C
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(F)cn2nc(nc2cc1)NCC[C@H]1CCC[C@@H](C1)C
### Response:
C[C@H]1CCC[C@H](CCNc2nc3ccc(F)cn3n2)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(C)cc1
Fragment 2: [6*]C(=O)N/N=C\c1cc2ccccc2nc1Cl
### Response:
Cc1ccc(C(=O)N/N=C\c2cc3ccccc3nc2Cl)cc1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N(C)Cc4ccccc4)c3n2)cc1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](O)CCC(=O)Nc1ccc(Br)cc1[N+](=O)[O-]
### Response:
5 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(SCCN2CCOC2=O)n(c(=O)c2c(sc3c2CC[C@@H](C3)C)n1)C[C@H]1CCCO1
### Response:
C[C@H]1CCc2c(sc3nc(SCCN4CCOC4=O)n(C[C@H]4CCCO4)c(=O)c23)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1ccc([14*])nn1
Fragment 2: [9*]n1nc(C)cc1C
### Response:
Cc1cc(C)n(-c2ccc(N3CCC[C@@H](C)C3)nn2)n1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH2+]CC[8*]
Fragment 2: [9*]n1cc(C)cn1
### Response:
CC[C@@H]([NH2+]CCn1cc(C)cn1)c1cccc(Cl)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Nn1c(SCc2ccc(F)cc2)nnc1-c1ccccn1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2ccc3c(c2)OCCO3)cc1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C[C@@H]1C[NH+](Cc2cn(CC[NH3+])nn2)C[C@H]1C
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(Cn1nnc2ccccc2c1=O)Nc1nc2cc3c(cc2s1)OCCO3
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cn1ccc(Nc2[nH+]ccc(C(=O)[O-])c2N)n1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*][C@@H]1CCc2ccc(OC)cc2[C@H]1NCC
Fragment 2: [5*][NH+](CC)CC
### Response:
CCN[C@@H]1c2cc(OC)ccc2CC[C@H]1[NH+](CC)CC |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1C(N2C[C@@H](CC2=O)C(=O)N2C[C@H](OCC2)c2nc(CCC)n[nH]2)C1
### Response:
CCCc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3CC(=O)N(C4CC4)C3)CCO2)n1 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
CC[C@@H](NC(=O)C=C1CCCCC1)c1ccccc1OCC(=O)N1CCCC1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CN(Cc1ccc(Cl)c(F)c1)Cc1cnc2cnccn12
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cccc(OC)c1F
Fragment 2: [5*]N[C@@H]1CCCN([5*])C1
### Response:
COc1cccc(C(=O)N[C@@H]2CCCN(c3ccc(F)cc3C)C2)c1F |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O1[C@@H](CN(Cc2ccccc2NC(N(CC)CCC#N)=O)C[C@@H]1C)C
### Response:
CCN(CCC#N)C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
Cc1cc([C@@H](C[NH3+])NC[C@@]2(C)CCCO2)c(C)s1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cccc(CCC(=O)OCc2nnc(-c3ccccc3Cl)o2)c1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C[C@@]1(c2ccc(C[NH3+])cc2)NC(=O)NC1=O
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
Cc1ccc2c(=O)cc([O-])oc2c1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H]1CC(C(=O)NCc2ncnn2C)C[C@H](C)O1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)C[NH+]1CCN(C(=O)CC[C@@H]2NC(=O)NC2=O)CC1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CS[C@@H]1C[C@H](NC(=O)C(Nc2cc(ccc2OC)F)=O)CC1
### Response:
COc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CC[C@H](SC)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc(S[11*])cc1
Fragment 2: [4*]Cc1cc(=O)n2oc(C)cc2n1
### Response:
Cc1cc(C)cc(OCC(=O)Nc2ccc(SCc3cc(=O)n4oc(C)cc4n3)cc2)c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
c1coc(CN2CCO[C@H](c3ccco3)C2)c1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
C[C@@H](O)CCC(=O)Nc1cc2[nH]c(=O)[nH]c2cc1Br
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCn1cnnc1CNC(=O)c1cccc(F)c1Cl
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cncc(c1)OCCCC(Nc1ccc(-c2nc(cs2)C)cc1)=O
### Response:
Cc1csc(-c2ccc(NC(=O)CCCOc3cccnc3)cc2)n1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc([C@@H](C)N(C(NC[C@H](N2CCOCC2)c2ccccc2)=O)C)cc1O
### Response:
C[C@H](c1cccc(O)c1)N(C)C(=O)NC[C@@H](c1ccccc1)N1CCOCC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc2c(c1)[C@@H]([NH2+]CC(C)C)CCC2
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(Br)cc([N+](=O)[O-])c1O[C@@H]1C[C@H]([NH3+])C12CCCC2
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CCOCCOC(=O)Nc1c(C)cccc1CC
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(N[C@H]1C=C[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1Cl
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N(CCn1c([nH]nc1C1CC1)=S)C(=O)Nc1c(COC)cccc1
### Response:
COCc1ccccc1NC(=O)NCCn1c(C2CC2)n[nH]c1=S |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC1(C)CCCC[C@]1(O)[C@H]1[NH2+]Cc2ccccc21
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(CCC(Nc1cc(N2CCOC2=O)ccc1C)=O)(C)C
### Response:
Cc1ccc(N2CCOC2=O)cc1NC(=O)CCC(C)C |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCO[C@@H](CC)C(=O)Nc1cnc(-c2ccccc2)s1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]C1([13*])Oc2ccccc2O1
Fragment 2: [5*]Nc1ccc([16*])cc1
### Response:
CC(=O)c1ccc(NC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
O=C(NCc1ccc2c(c1)OCO2)C1CCN(C(=O)Nc2cccs2)CC1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=S(=O)(N1CCN(c2c(C)c(ccc2)C)CC1)c1c(Cl)cc2c(c1)[nH]c([nH]2)=O
### Response:
Cc1cccc(N2CCN(S(=O)(=O)c3cc4[nH]c(=O)[nH]c4cc3Cl)CC2)c1C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1nccc(N)n1
Fragment 2: [5*]N([5*])C1CC1
### Response:
Nc1ccnc(CN(Cc2ccncc2)C2CC2)n1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC[C@@H](C(Nc1ccc(cc1)S(N)(=O)=O)=O)Sc1cc(-c2ccccc2)ncn1
### Response:
CC[C@H](Sc1cc(-c2ccccc2)ncn1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]Cc1cnn([9*])n1
Fragment 2: [6*]C(N)=O
### Response:
NC(=O)c1cn(Cc2cnn(-c3ccccc3)n2)c(C2CC2)n1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN(C(=O)[C@@H]1CSCN1C(=O)c1cc(C#N)cn1C)C1CC1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C1=NC2=NC=N[C@@H]2C(N[C@H](CCn2cc[nH+]c2)c2ccccc2)=N1
### Response:
2 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.