task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH+]1CCN(CCCNC(=O)c2nnc(C(=O)Nc3cccc(Cl)c3)s2)CC1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1ccco1
Fragment 2: [8*]Cc1ccccc1
### Response:
O=C(C1=C([O-])C(=O)N(Cc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccco1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc2oc(=O)cc(CC(=O)N3CCC(Cc4ccccc4)CC3)c2cc1C
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[C@@H](C[C@@](CC1)(C[NH3+])[C@H](O)CC)C
### Response:
CC[C@@H](O)[C@@]1(C[NH3+])CCC[C@H](C)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1coc2nc3c(c(OC)c21)ccc(O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](C)O1)c3OC
### Response:
COc1c2ccoc2nc2c(OC)c(O[C@@H]3O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]3O)ccc12 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCCN1CCN(S(=O)(=O)Cc2cccc(N)c2)CC1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN(CC(=O)N(C)c1cccc(C#N)c1)c1ccccc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc(cc1)SCC[C@H]1[NH2+]CCCC1
### Response:
c1ccc(SCC[C@@H]2CCCC[NH2+]2)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(NCc1ccccc1OC(F)F)c1ccc(Cl)cc1N1CCCC1=O
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
O=C1NC[C@]2(CCCN(C(=O)CCN3C(=O)COc4ccccc43)C2)O1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H]1(CC[NH+](C)C[C@@H]1C)N(C(=O)NCCCSc1nccs1)C
### Response:
C[C@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NCCCSc1nccs1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
Cc1ccccc1CCNC(=O)c1[nH]nc(C2CC2)c1N
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1c(C)cccc1C
Fragment 2: [1*]C(=O)c1cc([16*])ccc1[16*]
### Response:
Cc1cccc(C)c1NC(=O)Nc1ccc(N2CCCC2)c(C(=O)N[C@H](C)c2ccccc2)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C([1*])=O
Fragment 2: [5*]N[C@@H]1CCCC[C@@H]1[15*]
### Response:
Cc1cnc(-c2cccc(NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3C(C)C)c2)o1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)CN[5*]
Fragment 2: [5*]N1CC=C(c2cc(C)cc(C)c2)CC1
### Response:
COC(=O)NCC(=O)N1CC=C(c2cc(C)cc(C)c2)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cc(C#N)ccc1Cl
Fragment 2: [1*]C(=O)c1ccc(C)s1
### Response:
Cc1ccc(C(=O)Nc2cc(C#N)ccc2Cl)s1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@H]1C[C@H]1[15*]
Fragment 2: [8*]C(F)(F)F
### Response:
NC(=O)CNC(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
NC(=O)c1ccc(NCCc2c[nH]c3ccc(F)cc23)nn1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cn2c(=O)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2s1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
O=C(CN1CCN(c2ccccc2)CC1)NC(=O)Nc1ccccc1F
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc(cc1)[C@H]1CCCN(c2ncc(C#N)cc2)CC1
### Response:
N#Cc1ccc(N2CCC[C@H](c3ccccc3)CC2)nc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(c1ccc(N2C(=O)NCC2)cc1)(O[C@H](C)c1ccc(C)cc1)=O
### Response:
Cc1ccc([C@@H](C)OC(=O)c2ccc(N3CCNC3=O)cc2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
COc1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4ccoc4C)n3C)c2C)cc1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
S=c1n(CN2CCOCC2)cnn1CN1CCOCC1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(Cn1c(=O)c(=O)n(Cc2ccncc2)c2ncccc21)NCCc1ccccc1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cc(OC)cc([C@H](O)[C@H]2C[NH+]3CCN2CC3)c1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(=C\c1ccc(cc1)OC)/C(N[C@@H](C)C(=O)N(C)[C@@H](C)c1cc(ccc1)Cl)=O
### Response:
COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)N(C)[C@@H](C)c2cccc(Cl)c2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cccc(Cl)c1
Fragment 2: [5*]Nc1cc(C)ccc1C
### Response:
CCc1nn2c(c1-c1cccc(Cl)c1)NC(=O)[C@H]2CC(=O)Nc1cc(C)ccc1C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(F)cc1
Fragment 2: [15*][C@@H]1CCC[C@H](S(C)(=O)=O)C1
### Response:
CS(=O)(=O)[C@H]1CCC[C@@H]([C@H](O)Cc2ccc(F)cc2)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(=O)([C@H](C)Cl)Nc1ccc2c(c1)[nH]c(c1c2CCCC1)=O
### Response:
C[C@H](Cl)C(=O)Nc1ccc2c3c(c(=O)[nH]c2c1)CCCC3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@@H](O)c1cccc(NC(=O)c2ccccc2C(=O)c2ccccc2)c1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
Cc1cc(NC(=O)C[NH+](C)Cc2cccc(Cl)c2)on1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(C(=O)N(CCn2nc(C)cc2C)c2nc3ccccc3s2)n(C)n1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C([C@@H]([C@@H](C)NC(NCc1cc(ccc1)N(C)C)=O)C)O
### Response:
C[C@@H](CO)[C@@H](C)NC(=O)NCc1cccc(N(C)C)c1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCCC[NH+](CC(N)=O)Cc1c(C)nc2sc(C)cn12
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CN([C@@H](C)c1c(F)ccc(c1)F)C([C@H]1C[C@@H]1c1c(cccc1)F)=O
### Response:
C[C@@H](c1cc(F)ccc1F)N(C)C(=O)[C@H]1C[C@@H]1c1ccccc1F |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(c1nc(ccc1Cl)NC)N(Cc1ncccc1)CC
### Response:
CCN(Cc1ccccn1)C(=O)c1nc(NC)ccc1Cl |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CC(c2ccccc2)CCN1c1ccc(cc1)[N+](=O)[O-]
### Response:
O=[N+]([O-])c1ccc(N2CCC(c3ccccc3)CC2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cc(C)cc(C)c1
Fragment 2: [5*]Nc1c(Br)c(C)nn1[9*]
### Response:
CC[C@@H](CO)NC(=O)C(=O)Nc1c(Br)c(C)nn1-c1cc(C)cc(C)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(OC)ccc(C(c2ccc(cc2)O)=O)cc1
### Response:
COc1ccc(C(=O)c2ccc(O)cc2)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(NC(c2c(nc3c(ccc(OC)c3)c2)C)=O)c(cc(c1)Cl)C
### Response:
COc1ccc2cc(C(=O)Nc3ccc(Cl)cc3C)c(C)nc2c1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1cc(C[NH+]2CCC(OCCCO)CC2)ccc1Br
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
Cc1nc2ccc(N(C)C(=O)[C@@H]3COc4ccccc4C3)cc2s1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*]C1CC1
Fragment 2: [5*][NH2+]CC
### Response:
CC[NH2+][C@H](CC)[C@H](c1ccc(Cl)cc1)C1CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1C[NH2+]C[C@H](O1)CC(N1C[C@@H](CCC1)CC)=O
### Response:
CC[C@@H]1CCCN(C(=O)C[C@@H]2C[NH2+]CCO2)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CCN(C(=O)c1cn2c(cccc2)n1)CC
### Response:
CCN(CC)C(=O)c1cn2ccccc2n1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12c([C@@H](SCC1)C(=O)N[C@H](C)C(NCc1ccccc1)=O)ccs2
### Response:
C[C@@H](NC(=O)[C@@H]1SCCc2sccc21)C(=O)NCc1ccccc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[NH+](C[C@@H](C(=O)Nc2ccccc2)CC1)[C@H](C(N(C(C)C)C(C)C)=O)C
### Response:
CC(C)N(C(=O)[C@H](C)[NH+]1CCC[C@H](C(=O)Nc2ccccc2)C1)C(C)C |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C=CCSc1nnc2n1CCCCC2
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc([C@@H](CC(=O)Nc2nc(C)cs2)N2Cc3ccccc3C2=O)cc1OC
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
COc1ccccc1OCCNC(=O)c1ccc2ccccc2c1O
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[NH+](C)Cc1ccc(F)c(F)c1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(N[C@@H](CO)Cc1ccccc1)c1nc(-c2cccs2)no1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nn(C)c2sc(C(=O)N3C[C@@H](C)c4ccccc43)cc12
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NS(=O)(=O)c1c(F)cccc1F
Fragment 2: [4*]CCc1nncn1[9*]
### Response:
O=S(=O)(NCCc1nncn1C1CC1)c1c(F)cccc1F |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1ccccc1Cl
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(-c2scc(n2)C(=O)O[C@@H](c2ccccc2)c2ccncc2)csc1
### Response:
O=C(O[C@@H](c1ccccc1)c1ccncc1)c1csc(-c2ccsc2)n1 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
C[C@H](Oc1ccccc1)C(=O)NC1CCC2(CC1)OCCO2
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
NC1=C(Cl)[C@H](C(=O)[O-])N=[NH+]1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[NH2+]1[C@@H](CCC1)[C@H]1CCCN(c2nc3ccc(Cl)cn3n2)C1
### Response:
Clc1ccc2nc(N3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)nn2c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]Oc1ccc(Br)c(C)c1
Fragment 2: [1*]C(=O)C[4*]
### Response:
Cc1cc(OCC(=O)Nc2ccccc2C#N)ccc1Br |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CC(CC[NH+]1Cc1c(sc(c1)C(OC)=O)C)CC(=O)N1CCCC1
### Response:
COC(=O)c1cc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c(C)s1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1nc(N2CCN(C(=O)CCc3ccccc3)CC2)c2c(n1)c(C)nn2C
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cccc(-n2cnc3c(NCCCN4CCCC4=O)ncnc32)c1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(cc(ccc1)NC(N[C@H](Cc1ccccc1)CCC)=O)S(=O)(N)=O
### Response:
CCC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(S(N)(=O)=O)c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)C1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[NH+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)c3ccon3)CC2)C1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NS(=O)(=O)c1cc(C)c(OC)cc1C
Fragment 2: [4*]Cc1ccccc1Cl
### Response:
COc1cc(C)c(S(=O)(=O)NCc2ccccc2Cl)cc1C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*][C@@H]1CCC(=O)[C@@H]([15*])C1
Fragment 2: [8*]C[C@H](O)C(F)(F)F
### Response:
CC(C)[C@@H]1CCC(=O)[C@@H](C[C@H](O)C(F)(F)F)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC1=C(C(=O)Nc2cc(C)ccn2)[C@H](c2cc([N+](=O)[O-])ccc2Cl)C2=C(CC(C)(C)CC2=O)N1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1C[C@]2(C[NH+]=C(N)N2c2ccc(Cl)cc2)CS1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc2c(cc1)C(c1ccccc1CC2)CC(=O)[O-]
### Response:
O=C([O-])CC1c2ccccc2CCc2ccccc21 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1c(F)cccc1Cl
Fragment 2: [5*]N(C)C[8*]
### Response:
CN(Cc1c(F)cccc1Cl)C(=O)C(=O)Nc1ccc2c(c1)COC2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1N2[C@](c3cc(ccc3NC(C2)=O)Br)(OC1)c1c(cccc1)F
### Response:
O=C1CN2CCO[C@@]2(c2ccccc2F)c2cc(Br)ccc2N1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccccc1N([C@@H](C)C(=O)Nc1ccc2c(c1)OCO2)S(=O)(=O)c1cccs1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(C)C[C@H]([C@@H]([C@H](C#N)CC)O)C
### Response:
CCC[C@@H](C)[C@H](O)[C@H](C#N)CC |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1nc2cccnc2s1
Fragment 2: [5*]N1CCN([5*])CC1
### Response:
O=S(=O)(c1ccc(F)cc1F)N1CCN(c2nc3cccnc3s2)CC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(CCC2CCN(C(=O)CNC(=O)c3ccccc3F)CC2)cc1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
CC(C)[NH+]1CCC(N2CC[NH+](Cc3c(F)ccc(F)c3F)C[C@@H]2CCO)CC1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cccc(Br)c1
Fragment 2: [16*]c1cccc(F)c1
### Response:
O=C(CCc1cccc(Br)c1)c1cccc(F)c1 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
C[C@@H]([C@@H](O)c1ccc2ncnn2c1)[N+](=O)[O-]
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CNC(=O)CCc1ccc(C(C)C)cc1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(COc1ccc(Br)cc1)NC(=S)Nc1ccc(Cl)cc1C(=O)[O-]
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@@H](C)C1CCC1
Fragment 2: [16*]c1ccc(OC)c([16*])c1
### Response:
COc1ccc([C@H](C)[NH2+][C@@H](C)C2CCC2)cc1Cn1cccn1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCNC(=O)Nc1cc(-c2ccccc2C)nn1C
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
COC(=O)C(C)(C)C[NH2+][C@@H]1CCCCC[C@H]1C
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)(c1ccccc1)c1nnc(NC(=O)C(=O)NC2CCCC2)s1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H](C)(c1nc(C(C)C)no1)SCc1nc(no1)-c1ccco1
### Response:
CC(C)c1noc([C@@H](C)SCc2nc(-c3ccco3)no2)n1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc2c(c1)-c1onc(C(=O)N[C@H](C)C(C)C)c1CC2
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1ccc2c(Cl)cccc21
Fragment 2: [5*]N1CCN([5*])CC1
### Response:
O=C(CCn1ccc2c(Cl)cccc21)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[C@@H]2C(=O)N([C@@H](c3ccccc3)C(N2CCC1)=O)C
### Response:
CN1C(=O)[C@H]2CCCCN2C(=O)[C@@H]1c1ccccc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]C(C)C
Fragment 2: [1*]C(=O)C1=CC=CN2CCS(=O)(=O)N=C12
### Response:
CC(C)c1cccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCC(CC)C(O)(C(=O)[O-])C(CC)CC
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(Cl)ccc(C(N2C(CC[C@H]2C([C@H](c2nc3c(s2)ccc(C(F)(F)F)c3)C#N)=O)=O)=O)c1
### Response:
N#C[C@H](C(=O)[C@@H]1CCC(=O)N1C(=O)c1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)ccc2s1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(Nc1c(cccc1)C#N)COC(=O)/C(C#N)=C/c1ccccc1
### Response:
N#C/C(=C\c1ccccc1)C(=O)OCC(=O)Nc1ccccc1C#N |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(Cn1cnc2cc(F)ccc2c1=O)NCc1ccco1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(NCc1nnc2ccccn12)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(ccc(F)cc1)[C@@H](NS(=O)(C)=O)c1cnccc1
### Response:
CS(=O)(=O)N[C@H](c1ccc(F)cc1)c1cccnc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cc([C@@H](C)NC(=O)Cc2ccc(F)cc2F)c(C)s1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]C[C@H]1CCCN([5*])C1
Fragment 2: [4*]Cc1cccc([16*])c1
### Response:
CN(Cc1cccc(OC[C@H]2CCCN(C(=O)c3ccccn3)C2)c1)C1CC[NH+](C)CC1 |
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