task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[NH+](CC)[C@@H](CNC(=O)N1CCOCC[C@@H]1C)c1ccccc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(S(NC[C@@H](C#N)C)(=O)=O)ccc1OCC
### Response:
CCOc1ccc(S(=O)(=O)NC[C@H](C)C#N)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@H](C)CC[8*]
Fragment 2: [1*]C(=O)N([5*])C
### Response:
C[C@H](CCc1ccc(O)cc1)NC(=O)N(C)CCc1ccccn1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)(C)OC(=O)N1CCC[C@@H](COS(C)(=O)=O)C1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@H]1C[C@@H]1C1CCCCC1
Fragment 2: [16*]c1cccc(F)c1
### Response:
O=C(C[C@H](O)c1cccc(F)c1)N[C@H]1C[C@@H]1C1CCCCC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*][C@H]1CCO[C@@]2(CCOC2)C1
Fragment 2: [3*]O[C@H]1CCO[C@@]2(CCOC2)C1
### Response:
[NH3+]CC#Cc1ccccc1O[C@H]1CCO[C@@]2(CCOC2)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(c(ccc1)F)CC(=O)N[C@@H]1C[C@@H]1c1cc(Cl)ccc1
### Response:
O=C(Cc1ccccc1F)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(C)cc(-c2nc(-c3ccccc3OCC(Nc3ccc(cc3)[N+]([O-])=O)=O)on2)ccc1
### Response:
Cc1cccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O(C)C(=O)c1cc(ncc1)N1CCC[C@@H](C1)C(=O)c1ccccc1OC
### Response:
COC(=O)c1ccnc(N2CCC[C@H](C(=O)c3ccccc3OC)C2)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCC[4*]
Fragment 2: [5*][NH2+]C(C)C
### Response:
CC(C)[NH2+]CCOC(=O)c1ccc([N+](=O)[O-])cc1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
COC(=O)[C@@H](C)C[C@@H](O)c1cccc(C2CC2)c1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
C[C@H](CNC(=O)N(C)C[C@H]1CCC[NH+](C)C1)Sc1ccccc1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]CC/C([O-])=N/c1nc([14*])n[nH]1
Fragment 2: [8*]C(F)(F)F
### Response:
CCOc1ccc(CC/C([O-])=N/c2nc(C(F)(F)F)n[nH]2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
CCn1c(SCc2ncn(-c3ccccc3)n2)nc2ccccc2c1=O
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a ether group?
Cn1cc(C#N)c(=O)n(C[C@H](O)c2ccc(OC(F)(F)F)cc2)c1=O
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(ccc(cc1)[C@H](C1CC1)[NH2+][C@H](CO)C)C
### Response:
Cc1ccc([C@@H]([NH2+][C@@H](C)CO)C2CC2)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc([C@]2([NH3+])CC[C@@H]2C)cc1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C=C(C)CCc1cc(C)cc(C)c1
### Response:
4 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1([C@@H]2N(C(N[C@@H](C)C(OCC)=O)=O)CCC2)cc(C(C)C)no1
### Response:
CCOC(=O)[C@H](C)NC(=O)N1CCC[C@@H]1c1cc(C(C)C)no1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(c2c(n(nc2)C(C)C)nc(c1)C(C)C)C(=O)N1CCC(C1)(C)C
### Response:
CC(C)c1cc(C(=O)N2CCC(C)(C)C2)c2cnn(C(C)C)c2n1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC[C@@H](NC(=O)N(C)Cc1ccc(-c2ccccc2)cc1)c1ccncc1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12sc(cc2c(SCC(=O)N([C@H]2CS(CC2)(=O)=O)C)ncn1)-c1ccccc1
### Response:
CN(C(=O)CSc1ncnc2sc(-c3ccccc3)cc12)[C@@H]1CCS(=O)(=O)C1 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
Clc1ccc(-c2cnc(CSc3ncccn3)o2)cc1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC[C@H]1C(=O)NCCN1Cc1cn2ccccc2c1C#N
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H](O)CC(C)(C)CNC(=O)N1CCC[C@@H](O)C1
### Response:
5 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(c1c(ccc([N+](=O)[O-])c1)O[C@H](C)C(Nc1ccc(Cl)cc1)=O)=O
### Response:
C[C@@H](Oc1ccc([N+](=O)[O-])cc1C=O)C(=O)Nc1ccc(Cl)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@@H]1CCCN([5*])C1
Fragment 2: [1*]C(C)=O
### Response:
CC(=O)N[C@@H]1CCCN(C(=O)c2ccc(Br)nc2)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=S(=O)(Cc1nc(-c2ccco2)no1)Cc1ccccc1F
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [10*]N1C(=O)c2ccc(Br)cc2C1=O
Fragment 2: [16*]c1ccc(I)cc1
### Response:
O=C1c2ccc(Br)cc2C(=O)N1c1ccc(I)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc([16*])cc1
Fragment 2: [3*]OC1=NC(S[11*])=NN(C)C1
### Response:
CN1CC(Oc2ccc(Cl)cc2)=NC(SCC(=O)Nc2ccc(C(N)=O)cc2)=N1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]C[NH2+]C
Fragment 2: [16*]c1cc(F)c([16*])c(F)c1
### Response:
C[NH2+]Cc1cc(F)c(N2C[C@@H](C)[C@H](C)C2)c(F)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC(NC(c1cc(ccc1)NC(c1ccc(cc1)OC(C)C)=O)=O)C
### Response:
CC(C)NC(=O)c1cccc(NC(=O)c2ccc(OC(C)C)cc2)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+]1C[C@@H](C)C[C@H](C)C1
Fragment 2: [4*]CCN1C(=O)CNC1=O
### Response:
C[C@H]1C[C@H](C)C[NH+](CCN2C(=O)CNC2=O)C1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
COc1ccc([C@@H]2CCCN2C(=O)Nc2c(F)cccc2F)cc1OC
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(c(NC(=O)C(=O)N[C@H](Cc2cccs2)C)ccc1C)Cl
### Response:
Cc1ccc(NC(=O)C(=O)N[C@@H](C)Cc2cccs2)c(Cl)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cccc(NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1csc([14*])n1
Fragment 2: [5*]Nc1ccccc1
### Response:
O=C(Nc1ccccc1)c1csc(Nc2ccccc2)n1 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
c1ccc(C2=NCN(Cc3cnn(-c4ccccc4)c3)[C@H]2c2ncc[nH]2)cc1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCCNC(=O)Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cc([N+](=O)[O-])ccc1C
Fragment 2: [10*]N1C(=O)[C@@H]2[C@H]3CCCN3[C@@]3(C(=O)Nc4ccc(C)cc43)[C@@H]2C1=O
### Response:
Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@H]2CCCN21 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
S(c1cc(C)c2c(n1)ccc(c2)S(N1CCOCC1)(=O)=O)CC(=O)Nc1cc(ccc1)Cl
### Response:
Cc1cc(SCC(=O)Nc2cccc(Cl)c2)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
CC1(C)C(=O)N(CC2(CC(N)=S)CC2)S1(=O)=O
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1CCC[NH+](C[C@@H](C)NC(=O)C(=O)Nc2cccnc2Cl)C1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[NH3+][C@@H]1[C@H](O[C@H](C1)n1ccc([nH]c1=O)=O)COCc1ccccc1
### Response:
[NH3+][C@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COCc1ccccc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH+]1CCC(=NNC(=O)C(=O)NC2CCCCC2)CC1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN(CCCn1cc[nH+]c1)C(=O)NC[C@H]1CN2CCCC[C@@H]2CO1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
COCCNC(=O)Cc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
COc1ccc(Br)cc1/C=C/C(=O)N1CCN(C(=O)c2ccccc2)CC1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COC(=O)c1cc([N+](=O)[O-])ccc1N(C)Cc1ccccc1O
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C[8*]
Fragment 2: [16*]c1ccc(Cl)cc1
### Response:
Cc1c(CC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])c(=O)oc2cc(O)c(Cl)cc12 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CO[C@@H](C)c1noc(-c2nn(-c3ccccc3)cc2[O-])n1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12ncccn2nc(C(Nc2nn(Cc3c(cccc3)C)c(C)c2)=O)n1
### Response:
Cc1ccccc1Cn1nc(NC(=O)c2nc3ncccn3n2)cc1C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1C[C@H]([NH2+]Cc2cnccc2)[C@@H](CC1)C
### Response:
C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1nc(N2CCOCC2)c2c(C)c(C(=O)Nc3cccc(Cl)c3C)sc2n1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1noc([14*])n1
Fragment 2: [8*]C(C)(C)C
### Response:
CC(C)(C)c1nc(CN2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3C4)CC2)no1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@@H]1CCCC[C@H]1[15*]
Fragment 2: [1*]C(=O)c1ccco1
### Response:
O=C(Nc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1)c1ccco1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
Cc1nc(C[C@@H](C[NH3+])c2ccc(Cl)cc2)sc1C
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(NC(=O)c2c(n(nc2)C)C(F)(F)F)ccc1I
### Response:
Cn1ncc(C(=O)Nc2ccc(I)cc2)c1C(F)(F)F |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C[C@@H]1CC([NH+]2CCC[C@@H]2c2cccc3c2OCCO3)C[C@@H](C)O1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
C[C@H]1CN(C(=O)c2cccc3[nH]ccc23)C[C@H](c2ccc(F)cc2)O1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@@H](C)c1ccc(Cl)s1
Fragment 2: [14*]c1ccc(Cl)s1
### Response:
C[C@H]([NH2+]CC(=O)N(C)C)c1ccc(Cl)s1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(-c2noc([C@@H](CNC(N3C[C@H](CC[C@@H]3C)C)=O)C)n2)ccc1
### Response:
C[C@H]1CC[C@H](C)N(C(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[NH+]1([C@H](CNC([C@@H](C)CC)=O)c2occc2)CCCC1
### Response:
CC[C@H](C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
O=C(NCc1nc2ccccc2[nH]1)[C@@H]1CCCC[NH+]1Cc1ccncc1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
N#C[C@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCCO4)[nH]c(=O)c2[C@H]1c1ccc(F)cc1
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1ccccc1
Fragment 2: [5*]N[C@@H]1CCC[NH+]([5*])C1
### Response:
C[C@@H](O)CC(C)(C)CN[C@@H]1CCC[NH+](Cc2ccccc2)C1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
O=C(NCCc1nc2ccccc2s1)c1cc(C2CC2)[nH]n1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(c2cc(ccc2[nH]c1C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1)C
### Response:
Cc1[nH]c2ccc(C(=O)Nc3cc(C(C)(C)C)nn3-c3ncccn3)cc2c1C |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
C[C@]1(c2ccccc2F)C[NH+]=C(N)N1C[C@H]1CCCO1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
C[C@@H]1CCCC[C@@H]1NC(=S)Nc1ccc(OC(F)F)cc1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[C@@H](COCC1)[C@H]([NH3+])Cc1c(F)cccc1F
### Response:
[NH3+][C@H](Cc1c(F)cccc1F)[C@H]1CCCOC1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CN1C(=O)/C(=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc21
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Sc1nnnn1C(C)(C)C
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]Cc1ccncc1
Fragment 2: [8*]Cn1c(C)c(C)c2c1ncn1nc([14*])nc21
### Response:
Cc1c(C)n(Cc2ccncc2)c2ncn3nc(-c4ccc(Cl)cc4Cl)nc3c12 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(OC)cc1CCl
Fragment 2: [4*]Cc1cccc(OC)c1
### Response:
COc1cccc(COc2ccc(OC)cc2CCl)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12c(cccc2)n(CCCOCC)/c(=N/C(=O)[C@@H](C)NC(=O)N)[nH]1
### Response:
CCOCCCn1/c(=N/C(=O)[C@@H](C)NC(N)=O)[nH]c2ccccc21 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCN(CCO)C(=O)Nc1nc(C)cs1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(ccc1Cl)[C@@H](C)NC(NCc1cc(ncc1)-n1nccc1)=O
### Response:
C[C@@H](NC(=O)NCc1ccnc(-n2cccn2)c1)c1ccc(Cl)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH2+][C@@]1([15*])CC[C@H]([15*])C1
Fragment 2: [11*]Sc1ccccn1
### Response:
CC(C)[NH2+][C@@]1(C(=O)[O-])CC[C@H](Sc2ccccn2)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@H]1(C)[C@H](C(=O)NCC(=O)[O-])CCCC1
### Response:
C[C@@H]1CCCC[C@H]1C(=O)NCC(=O)[O-] |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cccc(C(N)=O)c1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
N#CCCCN1CCC(=O)Nc2cc(F)ccc21
### Response:
4 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C1CCCC2=C1[C@@H](c1ccc([N+](=O)[O-])o1)Nc1ccc(C(=O)c3ccccc3)cc1N2
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCOc1ccccc1NC(=O)[C@@H]1CC(c2ccccc2)=NO1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCc1ccc(N[5*])cc1
Fragment 2: [1*]C(=O)c1ccc(C=O)cc1
### Response:
O=Cc1ccc(C(=O)NCc2ccc(NC(=O)c3cccnc3)cc2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC(=O)Nc1cccc(N(CN2C(=O)c3ccccc3C2=O)C(C)=O)c1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cn1c(C(=O)Nc2cc(Cl)ccc2Cl)cc2occc21
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC(c1nc(SCC(Nc2ccc(S(=O)(N)=O)cc2)=O)[nH]n1)(C)C
### Response:
CC(C)(C)c1n[nH]c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
COc1ccccc1NC(=O)[C@]1(C)Sc2ccccc2NC1=O
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H](NC(=O)Nc1ccc(OCCC(N)=O)cc1)c1ccc(Cl)cc1
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)Cn1cc[nH+]c1CN[C@@H](c1ccccc1)C(C)C
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
CCOC(=O)c1cnn(C(=O)OCC)c1N
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(CC[NH+]1CCN(c2cnccn2)CC1)Nc1ccccc1-c1ccccc1
### Response:
4 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cccc(c1)CNC(c1cccc(c1)-n1nnnc1C)=O
### Response:
Cc1nnnn1-c1cccc(C(=O)NCc2ccccc2)c1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
COC(=O)c1cc2c(cc1NC(=O)c1c(C)nn(-c3ccccc3)c1-n1cccc1)OCO2
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cccc(N/C([S-])=C(\C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccccc2)c1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
COc1ccc(NC(=O)[C@H](C)c2ccccc2)cc1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NC1=[NH+][C@@H](c2ccc(C)cc2)n2c(nc(C)cc2=O)N1
Fragment 2: [4*]Cc1ccco1
### Response:
Cc1ccc([C@@H]2[NH+]=C(NCc3ccco3)Nc3nc(C)cc(=O)n32)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@H](NC(=O)N[C@H](C)CCCO)c1cccs1
### Response:
5 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)N1CCN(C(=O)CSc2nc3ccccc3c(=O)n2[C@H]2CCC[C@@H](C)[C@H]2C)CC1
### Response:
2 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.