task
stringclasses
5 values
input
stringlengths
89
339
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COC(=O)CCN(C[C@@H]1CCCO1)c1snc(Cl)c1C#N ### Response: 3
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COCCCC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ### Response: 4
functional_group
### Instruction: Does the molecule contain a amide group? CCC(=O)N1c2ccccc2C[C@H]1C(=O)NCCCc1ccccc1 ### Response: Yes
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CSCCn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ### Response: 1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1ccccc1CCNC(=O)c1[nH]nc(C2CC2)c1N ### Response: 1
functional_group
### Instruction: Does the molecule contain a amide group? Cc1ccc(C)c(-n2nnnc2SCC(=O)Nc2ccc(CN3CCOCC3)cc2)c1 ### Response: Yes
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COCCn1ccc2ccc(NC(=O)c3cccc(F)c3)cc21 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC(C)Cc1nnc([C@@H](C)[NH+]2CCC(c3ccc(F)cc3)CC2)o1 ### Response: 3
canonicalization
### Instruction: Canonicalize the following SMILES string. c1cccc(c1C(=O)[O-])SCc1nc2sc(C)cn2c(c1)=O ### Response: Cc1cn2c(=O)cc(CSc3ccccc3C(=O)[O-])nc2s1
canonicalization
### Instruction: Canonicalize the following SMILES string. CC(NC(=O)N[C@H]1C[C@H]1CCC)(C)c1scc(C)n1 ### Response: CCC[C@@H]1C[C@@H]1NC(=O)NC(C)(C)c1nc(C)cs1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CN(C(=O)c1ccsc1)[C@@H](Cc1ccccc1)C1CCN(C(=O)c2ccc[n+]([O-])c2)CC1 ### Response: 3
ring_counting
### Instruction: Count the five-membered rings in the following molecule. N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCN(Cc2cccs2)CC1 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. S(c1ccccc1F)CCC(=O)NC[C@H]1CN(CCC1)c1ncccn1 ### Response: O=C(CCSc1ccccc1F)NC[C@@H]1CCCN(c2ncccn2)C1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*]CC[C@@H]1CCC[C@H]1O Fragment 2: [5*][NH+]1CCC(C)(CC)CC1 ### Response: CCC1(C)CC[NH+](CC[C@@H]2CCC[C@H]2O)CC1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1cc(F)ccc1F Fragment 2: [5*]N1CCCCC1 ### Response: O=C(c1ccc(S(=O)(=O)Cc2cc(F)ccc2F)c([N+](=O)[O-])c1)N1CCCCC1
functional_group
### Instruction: Does the molecule contain a sulfonyl group? CC(=O)N1c2cc(S(=O)(=O)NCc3ccc(Cl)cc3)c(Br)cc2C[C@@H]1C ### Response: Yes
functional_group
### Instruction: Does the molecule contain a ketone group? CO[C@@H]1CS(=O)(=O)C[C@H]1OC ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [12*]S(=O)(=O)c1ccc(F)cc1 Fragment 2: [1*]C(=O)CC[8*] ### Response: O=C(CCc1nc(CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)no1)N1CCCC1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Nc1nc(NCCNC(=O)c2ccccc2Cl)ncc1[N+](=O)[O-] ### Response: 2
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCCCCNC(=O)CSc1cc(C)c2ccccc2n1 ### Response: 0
ring_counting
### Instruction: Count the six-membered rings in the following molecule. C[C@@H](CC(=O)NNc1nc(-c2ccccc2)no1)NC(=O)C1CCCC1 ### Response: 1
canonicalization
### Instruction: Canonicalize the following SMILES string. C12(CC3C[C@@](C)(C2)C[C@@](C1)(C3)C)NC(C[NH2+]CC1CC1)=O ### Response: C[C@]12CC3CC(NC(=O)C[NH2+]CC4CC4)(C1)C[C@@](C)(C3)C2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N1CCOCC1 Fragment 2: [11*]Sc1ncnc2scc([16*])c12 ### Response: O=C(CSc1ncnc2scc(-c3ccccc3)c12)N1CCOCC1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CN(Cc1cccc(O)c1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 ### Response: 3
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCC[C@@H](C)c1nc(N2CCN(C(=O)[C@@H](C)Cl)CC2)c2cnn(-c3ccccc3)c2n1 ### Response: 5
canonicalization
### Instruction: Canonicalize the following SMILES string. [C@@]([C@@H](C)c1cccc2ccccc12)(O)(C(=O)OCC)C ### Response: CCOC(=O)[C@](C)(O)[C@@H](C)c1cccc2ccccc12
ring_counting
### Instruction: Count the six-membered rings in the following molecule. COc1ccc(O[C@H]2CC[C@@]([NH2+]C(C)C)(C(=O)[O-])C2)cc1 ### Response: 1
functional_group
### Instruction: Does the molecule contain a sulfonyl group? CC(C)[C@H](Sc1ccc(F)cc1)C(=O)N[C@]1(C)CCS(=O)(=O)C1 ### Response: Yes
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [6*]C(=O)NC Fragment 2: [5*]N1CCC([15*])CC1 ### Response: CNC(=O)c1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)ccc1OC
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [15*][C@H]1C=c2ccccc2=[NH+]C1=O Fragment 2: [5*]N(C)C[8*] ### Response: CN(C[C@H]1C=c2ccccc2=[NH+]C1=O)C(=O)c1ccccc1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C#CCN([C@@H]1C[C@@H](C)C[C@@H](c2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 ### Response: 3
functional_group
### Instruction: Does the molecule contain a ether group? CC(C)(C)c1nc(C[NH2+]C[C@@H]2Cc3ccccc3O2)cs1 ### Response: Yes
functional_group
### Instruction: Does the molecule contain a ketone group? C[C@@H]1[C@@H](C)CCN1C(=O)c1cnn2cc(Br)cnc12 ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]Nc1ccc(C)cc1Cl Fragment 2: [1*]C(=O)CC[4*] ### Response: CO[C@H](C)c1cccc(NC(=O)NCCC(=O)Nc2ccc(C)cc2Cl)c1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)cc1 ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1noc(C)c1COc1cccc([C@H](C)O)c1 ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. c1(c(n(-c2ccccc2)n(c1C)C)=O)NC(=O)CSc1[nH]c(=O)c2c(n1)sc1CCCCc12 ### Response: Cc1c(NC(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c(=O)n(-c2ccccc2)n1C
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [14*]c1cccs1 Fragment 2: [15*]C1(C)CCCC1 ### Response: CC1([C@H]([NH3+])Cc2cccs2)CCCC1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [15*][C@H]1CCCCC[C@@H]1[NH3+] Fragment 2: [3*]OC(C)C ### Response: CC(C)Oc1cccc([C@H]2CCCCC[C@@H]2[NH3+])c1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*][NH+]1CCC[C@H]2CCC[C@@H]21 Fragment 2: [4*][C@@]1(C#N)CCC[C@@H]([15*])C1 ### Response: CCN[C@@]1(C#N)CCC[C@@H]([NH+]2CCC[C@H]3CCC[C@@H]32)C1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*][C@](C)(CC)[C@@H]([8*])O Fragment 2: [16*]c1cscc1Br ### Response: CC[NH+](CC)[C@](C)(CC)[C@H](O)c1cscc1Br
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [15*]C1CC1 Fragment 2: [8*]C([8*])[NH2+]C ### Response: C[NH2+][C@@H](C1CC1)[C@H]1C[NH+](C)CCN1C
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? c1ccc2[nH]c(-c3cscn3)nc2c1 ### Response: Yes
ring_counting
### Instruction: Count the six-membered rings in the following molecule. O=C(CCNC(=O)c1nc2ccccn2n1)NCc1cccc(F)c1 ### Response: 2
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cn1cc(C(=O)NC2CCN(C(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)CC2)cn1 ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. C1(C(OC(C)(C)C)=O)[C@]2(C(=O)OC=1C)C(C(=O)OCC)=C(N)Nc1ccccc12 ### Response: CCOC(=O)C1=C(N)Nc2ccccc2[C@@]12C(=O)OC(C)=C2C(=O)OC(C)(C)C
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N1CCC(O)CC1 Fragment 2: [16*]c1ccccc1 ### Response: OC1CCN(c2[nH+]cccc2NCc2ncc(-c3ccccc3)s2)CC1
canonicalization
### Instruction: Canonicalize the following SMILES string. c1cc(cc(S(N2C[C@@H](CCC2)C(N)=O)(=O)=O)c1F)N ### Response: NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(N)ccc2F)C1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COCCn1cnnc1CN(C)C(=O)c1cc(Cl)c(C)c(Cl)c1 ### Response: 2
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CCOc1cc(/C=C2\S/C(=N/c3ccc(OC)cc3)NC2=O)cc([N+](=O)[O-])c1O ### Response: 1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. COc1ccc(C[NH+]2CCC(NC(N)=O)CC2)cc1SC ### Response: 0
ring_counting
### Instruction: Count the five-membered rings in the following molecule. CN(C(=O)NCc1ccc(Cl)nc1)C1CCC1 ### Response: 0
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? COc1ccc(CN/C(C)=C2/C(=O)N(c3ccc(OC)cc3)N=C2C)cc1 ### Response: 2
canonicalization
### Instruction: Canonicalize the following SMILES string. C(F)(F)(c1nc(c(C(=O)N)cc1)N[C@@H](CC(C)C)C)F ### Response: CC(C)C[C@@H](C)Nc1nc(C(F)(F)F)ccc1C(N)=O
canonicalization
### Instruction: Canonicalize the following SMILES string. C(n1c(=O)c2c(nc1)ccs2)CN1CCN(c2[nH+]ccn2C)CC1 ### Response: Cn1cc[nH+]c1N1CCN(CCn2cnc3ccsc3c2=O)CC1
canonicalization
### Instruction: Canonicalize the following SMILES string. CCN(CC)S(c1ccc([C@H]2CNC(=O)C2)cc1)(=O)=O ### Response: CCN(CC)S(=O)(=O)c1ccc([C@H]2CNC(=O)C2)cc1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. NS(=O)(=O)c1ccc(C(=O)OCc2ccccc2Br)cc1 ### Response: 0
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CC[NH+]1CCC2(CC1)N=C(SCC(=O)Nc1cccc(Cl)c1C)C(c1ccccc1)=N2 ### Response: 2
ring_counting
### Instruction: Count the six-membered rings in the following molecule. Cc1ncsc1COC(=O)c1sc2nc(C(F)(F)F)ccc2c1C ### Response: 1
ring_counting
### Instruction: Count the five-membered rings in the following molecule. O=C(c1ccncc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[NH+](CC1CCCCC1)CC2 ### Response: 0
canonicalization
### Instruction: Canonicalize the following SMILES string. O[C@H]1Cc2c([C@@H]1NC(NC[C@@H](C)C[NH+]1CCN(CC1)CC)=O)cccc2 ### Response: CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H]2c3ccccc3C[C@@H]2O)CC1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. O=C([O-])CNC(=O)/C=C/c1cccs1 ### Response: 0
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCCn1nnnc1CSc1nnc([C@H]2CCS(=O)(=O)C2)n1C ### Response: 3
functional_group
### Instruction: Does the molecule contain a hydroxyl group? Cc1ccc(NC(=O)C(=O)N2CCCC2)c(OC[C@@H]2CCCO2)c1 ### Response: No
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [15*][C@H]1C[C@@H]1[15*] Fragment 2: [16*]c1ccccc1 ### Response: C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1O
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? Cc1cncc(NC(=O)C(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)c1 ### Response: 2
functional_group
### Instruction: Does the molecule contain a ether group? Cc1ccc(CC(=O)NNC(=O)CCSc2ccc(F)cc2)cc1O ### Response: No
ring_counting
### Instruction: Count the five-membered rings in the following molecule. Cc1cc(F)c([C@@](C)(CO)NCc2cccs2)cc1F ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]Nc1ccc(F)c([N+](=O)[O-])c1 Fragment 2: [1*]C(=O)c1cnc(C)cn1 ### Response: Cc1cnc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cn1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [13*][C@@H]1SC2=NC(=O)S[C@H]2[C@H]([15*])[C@H]1[15*] Fragment 2: [6*]C(=O)[C@@H]1[C@@H]([15*])[C@@H]2SC(=O)N=C2S[C@H]1[13*] ### Response: COc1ccc([C@@H]2[C@@H](C(=O)c3cccc4c3CCCC4)[C@H](C(=O)[O-])SC3=NC(=O)S[C@H]32)cc1
canonicalization
### Instruction: Canonicalize the following SMILES string. C(=O)(c1c(cccc1)OC(F)F)N1[C@H](CCC1)C(NC1CCCC1)=O ### Response: O=C(NC1CCCC1)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)C[4*] Fragment 2: [1*]C(=O)CO[3*] ### Response: Cc1cc(OCC(=O)NCC(N)=O)ccc1Cl
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [14*]c1ccco1 Fragment 2: [5*]NC1CCCCC1 ### Response: O=C(NC1CCCCC1)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccco2)C1
canonicalization
### Instruction: Canonicalize the following SMILES string. C(=O)(N(c1ccccc1)CC(N(C)C)=O)CCCc1ccc(s1)C ### Response: Cc1ccc(CCCC(=O)N(CC(=O)N(C)C)c2ccccc2)s1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [3*]OCC(=O)C([4*])(C)C Fragment 2: [3*]OC(C)C ### Response: CC[NH+](CC)C(C)(C)C(=O)COC(C)C
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CC[C@@H]1c2ccsc2CCN1C(=O)Cn1c(=O)sc2ccccc21 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CCCN(CCO)C(=O)N[C@H]1CCc2c(O)cccc21 ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N1CCCN([5*])CC1 Fragment 2: [5*]Nc1ccc(C)c(C)c1 ### Response: Cc1ccc(NC(=O)N2CCCN(C(=O)C(C)(C)C)CC2)cc1C
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? COc1ccc(S(=O)(=O)c2c(C)cc(C)n(CC(=O)Nc3cccc4ccccc34)c2=O)cc1 ### Response: Yes
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N1CCO[C@H]([13*])C1 Fragment 2: [16*]c1ccccc1 ### Response: COc1ccc(C2(C(=O)N3CCO[C@H](c4ccccc4)C3)CCOCC2)cc1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. O=C(NCCCc1nnc2ccccn12)Nc1cnc(C2CC2)nc1 ### Response: 2
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*]N(C)c1nc([14*])c(CO)s1 Fragment 2: [4*]CCCCC ### Response: CCCCCN(C)c1nc(C(C)C)c(CO)s1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [16*]c1ccc(C(N)=S)cc1Cl Fragment 2: [4*]C(CC)CC ### Response: CCC(CC)Oc1ccc(C(N)=S)cc1Cl
canonicalization
### Instruction: Canonicalize the following SMILES string. c1ccc(F)cc1NC(=O)c1ccccc1OCC(=C)C ### Response: C=C(C)COc1ccccc1C(=O)Nc1cccc(F)c1
functional_group
### Instruction: Does the molecule contain a aromatic_ring group? NC(=O)CSc1nnc(Cc2cccc3ccccc23)n1N ### Response: Yes
ring_counting
### Instruction: Count the six-membered rings in the following molecule. C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)n1cnc2ccccc2c1=O ### Response: 3
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*]Cc1cc(C)on1 Fragment 2: [4*]Cc1cccc([16*])c1 ### Response: Cc1cc(C[NH+](C)Cc2cccc(-c3cnn(C)c3)c2)no1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CC(C)CC[NH+]1CCC[C@@H]1[C@@H]1CCCCC1=O ### Response: 1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? CNC(=O)c1ccc(NC(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2)cc1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [4*]Cc1cccnc1 Fragment 2: [1*]C(=O)C[8*] ### Response: COCCN(Cc1cccnc1)C(=O)Cc1c[nH]c2ccccc12
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [5*][NH+](C)C Fragment 2: [4*]CCn1cnc2oc(C)c(C)c2c1=[NH2+] ### Response: Cc1oc2ncn(CC[NH+](C)C)c(=[NH2+])c2c1C
ring_counting
### Instruction: Count the six-membered rings in the following molecule. O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1nccn2ccnc12 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? O=C(/N=c1\sccn1Cc1ccccc1)c1cnc2sccn2c1=O ### Response: 1
functional_group
### Instruction: Does the molecule contain a amide group? O=C1/C(=C/c2ccsc2)SC(=S)N1CCc1ccccc1 ### Response: Yes
canonicalization
### Instruction: Canonicalize the following SMILES string. O=C1N/C(=N/N=C/c2c(ccc(c2)OC)OC)S[C@@H]1CC([O-])=O ### Response: COc1ccc(OC)c(/C=N/N=C2/NC(=O)[C@@H](CC(=O)[O-])S2)c1
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? OC[C@@H](Nc1cccc(Cl)c1)c1ccccc1C1CC1 ### Response: 2
chain_length
### Instruction: What is the length of the longest acyclic carbon chain in the molecule? C[NH+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(Cl)c(Cl)c4)o2)N3)C1 ### Response: 1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. CCN(Cc1nc(C)no1)C(=O)c1ccc(-n2nc(C)cc2C)cc1 ### Response: 1
fragment_assembly
### Instruction: Assemble these two molecular fragments into a single molecule. Fragment 1: [1*]C(=O)CC[8*] Fragment 2: [4*]C[C@@H]1CCCO1 ### Response: Cc1noc(C)c1CCC(=O)N(Cc1cccs1)C[C@@H]1CCCO1
ring_counting
### Instruction: Count the six-membered rings in the following molecule. NC(=S)c1cn[nH]c1NC(=O)C1(c2ccccc2)CC1 ### Response: 1