task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@H](CO)C(C)C
Fragment 2: [1*]C(=O)c1ccncc1
### Response:
CC(C)[C@@H](CO)NC(=O)c1ccncc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[O-][N+](=O)c1c(-n2c(c(N)nn2)C)cccc1
### Response:
Cc1c(N)nnn1-c1ccccc1[N+](=O)[O-] |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(cc(cc1Cl)C(=O)NCc1ccc(cc1)Cl)Cl
### Response:
O=C(NCc1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CCS(C)(=O)=O
Fragment 2: [4*]Cc1cccc([16*])c1
### Response:
CS(=O)(=O)CC[NH2+]Cc1cccc(C2CC2)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC1=NC(C)=C(C(=O)N2CCCCC2)[C@H]1S(=O)(=O)NC1CC1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(=O)c1cnc2c(-c3ccc(C)cc3)c(C)nn2c1C
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@@H]1CCCN(C(=O)N2CCCC[C@@H]2CCO)C1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
COc1ccc2c(c1)c(C)c(C(=O)N1CCCC[C@@H]1C[NH+](C)C)n2C
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCc1ccc([C@H](C)C(=O)Nc2ccc(CS(N)(=O)=O)cc2)cc1
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(Nc1cccc(Cl)c1)C1CN(S(=O)(=O)C2CC2)C1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH2+]Cc1cc(C)n(-c2ccc(OC)cc2)c1C
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@H](CN[5*])C(C)C
Fragment 2: [1*]C(=O)C[8*]
### Response:
CC(C)[C@@H](CNC(=O)CN1C(=O)c2ccccc2C1=O)N1CC[NH+](C)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC(c1ccc(cc1)[C@H](C)[NH2+]C[C@@H](C)[S@@](=O)C)(C)C
### Response:
C[C@H]([NH2+]C[C@@H](C)[S@](C)=O)c1ccc(C(C)(C)C)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@@]1(C)CCCO1
Fragment 2: [5*]N(C)C1CCC(=O)CC1
### Response:
CN(C(=O)[C@@]1(C)CCCO1)C1CCC(=O)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(O[C@H]2C[C@]([NH3+])(CCC2)C([O-])=O)ccc2c1CCC2
### Response:
[NH3+][C@]1(C(=O)[O-])CCC[C@@H](Oc2ccc3c(c2)CCC3)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(ccncc1)CC(=O)NNC(c1cc(C(C)C)nn1C)=O
### Response:
CC(C)c1cc(C(=O)NNC(=O)Cc2ccncc2)n(C)n1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC(C)NC([C@H]1CCC[C@H](NC(N[C@H](c2scc(n2)C)C2CC2)=O)C1)=O
### Response:
Cc1csc([C@@H](NC(=O)N[C@H]2CCC[C@H](C(=O)NC(C)C)C2)C2CC2)n1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CNC(=O)NC(=O)[C@H](C)Sc1ncccc1Cl
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(N1CCO[C@H](C1)C)C(=O)Nc1ccccc1
### Response:
C[C@H]1CN(C(=O)C(=O)Nc2ccccc2)CCO1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COCc1cc([N+](=O)[O-])ccc1NC[C@](C)(O)c1cc(C)oc1C
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
COc1ccnc(NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
CC[C@@H]1CC[C@@](O)([C@@]2(C#N)COc3ccccc3C2)C1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCCCOC
Fragment 2: [5*]NCC[8*]
### Response:
COCCCNC(=O)NCCc1ncc(C)s1 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
N#Cc1ccc(C(=O)O[C@@H](c2ccccc2)c2nccs2)cc1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOC(=O)c1c(NC(=O)CSC2=NC(=O)C3=C4CCC[C@@H]4SC3=N2)sc(C)c1C
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1C(=O)CC[C@]2(C=1C[C@@H]([C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@@]21OC(=O)CC1)SC(C)=O)C
### Response:
CC(=O)S[C@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](CC[C@]34CCC(=O)O4)[C@H]12 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccc(N2CCN(C(=O)c3c4c(nc5ccccc35)CCC4)CC2)c1C
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
[NH3+][C@H](c1ccc(Cl)cn1)[C@H]1CCc2cccnc21
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1csc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)n1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nn(C)c(C)c1CN(C)Cc1c2cccn(CC(=O)N(C)C)c-2nc1C(F)(F)F
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(S(=O)(=O)NCc2cnn(C)c2N)c(Br)c1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1C[C@@H](NC(c2c[nH]c3ccc(cc3c2=O)OC)=O)C[C@@H]1[NH3+]
### Response:
COc1ccc2[nH]cc(C(=O)N[C@@H]3CC[C@@H]([NH3+])C3)c(=O)c2c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCOc1ccc2c(c1)CN(c1nnc(C)s1)CC2
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*][C@@H]1CCCC[C@@H]1C#N
Fragment 2: [5*][NH+]1CCC(C)(C)C1
### Response:
CC1(C)CC[NH+]([C@@H]2CCCC[C@@H]2C#N)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
NC(=O)c1cccc(CNC(=O)NCC[NH+]2CCCCC2)c1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*][C@@H](O)c1cc(OC)c(OC)cc1Br
Fragment 2: [8*][C@H](O)c1cc(C)cc(F)c1
### Response:
COc1cc(Br)c([C@H](O)c2cc(C)cc(F)c2)cc1OC |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(NCc2ccccc2OCC(C)C)cc1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C[C@@H]1C[C@@H](C)CN(C1)C(c1c2cc(Cl)ccc2nc(c1)-c1cccnc1)=O
### Response:
C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc23)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(NC(=O)C(=O)N2CCN(c3ccc(F)cc3)CC2)c(F)c1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
N#CCCN(Cc1ccco1)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccncc1F
Fragment 2: [5*]N([5*])C1CCC([NH3+])CC1
### Response:
CCCN(C(=O)c1ccncc1F)C1CCC([NH3+])CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CC(C)C
Fragment 2: [5*]N([5*])CC
### Response:
CCN(CC(C)C)C(=O)[C@H]1CCO[C@@H]1C |
functional_group | ### Instruction:
Does the molecule contain a ether group?
Cc1[nH]c(-c2ccc(OCC(=O)[O-])cc2)[nH+]c1C
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)C[NH+]1CCC(NC(=O)[C@@H](C)c2ccc3ccccc3c2)CC1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
Cc1nn(C)c2ncc(NC(=O)C(=O)NC3CCC(C)(C)CC3)cc12
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC([C@@H](C(Nc1ccc(C)cc1)=O)Sc1nnnn1C[C@@H]1CCCO1)C
### Response:
Cc1ccc(NC(=O)[C@@H](Sc2nnnn2C[C@@H]2CCCO2)C(C)C)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2C(=O)NC(C)C)n1C
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CCC(N(C)C[C@H]2CN(CCO2)C)(CC1)C[NH3+]
### Response:
CN1CCO[C@@H](CN(C)C2(C[NH3+])CCCCC2)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1ccc([14*])o1
Fragment 2: [6*]C(N)=O
### Response:
NC(=O)c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(=O)/C=C1\S/C(=N\c2ccccc2OC)NC1=O
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CN(C(=O)c1cc(-c2ccccc2F)on1)c1cccc2ncccc12
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(-n3cccc3)nc2)C1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nc(/C=C/C(=O)N[C@@H]2CCCC[C@@H]2OC2CCCC2)cs1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(C(OCC(c2cc([N+]([O-])=O)ccc2)=O)=O)c(cc1)Br
### Response:
O=C(COC(=O)c1ccccc1Br)c1cccc([N+](=O)[O-])c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [10*]N1C(=O)CC[C@H]1[13*]
Fragment 2: [6*]C(=O)[C@H]([8*])C#N
### Response:
N#C[C@H](C(=O)[C@@H]1CCC(=O)N1C(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ccc2s1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)c3cccs3)cc2c1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCc1cccc(C)c1NC(=O)C[NH+](CC)[C@@H](C)c1ccc(C#N)cc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(ccc1OC)[C@H](NC(c1c2n(nc1)[C@H](C(F)(F)F)C[C@H](CC)N2)=O)CC
### Response:
CC[C@H]1C[C@@H](C(F)(F)F)n2ncc(C(=O)N[C@H](CC)c3ccc(OC)cc3)c2N1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@@H]([8*])c1ccccc1
Fragment 2: [4*][C@H]([8*])c1cccc(F)c1
### Response:
COCCCNC(=O)N[C@H](c1ccccc1)c1cccc(F)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cc(Br)cnc1N
Fragment 2: [5*]N([5*])CC
### Response:
CC[C@@H](C)CN(CC)C(=O)c1cc(Br)cnc1N |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(C)cc(nn1-c1ccc(cc1)C(=O)N[C@@H](C)c1ccccc1)C
### Response:
Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)n1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccccc1
Fragment 2: [5*]N1CCOC(=O)[C@H]1[13*]
### Response:
Cc1ccc(NC(=O)C[C@@H]2C(=O)OCCN2Cc2ccccc2)cc1[N+](=O)[O-] |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C[S@@](=O)c1c(Cl)cc(Cl)c(N)c1[N+](=O)[O-]
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
CSc1ncc(Cl)c(C(=O)Nc2ccsc2C(=O)[O-])n1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a halide group?
COc1cccc(S(=O)(=O)/N=C([O-])/C(C#N)=C\c2ccco2)c1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C[4*]
Fragment 2: [5*]NCc1ccccc1C
### Response:
Cc1ccccc1CNC(=O)CN1CCOC[C@@H]1CC(C)C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cccc(Cl)c1
Fragment 2: [15*][C@@H]1C[NH2+]C[C@H]1[15*]
### Response:
COC(=O)[C@@H]1C[NH2+]C[C@H]1c1cccc(Cl)c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCc1cccc(S(=O)(=O)Nc2cccc(-c3nnnn3C)c2)c1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCn1c(SCC(=O)N(C)C2CCOCC2)nnc1-c1ccco1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
N=C1/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N=C2SC(Cc3cccs3)=NN12
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H]([NH+](C)C[C@H](N)c1ccc(C)cc1)(CC)C
### Response:
CC[C@H](C)[NH+](C)C[C@H](N)c1ccc(C)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1c[nH]nc1C(N1CCC[C@@H](C1)CNS(=O)(=O)C)=O
### Response:
CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2nc[nH]n2)C1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CSc1nc2nnc3c(=O)n(-c4cccc(Cl)c4)ccc3n2n1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCO[C@H](C)C(=O)OCC(=O)NC(C)C
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N(Cc1ccc(cc1)S(=O)(=O)N)C(=O)c1ccc(OC(C)C)cc1
### Response:
CC(C)Oc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COCCCNC(=O)Nc1cccc(C(=O)N2CCCC2)c1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1c(sc(SC[C@@H]2C([NH+]=c3c(cccc3)=[NH+]2)=O)n1)NC(CCCC)=O
### Response:
CCCCC(=O)Nc1nnc(SC[C@H]2[NH+]=c3ccccc3=[NH+]C2=O)s1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1F
Fragment 2: [5*]N[C@@H]1CCCN([10*])C1=O
### Response:
C[C@H](NC(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O)[C@@H]1CCCO1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(COc1nc2ccccc2s1)N1CCc2ccccc2C1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C([O-])COc1cccc(/C=C2/SC(=S)N(NC(=O)c3ccccc3F)C2=O)c1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc2c(c(-c3nc4ccccc4s3)c1)O[C@H](CNC(=O)[C@H]1CCOC1)C2
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1cc(c(nc1[C@@H]1C[NH+](C)CCC1)C)C(N)=O
### Response:
Cc1nc([C@H]2CCC[NH+](C)C2)ncc1C(N)=O |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(C(=O)N2CCC(OCc3ccccc3OC)CC2)cn1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N(C(CCC(=O)c1cc2CCCCc2cc1)=O)Cc1nc2c(cccc2)s1
### Response:
O=C(CCC(=O)c1ccc2c(c1)CCCC2)NCc1nc2ccccc2s1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@H]1CCCN1[5*]
Fragment 2: [12*]S(=O)(=O)c1ccc(F)cc1
### Response:
Cc1nc(-c2ccc(CNC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)s2)cs1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1nccc([14*])n1
Fragment 2: [14*]c1nc(C)c2cc(OC)ccc2n1
### Response:
COc1ccc2nc(Nc3nccc(-c4cn(C)nc4C)n3)nc(C)c2c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [10*]N1C(=O)c2ccccc2N[C@@H]1[13*]
Fragment 2: [16*]c1ccc(Cl)cc1
### Response:
O=C1c2ccccc2N[C@H](c2ccc(O)c(O)c2)N1c1ccc(Cl)cc1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CCCOc1c(C[NH2+][C@H]2CCC[C@@H](C)C2)cccc1OC
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@H](OC(=O)C[C@H]1Sc2ccccc2NC1=O)C(=O)Nc1ccc2c(c1)OCO2
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
CCN(Cc1cn(-c2ccccc2)nc1-c1cccnc1)C[C@@H](C)C#N
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cccc(F)c1Cl
Fragment 2: [5*]NCc1nncn1CC
### Response:
CCn1cnnc1CNC(=O)c1cccc(F)c1Cl |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]CCCC
Fragment 2: [9*]n1c([14*])nc(=S)c2c1CC(C)(C)OC2
### Response:
CCCCn1c(-c2ccccc2)nc(=S)c2c1CC(C)(C)OC2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)c1c(C)cc(C)c(CSc2nc3cc(S(=O)(=O)N(C)C)ccc3o2)c1C
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]CCO
Fragment 2: [16*]c1ccc(OC)cc1
### Response:
COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCO)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCNC(=O)CN(CC)C(=O)COc1nn(C)c2nc(C)cc(C)c12
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O[C@@H](Cc1nc2ccccc2s1)c1ccsc1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cccc(NC(=O)CN(C)C(=O)Cc2ccccc2[N+](=O)[O-])c1C
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(c(OC(F)F)ccc1[N+](=O)[O-])NC(=O)[C@@H](NC(c1ccoc1)=O)C
### Response:
C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccsc1
### Response:
1 |
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