instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_816>. | The molecule contains the following groups: Ester, Ketone, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_816>. | **Token:** <BB_816>
**SMILES:** COC(=O)c1ccc(C(=O)CCl)o1
**Molecular Formula:** C8H7ClO4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ester, Ketone, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_817>. | O=C(O)c1ccc(-n2cnc([N+](=O)[O-])n2)c(Cl)c1 | |
What is the building block token for the following molecule? | O=C(O)c1ccc(-n2cnc([N+](=O)[O-])n2)c(Cl)c1 | <BB_817> |
What is the molecular formula for <BB_817>? | The molecular formula for <BB_817> (O=C(O)c1ccc(-n2cnc([N+](=O)[O-])n2)c(Cl)c1) is C9H5ClN4O4. | |
Describe the ring structures in building block <BB_817>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_817>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_817>. | **Token:** <BB_817>
**SMILES:** O=C(O)c1ccc(-n2cnc([N+](=O)[O-])n2)c(Cl)c1
**Molecular Formula:** C9H5ClN4O4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_818>. | Cl.NCC1(C(=O)O)CCCC1 | |
What is the building block token for the following molecule? | Cl.NCC1(C(=O)O)CCCC1 | <BB_818> |
What is the molecular formula for <BB_818>? | The molecular formula for <BB_818> (Cl.NCC1(C(=O)O)CCCC1) is C7H14ClNO2. | |
Describe the ring structures in building block <BB_818>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_818>. | The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_818>. | **Token:** <BB_818>
**SMILES:** Cl.NCC1(C(=O)O)CCCC1
**Molecular Formula:** C7H14ClNO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_819>. | Cn1cnc(S(=O)(=O)Cl)c1Cl | |
What is the building block token for the following molecule? | Cn1cnc(S(=O)(=O)Cl)c1Cl | <BB_819> |
What is the molecular formula for <BB_819>? | The molecular formula for <BB_819> (Cn1cnc(S(=O)(=O)Cl)c1Cl) is C4H4Cl2N2O2S. | |
Describe the ring structures in building block <BB_819>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_819>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_819>. | **Token:** <BB_819>
**SMILES:** Cn1cnc(S(=O)(=O)Cl)c1Cl
**Molecular Formula:** C4H4Cl2N2O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_820>. | OCCC1CCNCC1 | |
What is the building block token for the following molecule? | OCCC1CCNCC1 | <BB_820> |
What is the molecular formula for <BB_820>? | The molecular formula for <BB_820> (OCCC1CCNCC1) is C7H15NO. | |
Describe the ring structures in building block <BB_820>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_820>. | The molecule contains the following groups: Secondary Amine, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_820>. | **Token:** <BB_820>
**SMILES:** OCCC1CCNCC1
**Molecular Formula:** C7H15NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Alcohol | |
Provide the SMILES representation for the building block token <BB_821>. | CC1=CSC(=C(C#N)N=O)N1 | |
What is the building block token for the following molecule? | CC1=CSC(=C(C#N)N=O)N1 | <BB_821> |
What is the molecular formula for <BB_821>? | The molecular formula for <BB_821> (CC1=CSC(=C(C#N)N=O)N1) is C6H5N3OS. | |
Describe the ring structures in building block <BB_821>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_821>. | The molecule contains the following groups: Secondary Amine, Sulfide, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_821>. | **Token:** <BB_821>
**SMILES:** CC1=CSC(=C(C#N)N=O)N1
**Molecular Formula:** C6H5N3OS
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Sulfide, Nitrile | |
Provide the SMILES representation for the building block token <BB_822>. | O=C(O)c1cc(F)c(O)c(Cl)c1 | |
What is the building block token for the following molecule? | O=C(O)c1cc(F)c(O)c(Cl)c1 | <BB_822> |
What is the molecular formula for <BB_822>? | The molecular formula for <BB_822> (O=C(O)c1cc(F)c(O)c(Cl)c1) is C7H4ClFO3. | |
Describe the ring structures in building block <BB_822>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_822>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_822>. | **Token:** <BB_822>
**SMILES:** O=C(O)c1cc(F)c(O)c(Cl)c1
**Molecular Formula:** C7H4ClFO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_823>. | CC(=O)NN=C(N)c1cnccn1 | |
What is the building block token for the following molecule? | CC(=O)NN=C(N)c1cnccn1 | <BB_823> |
What is the molecular formula for <BB_823>? | The molecular formula for <BB_823> (CC(=O)NN=C(N)c1cnccn1) is C7H9N5O. | |
Describe the ring structures in building block <BB_823>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_823>. | The molecule contains the following groups: Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_823>. | **Token:** <BB_823>
**SMILES:** CC(=O)NN=C(N)c1cnccn1
**Molecular Formula:** C7H9N5O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Amide | |
Provide the SMILES representation for the building block token <BB_824>. | CO[Si](C)(CCCN)OC | |
What is the building block token for the following molecule? | CO[Si](C)(CCCN)OC | <BB_824> |
What is the molecular formula for <BB_824>? | The molecular formula for <BB_824> (CO[Si](C)(CCCN)OC) is C6H17NO2Si. | |
Describe the ring structures in building block <BB_824>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_824>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_824>. | **Token:** <BB_824>
**SMILES:** CO[Si](C)(CCCN)OC
**Molecular Formula:** C6H17NO2Si
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_825>. | ClCc1nc2cc(Cl)ccc2[nH]1 | |
What is the building block token for the following molecule? | ClCc1nc2cc(Cl)ccc2[nH]1 | <BB_825> |
What is the molecular formula for <BB_825>? | The molecular formula for <BB_825> (ClCc1nc2cc(Cl)ccc2[nH]1) is C8H6Cl2N2. | |
Describe the ring structures in building block <BB_825>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_825>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_825>. | **Token:** <BB_825>
**SMILES:** ClCc1nc2cc(Cl)ccc2[nH]1
**Molecular Formula:** C8H6Cl2N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_826>. | COc1cc(OC)cc(-c2cccc(N)n2)c1.Cl | |
What is the building block token for the following molecule? | COc1cc(OC)cc(-c2cccc(N)n2)c1.Cl | <BB_826> |
What is the molecular formula for <BB_826>? | The molecular formula for <BB_826> (COc1cc(OC)cc(-c2cccc(N)n2)c1.Cl) is C13H15ClN2O2. | |
Describe the ring structures in building block <BB_826>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_826>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_826>. | **Token:** <BB_826>
**SMILES:** COc1cc(OC)cc(-c2cccc(N)n2)c1.Cl
**Molecular Formula:** C13H15ClN2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_827>. | CNCc1cc2c(cc1Br)OCO2.Cl | |
What is the building block token for the following molecule? | CNCc1cc2c(cc1Br)OCO2.Cl | <BB_827> |
What is the molecular formula for <BB_827>? | The molecular formula for <BB_827> (CNCc1cc2c(cc1Br)OCO2.Cl) is C9H11BrClNO2. | |
Describe the ring structures in building block <BB_827>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_827>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_827>. | **Token:** <BB_827>
**SMILES:** CNCc1cc2c(cc1Br)OCO2.Cl
**Molecular Formula:** C9H11BrClNO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_828>. | CC(C)(C)OC(=O)NCCCC1N=N1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NCCCC1N=N1 | <BB_828> |
What is the molecular formula for <BB_828>? | The molecular formula for <BB_828> (CC(C)(C)OC(=O)NCCCC1N=N1) is C9H17N3O2. | |
Describe the ring structures in building block <BB_828>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_828>. | The molecule contains the following groups: Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_828>. | **Token:** <BB_828>
**SMILES:** CC(C)(C)OC(=O)NCCCC1N=N1
**Molecular Formula:** C9H17N3O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Amide, Ether | |
Provide the SMILES representation for the building block token <BB_829>. | NC(=O)OCC(F)(F)F | |
What is the building block token for the following molecule? | NC(=O)OCC(F)(F)F | <BB_829> |
What is the molecular formula for <BB_829>? | The molecular formula for <BB_829> (NC(=O)OCC(F)(F)F) is C3H4F3NO2. | |
Describe the ring structures in building block <BB_829>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_829>. | The molecule contains the following groups: Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_829>. | **Token:** <BB_829>
**SMILES:** NC(=O)OCC(F)(F)F
**Molecular Formula:** C3H4F3NO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_830>. | Nc1ccccc1NC1CCCC1 | |
What is the building block token for the following molecule? | Nc1ccccc1NC1CCCC1 | <BB_830> |
What is the molecular formula for <BB_830>? | The molecular formula for <BB_830> (Nc1ccccc1NC1CCCC1) is C11H16N2. | |
Describe the ring structures in building block <BB_830>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_830>. | The molecule contains the following groups: Amine, Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_830>. | **Token:** <BB_830>
**SMILES:** Nc1ccccc1NC1CCCC1
**Molecular Formula:** C11H16N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine, Secondary Amine | |
Provide the SMILES representation for the building block token <BB_831>. | CN1CCNCC1C(F)F | |
What is the building block token for the following molecule? | CN1CCNCC1C(F)F | <BB_831> |
What is the molecular formula for <BB_831>? | The molecular formula for <BB_831> (CN1CCNCC1C(F)F) is C6H12F2N2. | |
Describe the ring structures in building block <BB_831>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_831>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_831>. | **Token:** <BB_831>
**SMILES:** CN1CCNCC1C(F)F
**Molecular Formula:** C6H12F2N2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_832>. | Cl.O=C(NC1CC1)C1CCCNC1 | |
What is the building block token for the following molecule? | Cl.O=C(NC1CC1)C1CCCNC1 | <BB_832> |
What is the molecular formula for <BB_832>? | The molecular formula for <BB_832> (Cl.O=C(NC1CC1)C1CCCNC1) is C9H17ClN2O. | |
Describe the ring structures in building block <BB_832>. | The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_832>. | The molecule contains the following groups: Secondary Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_832>. | **Token:** <BB_832>
**SMILES:** Cl.O=C(NC1CC1)C1CCCNC1
**Molecular Formula:** C9H17ClN2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_833>. | Nc1ccc2c(c1)C(=O)OC2 | |
What is the building block token for the following molecule? | Nc1ccc2c(c1)C(=O)OC2 | <BB_833> |
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