task
stringclasses
5 values
input
stringlengths
89
339
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1ccc2nc(SCC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)[nH]c2c1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a halide group? CC(C)(C)c1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CS(=O)(=O)C3)cc1 ### Response: Yes
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [11*]Sc1cc(C)nc2ccc(I)cc12 Fragment 2: [4*]CC(=O)[O-] ### Response: Cc1cc(SCC(=O)[O-])c2cc(I)ccc2n1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1ccc(CN2CCC(N3CCO[C@H](C)C3)CC2)c(OC)c1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C([O-])CC1(CC(=O)Nc2ccc(F)cc2F)CCCCC1 ### Response: 2
ring_counting
### Instruction: Count the six-membered rings in the following molecule. [N-]=[N+]=NC[C@H]1C[NH+]=C(N)N1c1cccc(F)c1 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1(NC(C(NCCC[NH+]2C[C@H](C)CCC2)=O)=O)cnc(cc1)OC ### Response: COc1ccc(NC(=O)C(=O)NCCC[NH+]2CCC[C@@H](C)C2)cn1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*]CC1CCCCC1 Fragment 2: [5*]N1CC[NH+]([5*])CC1 ### Response: CON(C)C(=O)CN1CC[NH+](CC2CCCCC2)CC1
functional_group
### Instruction: Does the molecule contain a nitro group? C[C@@H](Sc1nnc(C2CCCCC2)n1N)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ### Response: Yes
ring_counting
### Instruction: Count the five-membered rings in the following molecule. N#C[C@]1(NC2CC2)CC[C@@H](Sc2n[nH]c(=O)n2C2CC2)C1 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[C@@H]1CCC/C(=C/c2ccc3c(c2)OCO3)C1=O ### Response: 1
functional_group
### Instruction: Does the molecule contain a amide group? C[C@@H]1CCC[C@@H](C)C1NC(=O)NCCc1cn2ccccc2n1 ### Response: Yes
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CN[C@]1(C(=O)[O-])CC[C@@H]([NH+](C)C[C@@H]2CCCCO2)C1 ### Response: 1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COc1ccc([C@@H](C)[NH+](C)CCC(=O)Nc2ccccc2Cl)cc1 ### Response: 0
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1ccc(C(=O)Nc2nccs2)cc1[N+](=O)[O-] ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]NCC(F)(F)F Fragment 2: [1*]C(=O)N1CCN([5*])CC1 ### Response: O=C(NCC(F)(F)F)N1CCN(C(=O)c2cccnc2)CC1
canonicalization
### Instruction: Canonicalize the following SMILES string. n1c(sc(c1)Cc1cc(ccc1)C)NC(=O)CN1C(=S)S[C@H](CC)C1=O ### Response: CC[C@H]1SC(=S)N(CC(=O)Nc2ncc(Cc3cccc(C)c3)s2)C1=O
canonicalization
### Instruction: Canonicalize the following SMILES string. C1(C(Nc2cc(-c3sc4ccccc4n3)ccc2)=O)CCOCC1 ### Response: O=C(Nc1cccc(-c2nc3ccccc3s2)c1)C1CCOCC1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1cc(cc(-c2cn3c(scc3)n2)c1)NC(CSc1ccc(cc1)F)=O ### Response: O=C(CSc1ccc(F)cc1)Nc1cccc(-c2cn3ccsc3n2)c1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1cc[n+](cc1C(N[C@@H](c1c(cccc1)C(F)(F)F)C)=O)[O-] ### Response: C[C@@H](NC(=O)c1ccc[n+]([O-])c1)c1ccccc1C(F)(F)F
canonicalization
### Instruction: Canonicalize the following SMILES string. C12CC3CC(CC(C3)C1)(C2)C(Nc1nccc(c1)C)=O ### Response: Cc1ccnc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC(C)C1CCC([NH+](C)CCn2cnnc2)CC1 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1c(cc(Cl)cc1)-c1sc(c(n1)C)C(=O)N[C@@H]1C[C@H]([NH+](C)C)CC1 ### Response: Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1nc(Nc2ccccc2F)c2c3c(sc2n1)CCC3 ### Response: 1
functional_group
### Instruction: Does the molecule contain a nitro group? CCCOc1cc(C[NH+]2CCC[C@H]2c2cnn(C)c2C)ccc1OC ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. c1cc2/C(=N/NC(c3cccc(c3)Cl)=O)CCCc2cc1 ### Response: O=C(N/N=C1\CCCc2ccccc21)c1cccc(Cl)c1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1cc(C(F)(F)F)c(F)c(C(=O)Nc2ccc(COCC)cc2)c1 ### Response: CCOCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2F)cc1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COc1ccc(N2C(=O)C[C@@H](N(CCc3ccccc3)C(=O)c3ccc(F)cc3)C2=O)cc1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a hydroxyl group? CCNC(=O)N1CCc2ccc(NC(=O)N(C)[C@@H]3CCC[C@H](C)C3)cc21 ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. c1(C(N2CCC(C(=O)NC)CC2)=O)ncccc1 ### Response: CNC(=O)C1CCN(C(=O)c2ccccn2)CC1
functional_group
### Instruction: Does the molecule contain a phenol group? O=C1[C@@H](NC(=O)N2CCOC[C@H]2C2CC2)CCN1c1cccc(Cl)c1 ### Response: No
functional_group
### Instruction: Does the molecule contain a ketone group? COc1ccc(C(=O)[C@@H]2CCCN(Cc3cnc(N(C)C)s3)C2)cc1OC ### Response: Yes
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CSc1ccccc1C(=O)NCc1cc[nH]n1 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1cc(C(F)(F)F)cc(c1)C1(O)CCN(C(=S)NCC)CC1 ### Response: CCNC(=S)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*][C@H]([8*])C[NH3+] Fragment 2: [16*]c1cc(Br)c2c(c1)OCO2 ### Response: CC1(C)CCN([C@@H](C[NH3+])c2cc(Br)c3c(c2)OCO3)C1
canonicalization
### Instruction: Canonicalize the following SMILES string. N#Cc1cc(NC([C@@H](C)O/N=C(\c2sccc2)N)=O)ccc1 ### Response: C[C@@H](O/N=C(/N)c1cccs1)C(=O)Nc1cccc(C#N)c1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCOC(=O)c1noc2ncn([C@@H](C)C(=O)N(C)c3cccc(C)c3)c(=O)c12 ### Response: 3
functional_group
### Instruction: Does the molecule contain a thiol group? CCC(=O)c1ccc(F)c(F)c1 ### Response: No
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? CCCNC(=O)CN1CCN(C(=O)Cc2c(C)nn(-c3ccccc3)c2C)CC1 ### Response: Yes
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1nc([N+](=O)[O-])cn1CC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1ccc(F)cc1 Fragment 2: [1*]C(=O)c1cscn1 ### Response: COC(=O)[C@H]1CN(C(=O)c2cscn2)C[C@@H]1c1ccc(F)cc1
functional_group
### Instruction: Does the molecule contain a thiol group? C[C@@H](CS(C)(=O)=O)N(Cc1c[nH]nc1-c1ccc(F)cc1)C1CC1 ### Response: No
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCSCc1ccnc(NCc2cnc3c(C)cccn23)c1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*]Cc1ccc(OC)cc1 Fragment 2: [4*]CCO ### Response: COc1ccc(C[NH+]2CCN(CCO)CC2)cc1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COCC[NH2+]Cc1c[nH]nc1C1CCCC1 ### Response: 2
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1nn(C)c2c1nc([C@H](C)Cl)n2[C@@H](C[NH+](C)C)C(C)C ### Response: 2
ring_counting
### Instruction: Count the six-membered rings in the following molecule. O=C(C[C@@H](C(=O)[O-])[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(F)cc1 ### Response: 3
canonicalization
### Instruction: Canonicalize the following SMILES string. c1ccsc1-c1ncc(cn1)CCl ### Response: ClCc1cnc(-c2cccs2)nc1
functional_group
### Instruction: Does the molecule contain a amide group? CC[C@H](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ### Response: Yes
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1cccc([C@@H](O)[C@@]2(C#N)CCOC2)c1 ### Response: 1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. [NH3+][C@@H](Cc1cccc(F)c1F)[C@H]1CN2CCC[C@@H]2CO1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC1CCN(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)CC1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a hydroxyl group? O=C1N(Cc2cccc(F)c2)c2ccccc2S(=O)(=O)N1c1ccc(F)cc1 ### Response: No
functional_group
### Instruction: Does the molecule contain a amide group? CC[C@@H](NC(=O)Nc1cc(C)ccc1F)c1nc(C(F)(F)F)cs1 ### Response: Yes
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [15*]C1CCCCCC1 Fragment 2: [1*]C(=O)[C@H]1CCC(=O)N([10*])C1 ### Response: O=C(NCCc1ccc(Cl)cc1)[C@H]1CCC(=O)N(C2CCCCCC2)C1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1ccc(F)cc1 Fragment 2: [1*]C(=O)c1cc2cccc(OC)c2oc1=O ### Response: COc1cccc2cc(C(=O)OCc3cc(-c4ccc(F)cc4)on3)c(=O)oc12
functional_group
### Instruction: Does the molecule contain a halide group? CC(C)[C@@H](CC(=O)OC(C)(C)C)C(=O)[O-] ### Response: No
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CCc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3ccco3)c3nc4ccccc4n32)cc1 ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. [S@@](CCC(=O)Nc1ccccc1)(=O)Cc1c(Cl)cc(cc1)OC ### Response: COc1ccc(C[S@](=O)CCC(=O)Nc2ccccc2)c(Cl)c1
functional_group
### Instruction: Does the molecule contain a hydroxyl group? CCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2ccc(C(=O)NC)cc2)c1 ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*]Cc1ccccc1 Fragment 2: [11*]Sc1nncn1/N=C/c1ccccc1[16*] ### Response: O=C([O-])c1ccccc1/C=N/n1cnnc1SCc1ccccc1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2 Fragment 2: [5*]N1CCC[C@H](OC)C1 ### Response: CO[C@H]1CCCN(C(=O)c2oc3c(c2C)C(=O)CC(C)(C)C3)C1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C(Cc1ccccc1CNC(=O)c1cc2c(ccc3ncccc32)s1)NC1CCCC1 ### Response: 2
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Fc1cccc(F)c1CNc1ccc(Cl)c(Br)c1 ### Response: 0
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CCCNC(=O)c1ccc(C)c(N(C)S(C)(=O)=O)c1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a ester group? CCOc1ccc(C2(C[NH2+]Cc3cc[nH]c3)CCOCC2)cc1 ### Response: No
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCC[C@@H](Cl)[C@@H](C)c1ccncc1 ### Response: 0
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [8*]CCCC Fragment 2: [4*]Cc1nc2c(c(=O)[nH]c(=O)n2[9*])n1CC ### Response: CCCCn1c(=O)[nH]c(=O)c2c1nc(C[NH+]1CCC(OC)CC1)n2CC
functional_group
### Instruction: Does the molecule contain a nitro group? CCN(c1cc(C(N)=S)ccn1)C(C)C ### Response: No
functional_group
### Instruction: Does the molecule contain a ether group? CC(=O)CC(=O)N[C@H](C)CCCO ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. n1(c2c(cccc2)nc1)NC([C@@H]1CCCN1S(c1ccc(F)cc1)(=O)=O)=O ### Response: O=C(Nn1cnc2ccccc21)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1
functional_group
### Instruction: Does the molecule contain a amide group? C[C@@H]1CCC[C@H](C)[NH+]1CC(=O)Nc1ccccc1SC[C@@H](C)C#N ### Response: Yes
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CC1CCN(C(=O)/C=C/c2nc3ccccc3o2)CC1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N[C@H]1CCCC[C@@H]1[S@](=O)CC Fragment 2: [15*][C@H]1CCCC[C@@H]1[S@](=O)CC ### Response: CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](CC(C)C)CC1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]Nc1ccc(Cl)cc1C([6*])=O Fragment 2: [16*]c1ccccc1 ### Response: O=C(c1ccccc1)c1cc(Cl)ccc1NCC(=O)N1CCN(c2ccccc2)CC1
functional_group
### Instruction: Does the molecule contain a aldehyde group? Cc1ccc2nc(C)c(C)c(C(=O)NCC[NH+]3CCC(CO)CC3)c2c1 ### Response: No
ring_counting
### Instruction: Count the six-membered rings in the following molecule. C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H](O)c1c(F)cccc1F ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Nc1nc(-c2ccncc2)cs1 ### Response: 0
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [6*]C(C)=O Fragment 2: [16*]c1ccc2nc(N)sc2c1 ### Response: CC(=O)c1ccc2nc(N)sc2c1
functional_group
### Instruction: Does the molecule contain a aldehyde group? CCOC(=O)c1cnc2cc(C(=O)OC)ccc2c1N ### Response: No
functional_group
### Instruction: Does the molecule contain a nitro group? COCc1c(C(=O)NC(C)C)nnn1-c1ccc(C)cc1 ### Response: No
canonicalization
### Instruction: Canonicalize the following SMILES string. N(C(=O)CC[NH+]1CC[C@@H]([C@H](C1)O)C)c1ccc(OCc2ccccc2)cc1 ### Response: C[C@H]1CC[NH+](CCC(=O)Nc2ccc(OCc3ccccc3)cc2)C[C@@H]1O
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C(Nc1ccc(F)cc1OCC(F)F)c1n[nH]cc1[N+](=O)[O-] ### Response: 2
functional_group
### Instruction: Does the molecule contain a amide group? CCNc1nc2c(s1)[C@H](c1cc(OC)c3c(c1)OCO3)CC(=O)N2 ### Response: Yes
canonicalization
### Instruction: Canonicalize the following SMILES string. C1N(CCN(C1)[C@H]1CCS(=O)(C1)=O)C(Cc1cccc(c1)OC)=O ### Response: COc1cccc(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [10*]N1C(=O)CNC1=O Fragment 2: [4*]CCC[8*] ### Response: C[C@@H]1CCN(CCCN2C(=O)CNC2=O)c2ccccc21
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [15*][C@@H]1CC[NH2+]C[C@H]1C Fragment 2: [5*]N1CCCC1 ### Response: C[C@@H]1C[NH2+]CC[C@H]1N1CCCC1
canonicalization
### Instruction: Canonicalize the following SMILES string. n1(C2CCCC2)c2nc3c4c(cc(O)cc4)oc3c(c2c(n1)O)-c1cc2c(cccc2)[nH]c1=O ### Response: O=c1[nH]c2ccccc2cc1-c1c2oc3cc(O)ccc3c2nc2c1c(O)nn2C1CCCC1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1cnc(Oc2ccc(cc2)NC(N2CCCC[C@@H]2CO)=O)nc1 ### Response: O=C(Nc1ccc(Oc2ncccn2)cc1)N1CCCC[C@@H]1CO
ring_counting
### Instruction: Count the six-membered rings in the following molecule. C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(Cc2ccccn2)CC1 ### Response: 3
ring_counting
### Instruction: Count the six-membered rings in the following molecule. COc1ccc(C(=O)O[C@@H](C)c2nc3ccccc3n2C(F)F)cc1 ### Response: 2
functional_group
### Instruction: Does the molecule contain a amide group? O=C1[C@H](Sc2ccccc2)CCCN1Cc1ccccc1 ### Response: Yes
canonicalization
### Instruction: Canonicalize the following SMILES string. O=C1Nc2c(cccc2)[C@H](C(Nc2ccc(Sc3scc(n3)C)cc2)=O)C1 ### Response: Cc1csc(Sc2ccc(NC(=O)[C@@H]3CC(=O)Nc4ccccc43)cc2)n1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*]C(C)C Fragment 2: [4*]CCS([12*])(=O)=O ### Response: CC(C)OCCS(=O)(=O)NC1CCC(Cl)CC1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CSc1ncccc1C(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [9*]n1c(=O)c2c([16*])cc(C)nc2n(C)c1=O Fragment 2: [16*]c1c(C)n(C)c2ccccc12 ### Response: COC(=O)c1cc(C)nc2c1c(=O)n(CC(=O)c1c(C)n(C)c3ccccc13)c(=O)n2C
functional_group
### Instruction: Does the molecule contain a hydroxyl group? COc1cccc(C(=O)N2CCN(c3ccccc3C)C(=O)C2)c1 ### Response: No
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CC[NH2+][C@H](CC)[C@H](c1ccc(Cl)cc1)C1CC1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC[C@@H](c1ccccc1)N(CC(=O)OC)C(=O)c1ccc(C#N)c(C)n1 ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1c(F)cccc1Cl Fragment 2: [8*]C[NH2+]C ### Response: C[NH2+]C[C@@H]1C[C@@H]1c1c(F)cccc1Cl