task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCC/C=N/NC(=O)c1ccc(Cl)cc1Cl
### Response:
5 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)[C@H]1CC(=O)N(c2ccccc2)C1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(C(c1ccccc1)c1ccccc1)n1cnc2ccccc21
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CN(C)C(=S)SCC(N)=O
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a ester group?
O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)Nc1cccc(N2CCCC2=O)c1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc2c(c1)c(C)c(C(=O)N1CCCC[C@@H]1C[NH+](C)C)n2C
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
Cc1cc(CN2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)on1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
CCOc1ccc([C@@H]2Nc3ccc(C(=O)N(C)C)cc3[C@H]3C=CC[C@H]32)cc1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCc1nc(N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)c2c(n1)c(C)nn2C
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CN(CC[NH+](C1)CC(N)=O)C(Nc1ccc(Cl)cc1)=O
### Response:
NC(=O)C[NH+]1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [12*]S(C)(=O)=O
Fragment 2: [1*]C(=O)c1ccc(N)nc1
### Response:
CS(=O)(=O)N1C[C@H](NC(=O)c2ccc(N)nc2)[C@@H](C2CC2)C1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
COc1cccc(CN2CCN(C(=O)[C@H]3C[C@H]3C)CC2)c1OC(F)F
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
CS(=O)(=O)[N-]c1ccc(C2=NN/C(=N\c3ccccc3)SC2)cc1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[NH2+]Cc1ccc(O[C@H](C)c2ccccc2)cc1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc2c(c1)OCCO2
Fragment 2: [1*]C(=O)[C@H]([4*])C
### Response:
CC[C@@H](C)NC(=O)[C@@H](C)Sc1ncc(-c2ccc3c(c2)OCCO3)n1CC |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COC(=O)[C@@H]1CCN(C(=O)c2cnn(CCC(C)C)c2C)c2ccccc21
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccc(CN(Cc2ccccn2)Cc2ccnn2C)c1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cn1c(SCC(=O)Nc2sccc2C(N)=O)nnc1C1CC1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N#Cc1c[nH]nc1[N-]S(=O)(=O)c1cn(CC)c[nH+]1
### Response:
CCn1c[nH+]c(S(=O)(=O)[N-]c2n[nH]cc2C#N)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12c(c(C)sc1nc(n(c2=O)CCCC)SCC(NCC#C)=O)C
### Response:
C#CCNC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1CCCC |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@@H](C)COC
Fragment 2: [4*]Cc1ccccc1
### Response:
COC[C@H](C)C(=O)NC[C@H]1C[C@H](O)C[NH+]1Cc1ccccc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(Oc1ccc(N2CCCC2=O)cc1)c1ccn(-c2ccccc2)n1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NC[C@@H]1COc2ccccc2O1
Fragment 2: [3*]Oc1ccc(I)cc1
### Response:
O=C(COc1ccc(I)cc1)NC[C@@H]1COc2ccccc2O1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1C(C(Nc2c(Cl)cc(C)cc2)=O)=NO[C@H]1c1ccccc1
### Response:
Cc1ccc(NC(=O)C2=NO[C@@H](c3ccccc3)C2)c(Cl)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1N(CCOC1)C[C@@H]1CCCCN1C(=O)NC1CC[NH+](CC1)CC(C)C
### Response:
CC(C)C[NH+]1CCC(NC(=O)N2CCCC[C@H]2CN2CCOCC2)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)[C@H](N[C@H](C)C(=O)NCc1cccs1)c1ccc(Cl)cc1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(OC)c2sc(NC(=O)c3cc4cccc(OC)c4o3)nc12
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(C[NH2+][C@H]2CCCS[C@@H]2C)cn1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccc2c(=O)n([9*])c3nn(C[8*])c(=O)n3c2c1
Fragment 2: [8*]Cc1c(F)cccc1Cl
### Response:
CC[C@@H](C)NC(=O)c1ccc2c(=O)n(C(C)C)c3nn(Cc4c(F)cccc4Cl)c(=O)n3c2c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H](C(=O)NCc1ccc(Cl)cc1)[S@@](=O)Cc1ccc(F)cc1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nc(C2CCN(C(=O)N[C@@H]3CCc4ccccc4C3)CC2)no1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(=O)N(C)c1ccc(NCc2cccc3[nH]ccc23)cc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccc2c(c1)COC2
Fragment 2: [5*]Nc1ccc([16*])cc1
### Response:
CCN(CC)c1ccc(NC(=O)c2ccc3c(c2)COC3)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1nc(CNC(=O)[C@@H](C)CCc2ccccc2F)cs1
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(OC)c(OC)c1
Fragment 2: [1*]C(=O)N1CCC[C@@H]1[13*]
### Response:
COc1ccc([C@H]2CCCN2C(=O)Nc2ccc3c(c2)CCO3)cc1OC |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
Cn1ccnc1CN1CCCN(C(=O)c2cccs2)CC1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(cccc(c1C)NS(c1cc(C(F)(F)F)c(cc1)F)(=O)=O)C
### Response:
Cc1cccc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(Cl)cc1[16*]
Fragment 2: [4*]CC1(CC)CC1
### Response:
CCC1(CNC(=O)Nc2cc(Cl)ccc2N2CCOCC2)CC1 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
CCc1ccc([C@@H]2CCCCCN2C(=O)Nc2cnn(C(C)(C)C)c2)o1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]CN1C(=O)[C@@H](CC)S/C1=N\N=C/c1ccco1
Fragment 2: [8*]Cc1ccccc1
### Response:
CC[C@H]1S/C(=N\N=C/c2ccco2)N(Cc2ccccc2)C1=O |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(-c2oc(nc2)CCCC(=O)OCC#C)ccc1
### Response:
C#CCOC(=O)CCCc1ncc(-c2ccccc2)o1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(=O)(Nc1ccc(F)c(c1)NC(C)=O)c1ccc2[nH]cnc2c1
### Response:
CC(=O)Nc1cc(NC(=O)c2ccc3[nH]cnc3c2)ccc1F |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1n(nc(c1CNCc1ccccc1-n1cncc1)-c1cccnc1)C
### Response:
Cn1cc(CNCc2ccccc2-n2ccnc2)c(-c2cccnc2)n1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(NC(=O)C[C@H](C)[NH2+]C2CCC(O)CC2)cc1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1C(N)=O
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cccc([C@H](CNC(=O)N[C@H]2CCC[C@]2(C)CO)[NH+]2CCCC2)c1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(c1cccnc1)N1CCN(Cc2ccon2)CC1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(=O)CS[C@@H](Cl)C(F)(F)F
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
c1csc([C@@H]2CN(Cc3cnc(C4CCC4)s3)CCO2)c1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CS[C@@H]1CC[C@@H](NC(=O)NCc2ccc3ccccc3c2)C1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N([5*])Cc1ccco1
Fragment 2: [4*]Cc1ccccc1
### Response:
CCc1ccsc1C(=O)N(Cc1ccccc1)Cc1ccco1 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
CC(C)[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccn1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC[C@@H](C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCc1ccc(C)cc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
Fc1ccc(C[NH2+]Cc2cc(Br)c3c(c2)OCO3)cc1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc2c(n(cc2)CC)cc1NC(=O)C(N1CCOCC1)=O
### Response:
CCn1ccc2ccc(NC(=O)C(=O)N3CCOCC3)cc21 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(=O)c1cccc(NC(=O)C2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)c1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Cc1c(NC(=O)C)cccc1NC(=O)N(C)[C@@H]1CCC[C@H](C1)C
### Response:
CC(=O)Nc1cccc(NC(=O)N(C)[C@@H]2CCC[C@@H](C)C2)c1C |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCC1(CC)CCN(c2cc[nH+]c(C[NH2+]C)c2)C1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@@H](NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1ccc(Br)cc1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCc1ccccc1CNC(=O)CCc1nnc(-c2ccc(Cl)cc2)o1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
CCn1nc(C)c(CNC(=O)c2nn(CC)c3ccc(Cl)cc3c2=O)c1C
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(OCC)c1nc(oc1)NC(NCCOC)=O
### Response:
CCOC(=O)c1coc(NC(=O)NCCOC)n1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
C[C@@H](c1ccco1)N(C(=O)Nc1c(F)cc(F)cc1F)C1CC1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[NH+](Cc1cc2ccccc2nc1N)CC(C)(C)O
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
COc1ccc(N2CC[NH+]([C@@H]3CCCN(C(=O)c4ccc5cc[nH]c5c4)C3)CC2)cc1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
COC(=O)c1cccc(-c2cnc(Cl)cc2C(=O)[O-])c1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1nnc(-c2ccccc2/C=C/c2ccccc2)o1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCC[C@H](C(=O)[O-])c1ccccn1
### Response:
6 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N([C@H](C)c1cc(C)oc1C)C(=O)N(C1CC1)Cc1cccc(F)c1
### Response:
Cc1cc([C@@H](C)NC(=O)N(Cc2cccc(F)c2)C2CC2)c(C)o1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
O=C(Nc1nc2c(s1)Cc1ccccc1-2)c1cccc(NS(=O)(=O)c2ccccc2)c1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(Nc1nc[nH]n1)c1ccccc1-c1ccc(C(F)(F)F)cc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CC[C@H]2CC[C@@H](C1)[NH+]2C
Fragment 2: [5*]NCC
### Response:
CCNc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)ccn1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)Nc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(NC(=O)CSCC(=O)N2CCN(c3ccccc3Cl)CC2)no1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
Cc1cccc(Cn2nccc2NS(=O)(=O)c2ccc(C#N)cc2C)c1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc([C@@H](O)C2CCN(C(CCC(N3CCOCC3)=O)=O)CC2)cc1
### Response:
O=C(CCC(=O)N1CCC([C@H](O)c2ccccc2)CC1)N1CCOCC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cc(C(=O)Nc2nnc(-c3cccc(Br)c3)o2)cc(OC)c1OC
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(C)c2c(C)c(C(=O)N[C@H]3CC[C@@H]([NH+](C)C)C3)oc12
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[NH+]1CC[C@@H](C)[C@H](O)C1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nonc1OCCNc1nc(-c2cccnc2)nc2c1C[NH2+]C2
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(-n2cc([O-])c(n2)-c2onc(n2)[C@@H](OC)C)ccc1
### Response:
CO[C@@H](C)c1noc(-c2nn(-c3ccccc3)cc2[O-])n1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCC[C@@H](NC(=O)c1cnc([C@@H]2CCCO2)s1)c1nnn[n-]1
### Response:
4 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(OCc2cscn2)c(CO)c1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C([C@H]1CCOC1)N(CC(F)(F)F)c1ccccc1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C1[C@@H]2OC[C@@H](O2)[C@@H]2ON=C(c3ccc4c(c3)OCO4)[C@H]12
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
CC[C@@H]1c2ccccc2CCN1C(=O)CN(C)S(=O)(=O)c1ccccc1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]C(C)(C)C
Fragment 2: [1*]C(=O)C([1*])=O
### Response:
CCCCC1CCC(NC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1nnc(NC(=O)CCc2ncc(-c3ccccc3F)o2)s1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(cc(c1Cl)Cl)C(CO)(C)C
### Response:
CC(C)(CO)c1ccc(Cl)c(Cl)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[O-][N+](c1cccc(c1)[C@@H](N1CCN(CC1)CC#C)C)=O
### Response:
C#CCN1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
CC1(C)CC[C@H](CNC(=O)[C@@H]2CCOC2)c2ccccc21
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C/[NH+]=C(/NCc1ccc(OC)cc1)N1CCC(C)CC1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccn2cc(CNS(=O)(=O)c3ccc(-c4ccccc4)cc3)nc12
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2C(=O)NC(C)C)n1C
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(NC([C@H](Sc1oc(-c2cc3C[C@H](C)CCc3s2)nn1)C(C)C)=O)N
### Response:
CC(C)[C@@H](Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1)C(=O)NC(N)=O |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1c2CCCCCn2c(n1)CCNC(=O)/C=C\c1ccc(OCC#N)cc1
### Response:
N#CCOc1ccc(/C=C\C(=O)NCCc2nnc3n2CCCCC3)cc1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)C[C@@H]2C)c1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@H](C)[C@H](C(=O)Nc1cc(C(N)=O)sc1C)c1ccccc1
### Response:
5 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@@H](C)[C@H]([NH2+]C)[C@@H]1CCOC2(CCC2)C1
### Response:
4 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
COc1ccc(C[NH2+][C@H]2CCO[C@@H]2C)c(OC(F)F)c1
### Response:
Yes |
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