task
stringclasses
5 values
input
stringlengths
89
339
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@](C)(C(=O)NCc2ccc(C)cc2)C3)cc1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [6*]C(=O)NC Fragment 2: [8*]Cc1ccc(OC)cc1 ### Response: CNC(=O)[C@@H]1CC(=O)N(Cc2ccc(OC)cc2)/C(=N/c2cccc(C(F)(F)F)c2)S1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. C[C@H](c1cccs1)N(C)C(=O)c1nc(C(C)(C)C)n[nH]1 ### Response: 0
canonicalization
### Instruction: Canonicalize the following SMILES string. C1[C@@H](O)[C@@H](O)[C@@H]([C@@H](O1)Oc1cc2c(cc1)c(-c1ccccc1)cc(=O)o2)O ### Response: O=c1cc(-c2ccccc2)c2ccc(O[C@@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)cc2o1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. COc1ccc(CN2CCC[C@H](c3nnc(C[NH+](C)C)n3C)C2)c(F)c1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1ccc2ccccc2c1 Fragment 2: [8*]C/C=N/NC(=O)C[8*] ### Response: O=C(Cc1ccc2ccccc2c1)N/N=C/Cc1ccccc1
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? Cc1ccccc1[C@@H]1CCCN1C(=O)c1cc(C#N)cs1 ### Response: Yes
functional_group
### Instruction: Does the molecule contain a aldehyde group? CC/[NH+]=C(/NC[C@H](C(C)C)[NH+]1CCC(C)CC1)N1CC[C@@H](O)C1 ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? NC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*][C@@H](C)c1cccc(S(N)(=O)=O)c1 Fragment 2: [5*]N(C)C[8*] ### Response: C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)Cc1ccccc1Br
functional_group
### Instruction: Does the molecule contain a amide group? O=C(NCc1ccccn1)c1nn(CCc2ccccc2)c2c1CN(C(=O)c1ccccn1)CC2 ### Response: Yes
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [3*]OCC Fragment 2: [1*]C(=O)CC[C@H](C)N[5*] ### Response: CCOC(=O)CC[C@H](C)NC(=O)Nc1cccc(Cl)c1
canonicalization
### Instruction: Canonicalize the following SMILES string. O=C(CCSc1n(N)c(C(F)(F)F)nn1)N[C@@H](C)c1ccccc1 ### Response: C[C@H](NC(=O)CCSc1nnc(C(F)(F)F)n1N)c1ccccc1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)c1cc([14*])nn1CC Fragment 2: [8*]CC(C)C ### Response: CCn1nc(CC(C)C)cc1C(=O)N[C@@H]1CCC[NH+](Cc2cccnc2)C1
functional_group
### Instruction: Does the molecule contain a amide group? COc1cccc2cc(C[NH+](C)[C@@H](C)c3cccc(S(N)(=O)=O)c3)oc12 ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. C(C)c1nc(no1)C[NH+]1CCC[C@@H](NCc2nc(c(o2)C)C)C1 ### Response: CCc1nc(C[NH+]2CCC[C@@H](NCc3nc(C)c(C)o3)C2)no1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1ccc(C(=O)NCCC2=NN[C@H]3CC[NH+](Cc4cc5ccccc5[nH]4)CCN23)cc1 ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. c1cccnc1-c1n[nH]cc1NC(N1CCC[C@@H]1CSC)=O ### Response: CSC[C@H]1CCCN1C(=O)Nc1c[nH]nc1-c1ccccn1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. O=C1CC[C@H](C(=O)N2CCC(Cn3cccn3)CC2)CN1CC1CCCCC1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [3*]OCC Fragment 2: [1*]C(=O)c1cccnc1[14*] ### Response: CCOc1ncccc1C(=O)Nc1cc([N+](=O)[O-])c(F)cc1F
canonicalization
### Instruction: Canonicalize the following SMILES string. C(COc1cc(C(C2[C@H](N(C(C=2[O-])=O)c2nc3ccc(C)cc3s2)c2ccncc2)=O)ccc1)C ### Response: CCCOc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccncc2)c1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC[NH+]1CCC(CCNC(=O)[C@@H](C)c2ccc3ccccc3c2)CC1 ### Response: 3
canonicalization
### Instruction: Canonicalize the following SMILES string. C1O[C@H](CN(C)C1)C(c1cc2ccccc2nc1)=O ### Response: CN1CCO[C@@H](C(=O)c2cnc3ccccc3c2)C1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. O=C(N[C@H]1CCCC[C@H]1OC1CCCC1)c1ccc([N+](=O)[O-])cc1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)c1cccc([14*])n1 Fragment 2: [5*]NC[C@@H]1COc2cc(OC)ccc2C1 ### Response: COCc1cccc(C(=O)NC[C@@H]2COc3cc(OC)ccc3C2)n1
functional_group
### Instruction: Does the molecule contain a amide group? COc1cccc(CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1 ### Response: No
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCC[C@@H](NC(=O)c1cnc([C@@H]2CCCO2)s1)c1nnn[n-]1 ### Response: 3
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COC(=O)C[C@H]1CCCCN1C(=O)/C=C/c1cn(C)c2ccccc12 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. Cc1cc(c(C)o1)[C@](CNC(N[C@@H](C)C[NH+]1CCC[C@@H](C1)C)=O)(C)O ### Response: Cc1cc([C@](C)(O)CNC(=O)N[C@@H](C)C[NH+]2CCC[C@H](C)C2)c(C)o1
functional_group
### Instruction: Does the molecule contain a halide group? CC(C)N(C)C(=O)NCc1ccnc(OC(C)(C)C)c1 ### Response: No
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1cccc(CNS(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)CS3)c1 ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. c1cc2c(cccc2cc1)S(=O)(=O)N(c1c(cccc1)OC)C ### Response: COc1ccccc1N(C)S(=O)(=O)c1cccc2ccccc12
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1cccc(C)c1NC(=O)[C@H]1Cc2ccccc2O1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC(C)N(C)c1ccc(F)cc1C[NH3+] ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]NS(=O)(=O)c1ccc2c(c1)CCCC2 Fragment 2: [9*]n1nc(C)cc1C ### Response: Cc1cc(C)n(Cc2cccc(CNS(=O)(=O)c3ccc4c(c3)CCCC4)c2)n1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [3*]Oc1ccc(C[4*])cc1 Fragment 2: [5*]N1CCC[C@@H]([15*])C1 ### Response: Cc1noc([C@@H]2CCCN(C(=O)NCc3ccc(OC(C)C)cc3)C2)n1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [8*]Cn1cc(I)c2c(Cl)ncnc21 Fragment 2: [8*]Cc1ccccc1 ### Response: Clc1ncnc2c1c(I)cn2Cc1ccccc1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1nc(CCCn2c3c(sc2=O)C[C@H](C)CC3)cs1 ### Response: 3
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCn1nc(C)c2nc(CCCl)n(C[C@@H]3COCCO3)c21 ### Response: 2
functional_group
### Instruction: Does the molecule contain a ether group? COC(=O)C1=C([O-])CCCC/C=C\1C(=O)OC ### Response: Yes
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)C[4*] Fragment 2: [8*]CCCC ### Response: CCCCn1c(N)c(N(C)C(=O)CSc2ccc(F)cc2)c(=O)[nH]c1=O
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COCC[NH+](C)CC(=O)Nc1c(C)cc(C)cc1Cl ### Response: 2
functional_group
### Instruction: Does the molecule contain a ester group? C[C@@H]1C[C@H]1C(=O)OCCN(C)S(=O)(=O)N1CCOCC1 ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1nnc(-c2ccccc2/C=C/c2ccccc2)o1 ### Response: 2
ring_counting
### Instruction: Count the six-membered rings in the following molecule. COc1cccc(CN2CCC[NH+](CC(=O)Nc3ccc(F)cc3)S2(=O)=O)c1 ### Response: 3
functional_group
### Instruction: Does the molecule contain a carboxyl group? C[C@H]1CCC(=O)[C@H]([C@]2(O)C(=O)Nc3ccc(Br)cc32)C1 ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [8*]Cc1cccc(C)n1 Fragment 2: [6*]C(=O)c1ccn(C[8*])c1 ### Response: Cc1cccc(Cn2ccc(C(=O)C3CC3)c2)n1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)c1ccc(F)c(Cl)c1 ### Response: 1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1[nH+]cccc1[O-] ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*]CCC Fragment 2: [4*]CC[NH+](C)C ### Response: CCCN(CC[NH+](C)C)C(=O)c1cnn2cc(Br)cnc12
ring_counting
### Instruction: Count the six-membered rings in the following molecule. COc1ccc(-c2cc3c(N4CCC[C@@H](C(=O)[O-])C4)nccn3n2)cc1OC ### Response: 3
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1cccc(OCC(=O)NCc2ccc(OC(C)C)cc2)c1 ### Response: 2
functional_group
### Instruction: Does the molecule contain a thiol group? COc1ccc(C)cc1NC(=O)CCn1cnc2sc(C)cc2c1=O ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)[C@@H]([8*])O Fragment 2: [14*]c1cccs1 ### Response: COC(=O)C[C@H](NC(=O)[C@H](O)c1ccccc1)c1cccs1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC1=C(C(=O)N/N=C/c2cccc(Br)c2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? O=C(Nc1ccccc1-n1cncn1)C1CCN(C(=O)C2CC2)CC1 ### Response: Yes
functional_group
### Instruction: Does the molecule contain a carboxyl group? CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)[C@H]2CCOC2)c1 ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*][NH+]1C[C@H]2CC[C@@H]1C2 Fragment 2: [4*]Cc1ccc(O)cc1O ### Response: Oc1ccc(C[NH+]2C[C@H]3CC[C@@H]2C3)c(O)c1
functional_group
### Instruction: Does the molecule contain a ether group? COC1CC[NH+](CCNc2nccn(C)c2=O)CC1 ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=c1cc(CS(=O)(=O)c2ncccc2Cl)nc2ccccn12 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. C1C[C@@]([C@H](C)C[NH+]1Cc1nc(C2CC2)on1)(O)C1CCOCC1 ### Response: C[C@@H]1C[NH+](Cc2noc(C3CC3)n2)CC[C@@]1(O)C1CCOCC1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [14*]c1cncs1 Fragment 2: [5*]N[C@@H](C)C[8*] ### Response: C[C@@H](Cc1cncs1)NC(=O)c1ccc2nccn2c1
functional_group
### Instruction: Does the molecule contain a ester group? C=C(Cl)COC(=O)c1nc2nccc(C)n2n1 ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1ccc(S(=O)(=O)Cc2nc([O-])c3sc(-c4ccccc4)cc3n2)cc1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a halide group? C[C@@H](CCl)CS(=O)(=O)N1CCc2ccccc21 ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCOc1cc(C)ccc1NC(=O)c1cccnc1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)C[4*] Fragment 2: [11*]Sc1cccs1 ### Response: O=C(NC1CCN(C(=O)CSc2cccs2)CC1)c1ccccc1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. OC1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](CS)c1ccccc1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a carboxyl group? C[NH2+]C[C@@H](C)C(=O)N(C)c1cccc(C#N)c1 ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCN(Cc1ccoc1)C(=O)NC[C@@H](OC)c1ccccc1 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCc1ccc2oc(C(=O)NC[C@@H](C)Oc3ccc(Cl)cc3)cc(=O)c2c1 ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [3*]OCC([6*])=O Fragment 2: [1*]C(=O)c1cccc(OC)c1 ### Response: COc1cccc(C(=O)OCC(=O)c2ccccc2)c1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. O=C1CNC(=O)N1CCCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a amide group? CCC[C@H](Cc1ccc2nnnn2n1)[NH2+]C ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1ccc(F)cc1 Fragment 2: [1*]C(=O)c1ccc(C)cc1NN ### Response: CCN(C(=O)c1ccc(C)cc1NN)c1ccc(F)cc1
functional_group
### Instruction: Does the molecule contain a ether group? O=C(Nc1ccc(Cl)nc1)N[C@@H](CO)c1ccc(Cl)cc1 ### Response: No
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1cc(C(=O)NCC2CCN(C(=O)Cc3cccs3)CC2)no1 ### Response: 2
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? CC[C@@](C)(C[NH3+])[C@](C)(O)Cc1ccc(OC)cc1 ### Response: Yes
canonicalization
### Instruction: Canonicalize the following SMILES string. c1(c(cc(C)c(c1)F)F)[C@H]([C@H](Br)CC)C ### Response: CC[C@@H](Br)[C@H](C)c1cc(F)c(C)cc1F
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1ccc([C@H]2CCCN2C(=O)C[C@@H]2CCCO2)cc1 ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. O=C(N[C@@]1(C(F)(F)F)C(=O)N(C(c2ccccc2)=N1)Cc1occc1)c1c(C)cccc1 ### Response: Cc1ccccc1C(=O)N[C@]1(C(F)(F)F)N=C(c2ccccc2)N(Cc2ccco2)C1=O
functional_group
### Instruction: Does the molecule contain a amide group? CC(C)c1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2Br)cc1 ### Response: Yes
ring_counting
### Instruction: Count the five-membered rings in the following molecule. O=C(Cc1csc(-c2ccccc2)n1)Nc1cccc(F)c1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a ester group? C/C=C/C(=O)N1C[C@H](C)C(=O)Nc2ccccc21 ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)c1ccc([14*])nc1 Fragment 2: [1*]C(=O)c1ccc(OC)nc1 ### Response: COc1ccc(C(=O)N2CCC[C@@H](c3ccc(C(=O)N4CCN(C)CC4)cn3)C2)cn1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1nc(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cs1 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1cc(cc(c1)Cl)C1(CCOCC1)CNC(=O)N(CCCOC)C ### Response: COCCCN(C)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1
canonicalization
### Instruction: Canonicalize the following SMILES string. C([NH+]1[C@@H](C)CCCC1)[C@H](COc1ccc(C(C)(C)C)cc1)O ### Response: C[C@H]1CCCC[NH+]1C[C@@H](O)COc1ccc(C(C)(C)C)cc1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COCC(=O)N[C@H](C)c1nc2ccccc2n1Cc1ccc(F)cc1 ### Response: 2
functional_group
### Instruction: Does the molecule contain a thiol group? Cc1nn(Cc2nncn2-c2cccc(C(F)(F)F)c2)c(C)c1C ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [9*]n1nccc1[14*] Fragment 2: [15*]C1CCCCC1 ### Response: O=C(Nc1ccnn1C1CCCCC1)N[C@H]1CC=CCC1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [9*]n1ncc2c([14*])ncnc21 Fragment 2: [16*]c1ccc(C)cc1C ### Response: Cc1ccc(-n2ncc3c(-n4nc(C)cc4NC(=O)c4cc(=O)c5ccccc5o4)ncnc32)c(C)c1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)C[4*] Fragment 2: [5*]N1CCc2ccccc2[C@H]1CC ### Response: CC[C@@H]1c2ccccc2CCN1C(=O)CN(C)S(=O)(=O)c1ccccc1
functional_group
### Instruction: Does the molecule contain a carboxyl group? CC1(C)[C@@H](C=C(Br)Br)[C@@H]1C(=O)Oc1cccc2cccnc12 ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. c1c(F)c(S(=O)(=O)/N=C(\[O-])[C@H]2SCCc3c2cccc3)ccc1C ### Response: Cc1ccc(S(=O)(=O)/N=C(\[O-])[C@H]2SCCc3ccccc32)c(F)c1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COC(=O)c1ccc(-c2noc(CN3CCC[C@@H](c4nc5ccccc5o4)C3)n2)cc1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N([5*])c1ccc(F)cc1 Fragment 2: [4*]CCC(N)=O ### Response: NC(=O)CCN(C(=O)C1CCC1)c1ccc(F)cc1
functional_group
### Instruction: Does the molecule contain a ether group? [NH3+]CC#Cc1ccccc1O[C@H]1CCO[C@@]2(CCOC2)C1 ### Response: Yes
ring_counting
### Instruction: Count the five-membered rings in the following molecule. C[C@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCCC1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N1CCOCC1 Fragment 2: [4*]C[C@@H]1CCCCN1[5*] ### Response: Cn1cccc1C(=O)N1CCCC[C@H]1CN1CCOCC1