task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(Nc1ccc([N+]([O-])=O)cc1)(N1CC[C@@H]([NH3+])[C@@H](C)C1)=O
### Response:
C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH3+] |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCC[8*]
Fragment 2: [16*]c1ccc(S(N)(=O)=O)cc1
### Response:
NS(=O)(=O)c1ccc(CCNC(=O)c2c3c(nc4ccccc24)CCCCC3)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc2ccccc2c1
Fragment 2: [1*]C(=O)[C@@H]([8*])C
### Response:
C[C@@H](C(=O)NC[C@H](O)c1ccccc1F)c1ccc2ccccc2c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cn1c(=O)oc2cc(S(=O)(=O)N3CCC[C@@H](C(=O)NCc4ccc5c(c4)OCO5)C3)ccc21
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1O
Fragment 2: [15*][C@@H]1CC(=O)C2=C(C1)Nc1ncnn1[C@H]2c1ccc([16*])cc1
### Response:
COC(=O)c1ccc([C@H]2C3=C(C[C@H](c4ccccc4O)CC3=O)Nc3ncnn32)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
NC(=O)[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)c2ccccc21
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [7*]C/C=C1/CCCC1=O
Fragment 2: [7*]C/C=C1\N(C)c2ccccc2C1(C)C
### Response:
CN1/C(=C\C=C2\CCCC2=O)C(C)(C)c2ccccc21 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C#CCOc1ccc(N(C)C(=O)c2cccc(F)c2OCC)cc1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O(C)c1cc(OC)c(F)cc1NC(=O)c1cccc(c1)NC(=O)C1CC1
### Response:
COc1cc(OC)c(NC(=O)c2cccc(NC(=O)C3CC3)c2)cc1F |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCC(F)F
Fragment 2: [1*]C(=O)c1cccc(O[3*])n1
### Response:
O=C(c1cccc(OCC(F)F)n1)N1CC[C@@]2(CCOC2)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cc([C@H](C)[NH2+][C@@H]2CCOC2)ccc1F
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@H](NC(=O)c1cc(-c2cccnc2)nc2c1cnn2Cc1ccco1)c1cccc(Cl)c1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(NCc1nc(-c2ccco2)n[nH]1)N1CCc2ccc(Cl)cc2C1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cccc(C#N)c1
Fragment 2: [5*]N1CCN([5*])CC1
### Response:
N#Cc1cccc(CS(=O)(=O)N2CCN(C(=O)c3ccoc3)CC2)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [13*][C@@H]1Oc2ccccc2[C@@]1(C)CO
Fragment 2: [9*]n1nnc2ccccc21
### Response:
C[C@@]1(CO)c2ccccc2O[C@H]1n1nnc2ccccc21 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1ccco1
Fragment 2: [5*]NC[C@H]([8*])O
### Response:
O=C(NC[C@@H](O)c1ccco1)c1csc2c1CCCC2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H]1(OCCN(Cc2oc(C#N)cc2)C1)[C@H]1OCCC1
### Response:
N#Cc1ccc(CN2CCO[C@H]([C@@H]3CCCO3)C2)o1 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(F)cc1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1cc2ncn(C(=O)[C@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3)c2cc1C
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(=O)n(Cc2ccc(F)cc2)n1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
CCN(CC)C(=O)c1cccc(NC(=O)C[C@H]2SC(N3CCCCC3)=NC2=O)c1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CN(C)C(=O)C[C@H](C[NH3+])N1CCC(C[NH+](C)C)CC1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COC(C)(C)CNC(=O)NCc1nccn1Cc1ccccc1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CC[NH2+][C@@H]1[C@@H]1[C@@H](CCCC1)NCc1n[nH]cn1
### Response:
c1nc(CN[C@@H]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)n[nH]1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1[nH]c(=O)n(C)c(=O)c1CCc1nnc(SCC(=O)Nc2cccc(Cl)c2)o1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(NCc2c(C)csc2)c(cc(cc1)C(=S)N)F
### Response:
Cc1cscc1CNc1ccc(C(N)=S)cc1F |
functional_group | ### Instruction:
Does the molecule contain a amine group?
O=C(/C=C/c1ccsc1)N1CCC(Nc2cccnc2)CC1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
N#Cc1c(F)cccc1N1CCN(Cc2cnc[nH]2)CC1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(N1CCN(c2c(cccc2)[N+]([O-])=O)CC1)(Cn1nc(-c2ccc(C)cc2)nn1)=O
### Response:
Cc1ccc(-c2nnn(CC(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)n2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cc(C(=O)Nc2ccccc2Oc2ccccc2)on1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@H](C)C1CC[NH+](C)CC1
Fragment 2: [6*]C(=O)[O-]
### Response:
C[C@@H](Nc1cccc(C(=O)[O-])c1)C1CC[NH+](C)CC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)c1cnc(NC(=O)Cc2ccc(F)c(F)c2)s1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCc1nc2n(n1)CCC[C@H]2NC(=O)COc1cc(C(C)C)ccc1C
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CCCOc1ccc(CN2CCOC(C)(C)C2)cc1OC
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cn2c(s1)nc(C)c2C(=O)c1ccc(NS(c2cccc(c2)Br)(=O)=O)cc1
### Response:
Cc1nc2sccn2c1C(=O)c1ccc(NS(=O)(=O)c2cccc(Br)c2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccccc1C(C)(C)CNC(=O)c1c(C)nn(C)c1OC
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(Cc1csc(-c2ccc(Cl)s2)n1)NCc1nnc2n1CCC2
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COC1CCN(C(=O)CCCNC(=O)C(C)(C)C)CC1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)C[NH2+]C[C@H]1C[C@@H]1c1ccc(CC(C)C)cc1
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(Cl)cc3)[C@@H]2C1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
COc1cccc(C(=O)O[C@H](C)C(F)(F)F)c1F
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1cccs1
Fragment 2: [1*]C(=O)c1cccc(N[5*])c1
### Response:
O=C(CCCc1cccs1)Nc1cccc(C(=O)NC2=NCCS2)c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COC(=O)c1cc(NC(=O)c2cc(-c3cc(C)oc3C)nc3c2cnn3C(C)C)ccc1Cl
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
Cc1cccc(NC(=O)CC2(n3cccc3)CCCCC2)n1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccccc1C[C@H]([NH3+])c1cc(C(F)(F)F)ccc1F
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1(NC(=O)CSc2c(C#N)cc(C(OCC)=O)c(C)n2)CCCC1
### Response:
CCOC(=O)c1cc(C#N)c(SCC(=O)NC2CCCC2)nc1C |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1nnc([C@H]2Cc3ccccc3CN2Cc2ccc(Cl)c(F)c2)o1
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CN1C(=O)C[C@@H](NC(=O)C2(C#N)CCCC2)[C@H]1c1ccc(Cl)cc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(F)c(F)c1
Fragment 2: [1*]C(=O)CC[8*]
### Response:
CC1(C)CC(NC(=O)CCc2ccc(F)c(F)c2)CC(C)(C)[NH2+]1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccccc1-c1c(CNC(=O)Cn2c(oc3ccccc23)=O)cn(n1)Cc1ccccc1
### Response:
O=C(Cn1c(=O)oc2ccccc21)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCS(=O)(=O)C[C@@H](C)NC(=O)c1ccc(Cl)c(Cl)c1
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CONC(=O)c1ccc([N+](=O)[O-])cc1I
### Response:
0 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(=O)Oc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
C=CCN1C(=O)/C(=C\c2c(NCC)nc3c(C)cccn3c2=O)SC1=S
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1ccc(-c2cnc(CCC(=O)NCC(C)(C)c3ccncc3)o2)cc1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)COC[C@H](C)[NH2+][C@@H]1CCOc2ccc(F)cc21
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
COc1cc(/C=C(\C#N)C(=O)Nc2nccs2)ccc1OCc1ccccc1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CC(C)(CNC(=O)CC[C@@H]1NC(=O)NC1=O)[NH+]1CCc2ccccc2C1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C([C@@H](C)Oc1c(C)c(C)ccc1)NNC(=O)c1[nH]cc(c1)-c1csc(n1)C
### Response:
Cc1nc(-c2c[nH]c(C(=O)NNC(=O)[C@@H](C)Oc3cccc(C)c3C)c2)cs1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(OC)c1O)N2
### Response:
4 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(CCC)CSc1c([nH]c(nn1)[O-])=O
### Response:
CCCCCSc1nnc([O-])[nH]c1=O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)c1cccs1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(-n2nnnc2N2CCN(c3ccc(O)cc3)CC2)cc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
CCC1(CC)C(=O)NC(=NNC(N)=S)NC1=O
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H](SCC1=NC(=O)C2=C(c3ccccc3)CSC2=N1)C(=O)N1CCN(c2nccs2)CC1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N(C)CCC
Fragment 2: [1*]C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1
### Response:
CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2[NH2+]1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[NH2+][C@]1(CO)CCC[C@@H]1CC[NH+](C)CC1CCC1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](NC(=O)N[C@H](C)C(C)(C)C)c1cccc(-n2cccn2)c1
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1nc([14*])no1
Fragment 2: [11*]SCc1nc([14*])no1
### Response:
CC(C)Cc1noc(CS[C@H](C)C(=O)Nc2ccc(F)cc2F)n1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1c(C)nn(C)c1C
Fragment 2: [1*]C(=O)C([6*])=O
### Response:
CCC[C@@H](Cc1ccccc1)NC(=O)C(=O)c1c(C)nn(C)c1C |
functional_group | ### Instruction:
Does the molecule contain a ether group?
Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NCC1(O)CCCCC1)C2=O
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [13*][C@H]1CC(c2ccccc2C)=NO1
Fragment 2: [1*]C(=O)C1([15*])CCN([5*])CC1
### Response:
CCOC(=O)C1(C[C@H]2CC(c3ccccc3C)=NO2)CCN(C(C)=O)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Cc1ncn(c1C)C[C@H]([NH2+]CC(=O)Nc1c(cccc1C)C)C
### Response:
Cc1cccc(C)c1NC(=O)C[NH2+][C@H](C)Cn1cnc(C)c1C |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)N(C(=O)c1ccc(CC#N)cc1)c1ccc(N2CCOCC2)cc1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
s1c(ccc1/C=C(/C#N)C(c1cc2c(o1)cccc2)=O)C
### Response:
Cc1ccc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)s1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)N(C(=O)CN(C)S(C)(=O)=O)c1cccc(C#N)c1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)C(=O)Oc1ccc2c(c1)ncn2C
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCO[C@H](C)[C@@H]1C
Fragment 2: [4*]Cc1cccc(F)c1Cl
### Response:
C[C@H]1OCCN(Cc2cccc(F)c2Cl)[C@H]1C |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[C@@](O)(C(=O)[O-])[C@H]1CCCc2ccccc21
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)[C@@H]1C[NH2+]CC[C@@H]1[C@@H]1CCCOC1
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(Nc1cccc(OC(F)(F)F)c1)c1cccc(C[NH+]2CCCC2)c1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(Cl)cc3Cl)n2)c(F)c1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
CC(C)[C@@H]([NH2+][C@@H](C)CS(C)(=O)=O)c1cccnc1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccn1
### Response:
5 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Cc1c(oc(C)n1)C(NCc1ccc(cc1)C[NH+]1CCCCCC1)=O
### Response:
Cc1nc(C)c(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)o1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@@H]1CCC[C@@H](NC(=O)c2ccc(NC(=O)c3cnoc3C)cc2O)C1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCC(=O)Nc1cc(-c2ccc(=O)n(CC(=O)Nc3c(F)cccc3F)n2)ccc1C
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
O=C(NCc1ccccn1)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cccc([N+](=O)[O-])c1
Fragment 2: [4*][C@H]([8*])CC
### Response:
CC[C@H](Nc1cc(C)cc(F)c1)c1cccc([N+](=O)[O-])c1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=C(Nc1ccc(Cl)nn1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]O[C@@H]1CC[C@@]23C(=O)O[C@@]4(CC[C@]2(O)C1)[C@H]3CC[C@]1(C)[C@H]([15*])CC[C@@H]14
Fragment 2: [1*]C(C)=O
### Response:
CC(=O)O[C@@H]1CC[C@@]23C(=O)O[C@@]4(CC[C@]2(O)C1)[C@H]3CC[C@]1(C)[C@H](C(=O)[O-])CC[C@@H]14 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1CC
Fragment 2: [1*]C(=O)c1ccc(OC)cc1OC
### Response:
CCc1ccccc1N1C[C@H](c2nnc(NC(=O)c3ccc(OC)cc3OC)s2)CC1=O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1cccc(OCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@@H](C)S(=O)(=O)C[8*]
Fragment 2: [5*]Nc1cc(C)ccc1C
### Response:
Cc1cc(C)c(CS(=O)(=O)[C@H](C)C(=O)Nc2cc(C)ccc2C)c(C)c1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[C@H](C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(N)=O
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc(C(=O)[O-])cc1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C([O-])CC1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H]1CCCSC1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc(C3CC3)[nH]n2)c1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1N(C(=O)[C@@H](NC(N2CCC([C@H](C)O)CC2)=O)C1)c1ccc(C)cc1
### Response:
Cc1ccc(N2CC[C@H](NC(=O)N3CCC([C@H](C)O)CC3)C2=O)cc1 |
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