task
stringclasses
5 values
input
stringlengths
89
339
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CN(CC(=O)N(c1ccccc1)[C@H]1CCS(=O)(=O)C1)Cc1nc2ccccc2s1 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCCC(=O)N1CCC[C@@H]1C(=O)O[C@H](C)c1cccc(F)c1 ### Response: 4
functional_group
### Instruction: Does the molecule contain a halide group? NC(=O)c1ccc(C(=O)NCC2(c3cccc(F)c3)CCOCC2)cc1 ### Response: Yes
canonicalization
### Instruction: Canonicalize the following SMILES string. CC(C)[C@H]1CN(C(c2ccnn2C)=O)CCC(=O)N1Cc1ccc(F)cc1 ### Response: CC(C)[C@H]1CN(C(=O)c2ccnn2C)CCC(=O)N1Cc1ccc(F)cc1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1ccccc1 Fragment 2: [3*]O[C@H]([8*])C([6*])=O ### Response: O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccco1
functional_group
### Instruction: Does the molecule contain a ketone group? COc1cccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3onc(C)c32)c1OC ### Response: Yes
functional_group
### Instruction: Does the molecule contain a ketone group? C[C@@H](NC(=O)N1CCCCCCC1)[C@@H]1CCCO1 ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. O1[C@H]([C@H](CCCC)CC)O[C@@H](C1)C[NH+]1CCCCC1 ### Response: CCCC[C@H](CC)[C@H]1OC[C@@H](C[NH+]2CCCCC2)O1
functional_group
### Instruction: Does the molecule contain a hydroxyl group? O=C(C[NH+]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1)Nc1cccc(F)c1 ### Response: No
ring_counting
### Instruction: Count the five-membered rings in the following molecule. O=C(CSCC(F)(F)F)N[C@H]1C[C@H]1c1ccccc1 ### Response: 0
functional_group
### Instruction: Does the molecule contain a ether group? O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(N2CCCC2)nc1 ### Response: No
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COc1cc(F)cc(CNC(=O)C(=O)Nc2cccc3cccnc23)c1 ### Response: 0
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC(=O)N1CCC(CCC(=O)N2CCCCC[C@@H]2c2cccc(C)c2)CC1 ### Response: 3
functional_group
### Instruction: Does the molecule contain a amide group? O=C(NCc1nnc2n1CCCCC2)c1cn(CC[C@@H]2CCCC[NH2+]2)nn1 ### Response: Yes
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1cc(NC(=O)Nc2ccoc2C)no1 ### Response: 0
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC(C)(C)NC(=O)COc1ccc(Cl)cc1C(N)=O ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1ccc(F)cc1 Fragment 2: [3*]OCC#N ### Response: Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)OCC#N
functional_group
### Instruction: Does the molecule contain a amide group? CCn1cnnc1CNC(=O)NC[C@H]1C[C@]12CCc1ccccc12 ### Response: Yes
functional_group
### Instruction: Does the molecule contain a amine group? CCc1nc(-c2csc(S(=O)(=O)N3CCC[C@H](C(=O)Nc4ccc(F)c(Cl)c4)C3)c2)no1 ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [6*]C(=O)NNC(=O)CCC Fragment 2: [9*]n1c([O-])c([16*])c(=O)c2ccccc21 ### Response: CCCC(=O)NNC(=O)c1c([O-])n(CCC)c2ccccc2c1=O
canonicalization
### Instruction: Canonicalize the following SMILES string. C(C(N)=S)[C@@H](C)NC(C[C@@H]1OCCCC1)=O ### Response: C[C@H](CC(N)=S)NC(=O)C[C@H]1CCCCO1
canonicalization
### Instruction: Canonicalize the following SMILES string. N1(CCN(C)CC1)C(CC1CC[NH+](CC1)[C@@H]1CC(C)(C)C[C@@H](C)C1)=O ### Response: C[C@H]1C[C@H]([NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)CC(C)(C)C1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C#CCN(CC(=O)[O-])C(=O)C(C)(C)[NH2+]CC ### Response: 3
functional_group
### Instruction: Does the molecule contain a ketone group? C=CCO/N=C1\C[C@H]2[C@@H](C[C@@]1(C)[NH+](C)C)C2(C)C ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. c1cc(-c2n[nH]c(CNC(=O)N3[C@@H](COCC3)C3CC3)n2)oc1 ### Response: O=C(NCc1nc(-c2ccco2)n[nH]1)N1CCOC[C@H]1C1CC1
functional_group
### Instruction: Does the molecule contain a sulfonyl group? CCCNC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1 ### Response: Yes
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [12*]S(=O)(=O)c1cc([N+](=O)[O-])c([16*])cc1C Fragment 2: [5*]N(C)CC ### Response: CCNc1cc(C)c(S(=O)(=O)N(C)CC)cc1[N+](=O)[O-]
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC(C)[S@@](=O)c1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1 ### Response: 0
canonicalization
### Instruction: Canonicalize the following SMILES string. CC[C@]1(OCC[C@@H](C1)[C@@](C(OC)=O)(O)C(C)C)C ### Response: CC[C@]1(C)C[C@@H]([C@](O)(C(=O)OC)C(C)C)CCO1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. C[C@@H]1CC[C@H](C)N1C(=O)c1cnc(Oc2ccccc2)cn1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [8*]C(C)(C)C Fragment 2: [1*]C(=O)c1cc([14*])nn1C ### Response: Cn1nc(C(C)(C)C)cc1C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccc(F)cc3)c3ccccc32)cc1 ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)c1cc(S(=O)(=O)N[5*])ccc1OC Fragment 2: [5*]Nc1cc(Cl)cc(Cl)c1 ### Response: COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1C(=O)N1CCCCCC1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC(C)C[C@H](CNC(=O)c1ccn(-c2ccccc2)n1)[NH+](C)C ### Response: 5
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC1(C)CCCC[C@@H]1[NH+]1CCCN2CCCC[C@@H]2C1 ### Response: 1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CO[C@@H](C)C(=O)N[C@H](C)c1ccc2ccccc2c1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]NC[C@H]1C[C@H]1[15*] Fragment 2: [4*]C1([15*])CCCC1 ### Response: Cc1nc(C2(NC(=O)NC[C@H]3C[C@H]3c3ccccc3)CCCC2)no1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CCOc1ncnc(N2CCCC[C@@H]2CCO)c1N ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CCOc2c(F)cc(Br)cc21 ### Response: 3
functional_group
### Instruction: Does the molecule contain a amide group? CCn1ccc(C(=O)N2C[C@@H](c3cc(F)cc(F)c3)[C@@]3(CCCCC(=O)N3)C2)n1 ### Response: Yes
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCc1noc(CC)c1CNC(=O)Nc1cnn(C[C@@H]2CCCO2)c1 ### Response: 3
canonicalization
### Instruction: Canonicalize the following SMILES string. c1(nn2c(s1)nc(NC(=O)OC)c2)SCCC ### Response: CCCSc1nn2cc(NC(=O)OC)nc2s1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@H](NC(=O)c1cc(C(N)=O)cn1C)c1ccc(F)cc1F ### Response: 2
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1cc(CNC(=O)c2scnc2C2CC2)ccc1F ### Response: 1
functional_group
### Instruction: Does the molecule contain a ester group? C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cccs1 ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N(C)CCO Fragment 2: [1*]C(=O)[C@H]1CC[NH2+][C@@H]1C ### Response: C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)CCO
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1cc(NC(=O)N[C@H](C)Cc2c(Cl)cccc2Cl)nn1C ### Response: 1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC[C@H](CSC)N(C)C(=O)c1ccc(C)nc1C ### Response: 0
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [11*]Sc1ccccc1 Fragment 2: [14*]c1ccc([N+](=O)[O-])c[nH+]1 ### Response: O=[N+]([O-])c1ccc(NCCSc2ccccc2)[nH+]c1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)C([6*])=O Fragment 2: [16*]c1ccc(C)cc1 ### Response: Cc1ccc(C(=O)C(=O)N(C)[C@@H]2CCC[C@H](C)C2)cc1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COC(=O)c1cc(Br)ccc1N1CCOCC1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CS[C@H]1CC[C@@H]([NH2+][C@H](C)c2cnc(C)s2)C1 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC(C)C[C@H](NC(=O)N[C@H](C)C(C)(C)C)C(=O)N1CCC(CO)CC1 ### Response: 5
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N1CC[C@H]([15*])C1 Fragment 2: [5*][NH+](CC)CC ### Response: CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2cc(F)ccc2Cl)C1
functional_group
### Instruction: Does the molecule contain a hydroxyl group? Cc1cccc(CCN2CC(=O)CC2=O)c1 ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [14*]c1cccs1 Fragment 2: [1*]C(=O)c1cnc(N[5*])nc1 ### Response: CO[C@@H](CNC(=O)c1cnc(Nc2ccccc2)nc1)c1cccs1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)[C@H]1OCCc2ccccc21 Fragment 2: [5*]N1CCC([15*])CC1 ### Response: C[NH+]1CCc2nc(C3CCN(C(=O)[C@H]4OCCc5ccccc54)CC3)ncc2C1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N(C)c1ncnc([14*])c1[N+](=O)[O-] Fragment 2: [16*]c1ccc(CC)cc1 ### Response: CCc1ccc(Nc2ncnc(N(C)Cc3ccccc3)c2[N+](=O)[O-])cc1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [8*]C(C)(C)C Fragment 2: [9*]n1cc([16*])cn1 ### Response: CCc1nn(C)c(CC)c1CNC(=O)Nc1cnn(C(C)(C)C)c1
functional_group
### Instruction: Does the molecule contain a ester group? CC[C@@H](NC(=O)c1ccc2c(c1)ncn2C(C)C)C(=O)OC ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1ccccc1CC(=O)Nc1ccc(OC(C)C)cc1 ### Response: 3
canonicalization
### Instruction: Canonicalize the following SMILES string. Fc1ccc(cc1F)N(C(=O)C1CC=CC1)CC ### Response: CCN(C(=O)C1CC=CC1)c1ccc(F)c(F)c1
functional_group
### Instruction: Does the molecule contain a halide group? CCc1onc(C)c1NC(=O)NCC(C)(C)c1ccc(Cl)cc1 ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1ccc(-c2c[nH+]cc([O-])c2)cc1C ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. O=C(CSc1ccccc1OC)Nc1scc(C[NH+]2CCC(CC2)C)n1 ### Response: COc1ccccc1SCC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1ccn2c(NC(=O)c3ccccc3[N+](=O)[O-])c(-c3ccccc3)nc2c1 ### Response: 3
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCOc1ccc(NCc2cnc(-c3cccnc3)s2)cc1 ### Response: 2
ring_counting
### Instruction: Count the six-membered rings in the following molecule. O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccccc1F ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N1CCN([5*])[C@@H]([13*])C1 Fragment 2: [8*]CCO ### Response: O=C(CO)N1CCN(Cc2ccc(F)c(F)c2)[C@@H](CCO)C1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@@H](O)[C@H]1CCC[NH+]([C@@H](C)c2nnc(-c3cccc(Cl)c3)o2)C1 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCC(=O)NCCOc1ccc2nnc(-c3ccc(F)cc3)n2n1 ### Response: 3
functional_group
### Instruction: Does the molecule contain a amide group? Cc1cccc([C@H](C)[S@@](=O)CC(=O)N2CCC[C@H](C(N)=O)C2)c1 ### Response: Yes
canonicalization
### Instruction: Canonicalize the following SMILES string. C([C@@H]1CC=CCC1)N(C(NC)=S)C[C@@H]1OCCC1 ### Response: CNC(=S)N(C[C@@H]1CC=CCC1)C[C@H]1CCCO1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*]CC1([15*])CCOCC1 Fragment 2: [4*][C@H](C)c1c(C)noc1C ### Response: Cc1noc(C)c1[C@@H](C)NC(=O)NCC1(c2cccc(F)c2)CCOCC1
canonicalization
### Instruction: Canonicalize the following SMILES string. COc1c(cc2c([C@H](c3cc(c(OC)cc3)OC)N(c3ccccc3)C(=O)C2)c1)OC ### Response: COc1ccc([C@H]2c3cc(OC)c(OC)cc3CC(=O)N2c2ccccc2)cc1OC
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [9*]n1cccc([16*])c1=O Fragment 2: [4*]CCO ### Response: CN(CCO)C(=O)Nc1cccn(Cc2ccccc2)c1=O
ring_counting
### Instruction: Count the six-membered rings in the following molecule. N#Cc1ccc(NCC(=O)N2CC[NH+](C3CC3)CC2)cc1 ### Response: 2
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CCOc1cc(/C=C2/NC(=S)N(c3ccc(OC)cc3)C2=O)ccc1O ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1cc(C)cc(NC(=O)CSc2nnc(NC(=O)CC(C)C)s2)c1 ### Response: 4
functional_group
### Instruction: Does the molecule contain a ester group? CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(Br)c2)C[C@H]1C(=O)[O-] ### Response: Yes
ring_counting
### Instruction: Count the five-membered rings in the following molecule. O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCC[C@@H]2CCCC[C@@H]21 ### Response: 0
ring_counting
### Instruction: Count the five-membered rings in the following molecule. O=C(Nc1ccccc1F)N1CCN(c2nc3cc(Br)ccc3n3cccc23)CC1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a carboxyl group? CCCn1nc(C(=O)Nc2cc(Cl)ccc2O)ccc1=O ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)c1ccc([16*])c([16*])c1 Fragment 2: [3*]OCC ### Response: CCOc1ccc(C(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1OCC
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*][C@H](C)c1ccc(OC)cc1 Fragment 2: [5*][NH2+]Cc1ccc(F)cc1 ### Response: COc1ccc([C@@H](C)[NH2+]Cc2ccc(F)cc2)cc1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCOC(=O)N1CC[NH+]([C@H](C)Cc2ccc(F)cc2)CC1 ### Response: 3
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CSCc1ccc(NC(=O)N2CCN(c3nccs3)CC2)cc1 ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. c1c(cc(F)cc1F)[C@@H](C)Nc1ccc(cc1C)C([O-])=O ### Response: Cc1cc(C(=O)[O-])ccc1N[C@H](C)c1cc(F)cc(F)c1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1(c(cccc1C(=O)N1C[C@@H](Cc2ccccc2)OCC1)F)F ### Response: O=C(c1cccc(F)c1F)N1CCO[C@H](Cc2ccccc2)C1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)C[4*] Fragment 2: [11*]Sc1nnc([14*])n1C ### Response: Cn1c(SCC(=O)Nc2cc(=O)n(C)c(=O)n2C)nnc1-c1ccccc1Br
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)C1=Cc2cc(OC)ccc2OC1 Fragment 2: [3*]OCc1ccnc(Cl)c1 ### Response: COc1ccc2c(c1)C=C(C(=O)OCc1ccnc(Cl)c1)CO2
functional_group
### Instruction: Does the molecule contain a carboxyl group? Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](CO)CC(C)(C)C ### Response: No
functional_group
### Instruction: Does the molecule contain a amide group? Cc1noc(-c2cccnc2N2CC[C@H](NC(=O)COc3ccc(F)cc3)C2)n1 ### Response: Yes
canonicalization
### Instruction: Canonicalize the following SMILES string. C(N[C@H]1[C@@H](C(=O)[O-])CCCCC1)(=O)c1cnn(C)c1 ### Response: Cn1cc(C(=O)N[C@@H]2CCCCC[C@@H]2C(=O)[O-])cn1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1cc2ccsc2n1Cc1ccccc1F ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1cc(F)ccc1[C@H](CNC(NNc1ccc(F)cc1)=O)[NH+](C)C ### Response: C[NH+](C)[C@@H](CNC(=O)NNc1ccc(F)cc1)c1ccc(F)cc1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1nc2ccccc2s1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)c1cccc2ccccc12 Fragment 2: [5*]NCc1ccc([16*])cc1 ### Response: COC(=O)c1ccc(CNC(=O)c2cccc3ccccc23)cc1
functional_group
### Instruction: Does the molecule contain a nitro group? Cc1cc(Oc2ncnc(NC(C)C)c2[N+](=O)[O-])cc(C)c1Cl ### Response: Yes
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? Cc1cc2[nH]c3c4ccccc4[nH+]c(C)c3c2cc1C ### Response: Yes