instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_1516>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_1516>. | **Token:** <BB_1516>
**SMILES:** CC(C)c1ccccc1B(O)O
**Molecular Formula:** C9H13BO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_1517>. | Cl.Cl.NCc1cc(Cl)c(Cl)cn1 | |
What is the building block token for the following molecule? | Cl.Cl.NCc1cc(Cl)c(Cl)cn1 | <BB_1517> |
What is the molecular formula for <BB_1517>? | The molecular formula for <BB_1517> (Cl.Cl.NCc1cc(Cl)c(Cl)cn1) is C6H8Cl4N2. | |
Describe the ring structures in building block <BB_1517>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1517>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1517>. | **Token:** <BB_1517>
**SMILES:** Cl.Cl.NCc1cc(Cl)c(Cl)cn1
**Molecular Formula:** C6H8Cl4N2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1518>. | CC(C)(C)OC(=O)N1[C@H]2CC[C@H]2[C@H](Cl)S1=O | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1[C@H]2CC[C@H]2[C@H](Cl)S1=O | <BB_1518> |
What is the molecular formula for <BB_1518>? | The molecular formula for <BB_1518> (CC(C)(C)OC(=O)N1[C@H]2CC[C@H]2[C@H](Cl)S1=O) is C10H16ClNO3S. | |
Describe the ring structures in building block <BB_1518>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1518>. | The molecule contains the following groups: Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1518>. | **Token:** <BB_1518>
**SMILES:** CC(C)(C)OC(=O)N1[C@H]2CC[C@H]2[C@H](Cl)S1=O
**Molecular Formula:** C10H16ClNO3S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 4.
**Functional Groups:** Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1519>. | CC(=O)N(c1nc(CCl)cs1)c1ccc(C)cc1C | |
What is the building block token for the following molecule? | CC(=O)N(c1nc(CCl)cs1)c1ccc(C)cc1C | <BB_1519> |
What is the molecular formula for <BB_1519>? | The molecular formula for <BB_1519> (CC(=O)N(c1nc(CCl)cs1)c1ccc(C)cc1C) is C14H15ClN2OS. | |
Describe the ring structures in building block <BB_1519>. | 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_1519>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1519>. | **Token:** <BB_1519>
**SMILES:** CC(=O)N(c1nc(CCl)cs1)c1ccc(C)cc1C
**Molecular Formula:** C14H15ClN2OS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1520>. | CNC(C)(C)CC(=O)OC | |
What is the building block token for the following molecule? | CNC(C)(C)CC(=O)OC | <BB_1520> |
What is the molecular formula for <BB_1520>? | The molecular formula for <BB_1520> (CNC(C)(C)CC(=O)OC) is C7H15NO2. | |
Describe the ring structures in building block <BB_1520>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1520>. | The molecule contains the following groups: Secondary Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1520>. | **Token:** <BB_1520>
**SMILES:** CNC(C)(C)CC(=O)OC
**Molecular Formula:** C7H15NO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Secondary Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_1521>. | Nc1nccc2ccccc12 | |
What is the building block token for the following molecule? | Nc1nccc2ccccc12 | <BB_1521> |
What is the molecular formula for <BB_1521>? | The molecular formula for <BB_1521> (Nc1nccc2ccccc12) is C9H8N2. | |
Describe the ring structures in building block <BB_1521>. | 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_1521>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1521>. | **Token:** <BB_1521>
**SMILES:** Nc1nccc2ccccc12
**Molecular Formula:** C9H8N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_1522>. | CCCCNc1nc2ccc(C)cc2s1 | |
What is the building block token for the following molecule? | CCCCNc1nc2ccc(C)cc2s1 | <BB_1522> |
What is the molecular formula for <BB_1522>? | The molecular formula for <BB_1522> (CCCCNc1nc2ccc(C)cc2s1) is C12H16N2S. | |
Describe the ring structures in building block <BB_1522>. | 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_1522>. | The molecule contains the following groups: Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1522>. | **Token:** <BB_1522>
**SMILES:** CCCCNc1nc2ccc(C)cc2s1
**Molecular Formula:** C12H16N2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine | |
Provide the SMILES representation for the building block token <BB_1523>. | Cc1noc(C2(F)CCCNC2)n1.Cl | |
What is the building block token for the following molecule? | Cc1noc(C2(F)CCCNC2)n1.Cl | <BB_1523> |
What is the molecular formula for <BB_1523>? | The molecular formula for <BB_1523> (Cc1noc(C2(F)CCCNC2)n1.Cl) is C8H13ClFN3O. | |
Describe the ring structures in building block <BB_1523>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1523>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1523>. | **Token:** <BB_1523>
**SMILES:** Cc1noc(C2(F)CCCNC2)n1.Cl
**Molecular Formula:** C8H13ClFN3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1524>. | O=S(=O)(c1cccc(S(=O)(=O)N(Br)Br)c1)N(Br)Br | |
What is the building block token for the following molecule? | O=S(=O)(c1cccc(S(=O)(=O)N(Br)Br)c1)N(Br)Br | <BB_1524> |
What is the molecular formula for <BB_1524>? | The molecular formula for <BB_1524> (O=S(=O)(c1cccc(S(=O)(=O)N(Br)Br)c1)N(Br)Br) is C6H4Br4N2O4S2. | |
Describe the ring structures in building block <BB_1524>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1524>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_1524>. | **Token:** <BB_1524>
**SMILES:** O=S(=O)(c1cccc(S(=O)(=O)N(Br)Br)c1)N(Br)Br
**Molecular Formula:** C6H4Br4N2O4S2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_1525>. | CCn1ncc(Cl)c1C(=O)NN | |
What is the building block token for the following molecule? | CCn1ncc(Cl)c1C(=O)NN | <BB_1525> |
What is the molecular formula for <BB_1525>? | The molecular formula for <BB_1525> (CCn1ncc(Cl)c1C(=O)NN) is C6H9ClN4O. | |
Describe the ring structures in building block <BB_1525>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1525>. | The molecule contains the following groups: Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1525>. | **Token:** <BB_1525>
**SMILES:** CCn1ncc(Cl)c1C(=O)NN
**Molecular Formula:** C6H9ClN4O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1526>. | Cl.NC(Cc1cc(Cl)ccc1Cl)C(=O)O | |
What is the building block token for the following molecule? | Cl.NC(Cc1cc(Cl)ccc1Cl)C(=O)O | <BB_1526> |
What is the molecular formula for <BB_1526>? | The molecular formula for <BB_1526> (Cl.NC(Cc1cc(Cl)ccc1Cl)C(=O)O) is C9H10Cl3NO2. | |
Describe the ring structures in building block <BB_1526>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1526>. | The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1526>. | **Token:** <BB_1526>
**SMILES:** Cl.NC(Cc1cc(Cl)ccc1Cl)C(=O)O
**Molecular Formula:** C9H10Cl3NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1527>. | O=C(Nc1cccc(Br)c1)c1cccnc1 | |
What is the building block token for the following molecule? | O=C(Nc1cccc(Br)c1)c1cccnc1 | <BB_1527> |
What is the molecular formula for <BB_1527>? | The molecular formula for <BB_1527> (O=C(Nc1cccc(Br)c1)c1cccnc1) is C12H9BrN2O. | |
Describe the ring structures in building block <BB_1527>. | 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_1527>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1527>. | **Token:** <BB_1527>
**SMILES:** O=C(Nc1cccc(Br)c1)c1cccnc1
**Molecular Formula:** C12H9BrN2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1528>. | CC(C)Oc1ccc(C(=O)O)cc1C#N | |
What is the building block token for the following molecule? | CC(C)Oc1ccc(C(=O)O)cc1C#N | <BB_1528> |
What is the molecular formula for <BB_1528>? | The molecular formula for <BB_1528> (CC(C)Oc1ccc(C(=O)O)cc1C#N) is C11H11NO3. | |
Describe the ring structures in building block <BB_1528>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1528>. | The molecule contains the following groups: Carboxylic Acid, Ether, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1528>. | **Token:** <BB_1528>
**SMILES:** CC(C)Oc1ccc(C(=O)O)cc1C#N
**Molecular Formula:** C11H11NO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether, Nitrile | |
Provide the SMILES representation for the building block token <BB_1529>. | Cc1nnc(Br)cc1-c1ccncc1 | |
What is the building block token for the following molecule? | Cc1nnc(Br)cc1-c1ccncc1 | <BB_1529> |
What is the molecular formula for <BB_1529>? | The molecular formula for <BB_1529> (Cc1nnc(Br)cc1-c1ccncc1) is C10H8BrN3. | |
Describe the ring structures in building block <BB_1529>. | 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_1529>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1529>. | **Token:** <BB_1529>
**SMILES:** Cc1nnc(Br)cc1-c1ccncc1
**Molecular Formula:** C10H8BrN3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1530>. | Nc1c(F)cc(I)c(F)c1F | |
What is the building block token for the following molecule? | Nc1c(F)cc(I)c(F)c1F | <BB_1530> |
What is the molecular formula for <BB_1530>? | The molecular formula for <BB_1530> (Nc1c(F)cc(I)c(F)c1F) is C6H3F3IN. | |
Describe the ring structures in building block <BB_1530>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1530>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1530>. | **Token:** <BB_1530>
**SMILES:** Nc1c(F)cc(I)c(F)c1F
**Molecular Formula:** C6H3F3IN
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1531>. | CSc1ccc(I)c(C#N)c1 | |
What is the building block token for the following molecule? | CSc1ccc(I)c(C#N)c1 | <BB_1531> |
What is the molecular formula for <BB_1531>? | The molecular formula for <BB_1531> (CSc1ccc(I)c(C#N)c1) is C8H6INS. | |
Describe the ring structures in building block <BB_1531>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1531>. | The molecule contains the following groups: Sulfide, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1531>. | **Token:** <BB_1531>
**SMILES:** CSc1ccc(I)c(C#N)c1
**Molecular Formula:** C8H6INS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Sulfide, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_1532>. | Fc1cc(C(F)(F)F)c(Br)cn1 | |
What is the building block token for the following molecule? | Fc1cc(C(F)(F)F)c(Br)cn1 | <BB_1532> |
What is the molecular formula for <BB_1532>? | The molecular formula for <BB_1532> (Fc1cc(C(F)(F)F)c(Br)cn1) is C6H2BrF4N. | |
Describe the ring structures in building block <BB_1532>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1532>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1532>. | **Token:** <BB_1532>
**SMILES:** Fc1cc(C(F)(F)F)c(Br)cn1
**Molecular Formula:** C6H2BrF4N
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1533>. | C1CSCN1 | |
What is the building block token for the following molecule? | C1CSCN1 | <BB_1533> |
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