task
stringclasses
5 values
input
stringlengths
89
339
functional_group
### Instruction: Does the molecule contain a nitrile group? CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)[C@@H](C)[NH+]3[C@H](C)CC[C@@H]3C)C2)c1 ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCOC(=O)[C@]1(C#N)C(N)=C(C#N)C2=C(CCCC2)[C@H]1c1ccccc1 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1cccc(NC2CCN(C(=O)NCc3cccc4ccccc34)CC2)[nH+]1 ### Response: 1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC(C)COC(=O)C[C@H]1C(=O)NCCN1C=C1C(=O)CC(C)(C)CC1=O ### Response: 0
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? Cc1cc(=O)oc2cc(NC(=O)[C@@H]([NH3+])Cc3c[nH]cn3)ccc12 ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)CC1CCC1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [3*]OCC Fragment 2: [16*]c1cc2oc(=O)cc(C)c2cc1CC ### Response: CCOc1cc2oc(=O)cc(C)c2cc1CC
functional_group
### Instruction: Does the molecule contain a ester group? O=C(Nc1nc(C(=O)N2CCN(c3ccccc3F)CC2)co1)c1cccs1 ### Response: No
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? CCC[NH+](CC(=O)N(C)c1nc2ccccc2s1)CC1CC1 ### Response: Yes
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [10*]N1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(C)cc1 Fragment 2: [14*]c1ccc(C)cn1 ### Response: Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)cn2)cc1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [15*]C1C(C)(C)C1(C)C Fragment 2: [5*]N1C[C@@H]([13*])[NH2+]C[C@H]1CC ### Response: CC[C@@H]1C[NH2+][C@H]([C@@H](C)CC)CN1C1C(C)(C)C1(C)C
functional_group
### Instruction: Does the molecule contain a amide group? O=C1CCc2cc(OCc3ccc(C(=O)Nc4cccc(NC(=O)C5CC5)c4)o3)ccc2N1 ### Response: Yes
functional_group
### Instruction: Does the molecule contain a amide group? C[C@@H]1CCC[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. c1cc(ccc1C)[C@@H](CNC(NCCC(=O)N(C)C)=O)N1CCOCC1 ### Response: Cc1ccc([C@@H](CNC(=O)NCCC(=O)N(C)C)N2CCOCC2)cc1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)C1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [3*]OCc1cnn([9*])n1 Fragment 2: [16*]c1ccccc1 ### Response: C[C@@H]1Oc2ccccc2O[C@H]1C(=O)OCc1cnn(-c2ccccc2)n1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1ccc(F)cc1 Fragment 2: [1*]C(=O)c1nc(C)n([9*])n1 ### Response: COc1ccc([C@@H](C)N(C)C(=O)c2nc(C)n(-c3ccc(F)cc3)n2)cc1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CCO[C@H]1C[C@H](NC(=O)NCc2ncn(C)n2)C12CCC2 ### Response: 0
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC[C@H]1C[NH2+][C@H](Cc2ccccc2)CN1c1ccn(C)n1 ### Response: 2
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCN[C@H]1c2cc(OC)ccc2C[C@H]1[NH+](CC)C(C)C ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*]Cc1nnc([14*])o1 Fragment 2: [5*]NCc1nnc([14*])o1 ### Response: CCOC(=O)C1(NCc2nnc(-c3cc(C)oc3C)o2)CCCC1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N[C@H]([8*])C(C)C Fragment 2: [8*]CCOC ### Response: COCCn1nc(C)c(NC(=O)N[C@H](c2nc(C)no2)C(C)C)c1C
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Nc1ccc(OC[C@@H]2CCCCO2)c(F)c1 ### Response: 1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. C[C@H]1[C@@H](C(=O)[O-])CC[NH+]1Cc1ccn(-c2ccccc2)n1 ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. n1(CCN2CCOCC2)c(C)cc2c(c1=O)[C@H](c1cc(OC)c(cc1)OC)C(=C(O2)N)C#N ### Response: COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCN4CCOCC4)c(=O)c32)cc1OC
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1ccc(NC(=O)CCNC(=O)Cc2coc(-c3ccccc3)n2)c(Cl)c1 ### Response: 2
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CN(C)C(=O)Nc1cccc(CN[C@H](Cc2ccccc2)C(F)(F)F)c1 ### Response: 0
canonicalization
### Instruction: Canonicalize the following SMILES string. Cn1c(cnc1NC(=O)c1ccccc1)-c1ccc(cc1)F ### Response: Cn1c(-c2ccc(F)cc2)cnc1NC(=O)c1ccccc1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCCCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cc2)C1 ### Response: 4
functional_group
### Instruction: Does the molecule contain a amide group? c1cn(C[C@H]2CCC[NH+](Cc3ccoc3)C2)nn1 ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [8*][C@@H](O)[C@@]1(C)CCCO1 Fragment 2: [8*][C@H](O)c1cccc([16*])c1 ### Response: C[C@]1([C@H](O)c2cccc(OC(F)(F)F)c2)CCCO1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [3*]Oc1ccc([16*])cc1 Fragment 2: [1*]C(C)=O ### Response: CC(=O)Oc1ccc(C(=O)n2c(C)nc3ccccc32)cc1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Nc1ccc2c(c1)CN(C(=O)c1ccc(Cl)cn1)CC2 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1cccc([N+](=O)[O-])c1 Fragment 2: [1*]C(=O)c1cccn([9*])c1=O ### Response: O=C(Nc1ccon1)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1ccc(Cl)cc1-n1ncc2c1ncn1nc([C@@H]3CCCO3)nc21 ### Response: 3
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? Cc1ccc2cccc(N[C@@H]3CCC[C@H]([NH3+])C3)c2n1 ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1cccc(CN(C)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)c1n[nH]c(=O)[nH]1 Fragment 2: [4*]CC(C)C ### Response: CC(C)COc1ccc(C(C)(C)CNC(=O)c2n[nH]c(=O)[nH]2)cc1
canonicalization
### Instruction: Canonicalize the following SMILES string. O1[C@@H]2C=C[C@]13CN(c1noc(c1)C)C(=O)[C@H]3[C@@H]2C(Nc1ccc(OC)cc1)=O ### Response: COc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@]4(CN(c5cc(C)on5)C(=O)[C@@H]24)O3)cc1
functional_group
### Instruction: Does the molecule contain a halide group? Cc1cccc2[nH]cc(CCNC(=O)N3CC[C@@](O)(C(F)(F)F)C3)c12 ### Response: Yes
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [14*]c1ccc(C)s1 Fragment 2: [3*]OC(C)C ### Response: CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(C)s2)NC(=O)N1C
ring_counting
### Instruction: Count the six-membered rings in the following molecule. C[C@H](NC(=O)c1n[nH]c2ccccc12)c1ccncc1 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCC[C@@H](C#N)NC(=O)CCn1cc[nH+]c1C(C)C ### Response: 5
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1ccc(N(C[C@H]2C=c3ccc(C)cc3=[NH+]C2=O)C(=O)C(C)C)c(C)c1 ### Response: 3
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCOc1cc(CN(C)c2ccc3nnc(C)n3n2)ccc1OC(F)F ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1ccc(Cl)c(OC(=O)/C=C/c2ccccc2)c1 ### Response: 3
functional_group
### Instruction: Does the molecule contain a ester group? CC1=C(C)C[C@@H](C(=O)[O-])[C@@H](C(=O)NCCN2CCOCC2)C1 ### Response: No
functional_group
### Instruction: Does the molecule contain a nitro group? O=C(OC[C@@H]1CC(=O)N(c2ccccc2)C1)[C@@H]1CCC[NH+]1Cc1ccccc1 ### Response: No
ring_counting
### Instruction: Count the six-membered rings in the following molecule. C[C@@H](NC(=O)NCC[S@](C)=O)c1ccc(F)cc1Cl ### Response: 1
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? CCN1CCc2nc3ccccc3c(C(=O)NC[C@@H]3COc4ccccc4O3)c2C1 ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? [NH3+]CC1(Cc2nc([C@@H]3CSCCO3)no2)CCCCC1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)CC[NH+]1CCCC1 ### Response: 2
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCCn1c(SC[C@@H]2N=C[C@H](c3ccc(F)cc3)O2)n[nH]c1=O ### Response: 2
functional_group
### Instruction: Does the molecule contain a halide group? C#CCn1cc(C[NH+](C)Cc2c(C(C)C)nn(C)c2Cl)cn1 ### Response: Yes
canonicalization
### Instruction: Canonicalize the following SMILES string. Fc1ccccc1N1C(/C(SC1=O)=C(/c1ccc(cc1)O)C)=O ### Response: C/C(=C1/SC(=O)N(c2ccccc2F)C1=O)c1ccc(O)cc1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)[C@@H](C)N[5*] Fragment 2: [16*]c1ccccc1C ### Response: Cc1ccccc1CCNC(=O)[C@@H](C)NC(=O)C1CCCC1
functional_group
### Instruction: Does the molecule contain a halide group? CC1(C)CN([C@@H]2CCN(c3ccccc3Cl)C2=O)CC[S@@]1=O ### Response: Yes
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N/C(N)=N/c1nc(C)cc(C)n1 Fragment 2: [16*]c1ccccc1 ### Response: Cc1cc(C)nc(/N=C(\N)Nc2ccc(-c3ccccc3)cc2)n1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)C1CCN(C([1*])=O)CC1 Fragment 2: [1*]C(=O)C1CCN([5*])CC1 ### Response: Cc1ccc([C@H](C)NC(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [8*]CCC#N Fragment 2: [3*]OCC ### Response: CCOC(=O)c1cc(-c2ccc(C)c([N+](=O)[O-])c2)nc2c1c(C)nn2CCC#N
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1ccccc1 Fragment 2: [16*]c1ccc(C)cc1 ### Response: Cc1ccc(C(=O)C2=C([O-])C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2)cc1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1cc([C@H](C)NC(=O)N2CC[C@H](C(=O)[O-])[C@@H]2C)c(C)s1 ### Response: 2
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1ccc(NC(=O)[C@@H]2CCN(S(C)(=O)=O)c3ccccc3O2)cc1C ### Response: 0
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1ccc(C(=O)/C(C#N)=c2\s/c(=C\c3ccc(C)cc3)c(=O)n2C)cc1 ### Response: 3
ring_counting
### Instruction: Count the five-membered rings in the following molecule. C[NH+](CCC1CC[NH2+]CC1)[C@H]1CCOC2(CCC2)C1 ### Response: 0
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1cc(C(F)(F)F)nc(SCC(=O)c2ccc3c(c2)OCO3)n1 ### Response: 2
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CC[C@H]1CN(c2ncnc3c2oc2ccccc23)[C@H](CC)CN1C(C)=O ### Response: 3
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@@H](C(=O)[O-])[C@@H](N[S@](=O)C(C)(C)C)C(C)(C)C ### Response: 5
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1ccccc1C Fragment 2: [1*]C(=O)c1cccc(OC)c1 ### Response: COc1cccc(C(=O)N2CCN(c3ccccc3C)C(=O)C2)c1
functional_group
### Instruction: Does the molecule contain a ketone group? N=C1NC(=O)N(CC2CC2)C12C1CC3CC(C1)CC2C3 ### Response: No
functional_group
### Instruction: Does the molecule contain a amide group? CC1(C)C[C@@H]1NC(=O)[C@@](C)(N)C(F)(F)F ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC[NH+](C)C[C@@H]1CCN(Cc2cc(O)ccc2Br)C1 ### Response: 2
functional_group
### Instruction: Does the molecule contain a amide group? C[C@@]1(c2ccccc2)NC(=O)N(Cc2csc(-c3ccsc3)n2)C1=O ### Response: Yes
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N1CCC([15*])CC1 Fragment 2: [3*]OCc1ccccc1OC ### Response: COc1ccccc1COC1CCN(C(=O)c2noc3c2CCCC3)CC1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCOc1ccccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@@H](C)C2 ### Response: 2
ring_counting
### Instruction: Count the six-membered rings in the following molecule. O[C@@]1(c2ccccc2)CN2C=CC=CC2=[N+]1Cc1ccccc1 ### Response: 3
canonicalization
### Instruction: Canonicalize the following SMILES string. C(=O)(c1cc(CSC[C@@H](C)CO)oc1C)NN ### Response: Cc1oc(CSC[C@@H](C)CO)cc1C(=O)NN
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C(Nc1c(F)cccc1F)N1CCN(C(=O)c2cccc(F)c2)CC1 ### Response: 1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. O=C(Nc1nnc(C2CC2)s1)c1ccccc1S(=O)(=O)N1CCCCC1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a amide group? O=C(C[C@@H]1SC(Cc2nc3ccccc3[nH]2)=NC1=O)Nc1ccc2ccccc2c1 ### Response: Yes
functional_group
### Instruction: Does the molecule contain a ether group? CCC[C@H](C)N(C)S(=O)(=O)c1ccc(CC(=O)[O-])s1 ### Response: No
ring_counting
### Instruction: Count the six-membered rings in the following molecule. COCc1cc(NC(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)ncn1 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. O=S(C)([C@H](C(=O)N1CCN(C(c2cccc(F)c2)=O)CC1)C)=O ### Response: C[C@@H](C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1)S(C)(=O)=O
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1nc2cccnc2n1C1CCN(C(=O)Nc2ccccc2Br)CC1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C(Nc1ccc(N2CCOCC2)nc1)c1cn(-c2ccccc2)nc1-c1ccccc1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [6*]C(=O)NC Fragment 2: [1*]C(=O)C[C@@H](C)C(C)C ### Response: CNC(=O)c1cc(OC)ccc1NC(=O)C[C@@H](C)C(C)C
functional_group
### Instruction: Does the molecule contain a hydroxyl group? C[C@H](CCCO)NC(=O)CC1=CCCCC1 ### Response: Yes
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [15*]C1CCCCC1 Fragment 2: [5*]N1CCN([5*])[C@@H](C)C1 ### Response: Cc1ccc(N2CCN(C(=O)NC3CCCCC3)C[C@@H]2C)cc1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1ccc(F)cc1 Fragment 2: [5*][NH2+][C@@H]1CCC[C@@H]1[15*] ### Response: NC(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)c1
functional_group
### Instruction: Does the molecule contain a ether group? CCOC(=O)NC(=S)n1ccc2ccccc21 ### Response: Yes
functional_group
### Instruction: Does the molecule contain a amide group? Cc1nc(CSCC(=O)N2CCCC[C@H]2c2nc3ccccc3s2)no1 ### Response: Yes
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC[NH+](CC)CCNC(=O)c1c[nH]c2c(C)cccc2c1=O ### Response: 0
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1ccc(NC(=S)N(Cc2ccccn2)C2CC2)c(C)c1 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. C([NH2+][C@@H](C(C)(C)C)C)CC(=O)Nc1c(c2CCCCc2s1)C#N ### Response: C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)C(C)(C)C
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? c1ccc(-n2cc(CNCCc3nc(-c4ccccn4)cs3)cn2)cc1 ### Response: 2
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCOc1cccc(-c2nc3cc(OC)c(OC)cc3c(=O)o2)c1 ### Response: 0
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [9*]n1cnnc1S[11*] Fragment 2: [16*]c1ccccc1 ### Response: COc1ccccc1-n1cnnc1SCc1coc(-c2ccccc2)n1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [7*]Cc1ccccc1 Fragment 2: [4*]Cc1ccccc1C#N ### Response: N#Cc1ccccc1CSc1nnc(NC(=O)/C=C/c2ccccc2)s1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [9*]n1cnc2ccccc21 Fragment 2: [1*]C(=O)C[8*] ### Response: C[C@H]1C[C@H](C)CN(C(=O)Cn2cnc3ccccc32)C1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [3*]Oc1cccc(C)c1 Fragment 2: [3*]OC(C)C ### Response: Cc1cccc(OCC(=O)NCc2ccc(OC(C)C)cc2)c1