instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_9250>. | Oc1nc(O)c2ccc(Cl)nc2n1 | |
What is the building block token for the following molecule? | Oc1nc(O)c2ccc(Cl)nc2n1 | <BB_9250> |
What is the molecular formula for <BB_9250>? | The molecular formula for <BB_9250> (Oc1nc(O)c2ccc(Cl)nc2n1) is C7H4ClN3O2. | |
Describe the ring structures in building block <BB_9250>. | 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_9250>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9250>. | **Token:** <BB_9250>
**SMILES:** Oc1nc(O)c2ccc(Cl)nc2n1
**Molecular Formula:** C7H4ClN3O2
**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_9251>. | C[C@H](C=O)NC(=O)OC(C)(C)C | |
What is the building block token for the following molecule? | C[C@H](C=O)NC(=O)OC(C)(C)C | <BB_9251> |
What is the molecular formula for <BB_9251>? | The molecular formula for <BB_9251> (C[C@H](C=O)NC(=O)OC(C)(C)C) is C8H15NO3. | |
Describe the ring structures in building block <BB_9251>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9251>. | The molecule contains the following groups: Amide, Aldehyde, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9251>. | **Token:** <BB_9251>
**SMILES:** C[C@H](C=O)NC(=O)OC(C)(C)C
**Molecular Formula:** C8H15NO3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amide, Aldehyde, Ether | |
Provide the SMILES representation for the building block token <BB_9252>. | CC(C)(CC(=O)O)C1CC(=O)C1 | |
What is the building block token for the following molecule? | CC(C)(CC(=O)O)C1CC(=O)C1 | <BB_9252> |
What is the molecular formula for <BB_9252>? | The molecular formula for <BB_9252> (CC(C)(CC(=O)O)C1CC(=O)C1) is C9H14O3. | |
Describe the ring structures in building block <BB_9252>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_9252>. | The molecule contains the following groups: Carboxylic Acid, Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_9252>. | **Token:** <BB_9252>
**SMILES:** CC(C)(CC(=O)O)C1CC(=O)C1
**Molecular Formula:** C9H14O3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid, Ketone | |
Provide the SMILES representation for the building block token <BB_9253>. | Cc1nc(CNC(C(=O)O)C(C)C)cs1.Cl.Cl | |
What is the building block token for the following molecule? | Cc1nc(CNC(C(=O)O)C(C)C)cs1.Cl.Cl | <BB_9253> |
What is the molecular formula for <BB_9253>? | The molecular formula for <BB_9253> (Cc1nc(CNC(C(=O)O)C(C)C)cs1.Cl.Cl) is C10H18Cl2N2O2S. | |
Describe the ring structures in building block <BB_9253>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9253>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9253>. | **Token:** <BB_9253>
**SMILES:** Cc1nc(CNC(C(=O)O)C(C)C)cs1.Cl.Cl
**Molecular Formula:** C10H18Cl2N2O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9254>. | Cl.NCCC1CC1(Br)Br | |
What is the building block token for the following molecule? | Cl.NCCC1CC1(Br)Br | <BB_9254> |
What is the molecular formula for <BB_9254>? | The molecular formula for <BB_9254> (Cl.NCCC1CC1(Br)Br) is C5H10Br2ClN. | |
Describe the ring structures in building block <BB_9254>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_9254>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9254>. | **Token:** <BB_9254>
**SMILES:** Cl.NCCC1CC1(Br)Br
**Molecular Formula:** C5H10Br2ClN
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9255>. | O=C(c1ccccc1)c1ccsn1 | |
What is the building block token for the following molecule? | O=C(c1ccccc1)c1ccsn1 | <BB_9255> |
What is the molecular formula for <BB_9255>? | The molecular formula for <BB_9255> (O=C(c1ccccc1)c1ccsn1) is C10H7NOS. | |
Describe the ring structures in building block <BB_9255>. | 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_9255>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_9255>. | **Token:** <BB_9255>
**SMILES:** O=C(c1ccccc1)c1ccsn1
**Molecular Formula:** C10H7NOS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Ketone | |
Provide the SMILES representation for the building block token <BB_9256>. | CC(=O)c1cnn2c1OCCC2 | |
What is the building block token for the following molecule? | CC(=O)c1cnn2c1OCCC2 | <BB_9256> |
What is the molecular formula for <BB_9256>? | The molecular formula for <BB_9256> (CC(=O)c1cnn2c1OCCC2) is C8H10N2O2. | |
Describe the ring structures in building block <BB_9256>. | 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_9256>. | The molecule contains the following groups: Ketone, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9256>. | **Token:** <BB_9256>
**SMILES:** CC(=O)c1cnn2c1OCCC2
**Molecular Formula:** C8H10N2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Ketone, Ether | |
Provide the SMILES representation for the building block token <BB_9257>. | CC(C)(C)OC(=O)NCC12CC(CN)(C1)C2(F)F | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NCC12CC(CN)(C1)C2(F)F | <BB_9257> |
What is the molecular formula for <BB_9257>? | The molecular formula for <BB_9257> (CC(C)(C)OC(=O)NCC12CC(CN)(C1)C2(F)F) is C12H20F2N2O2. | |
Describe the ring structures in building block <BB_9257>. | The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_9257>. | The molecule contains the following groups: Amine, Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9257>. | **Token:** <BB_9257>
**SMILES:** CC(C)(C)OC(=O)NCC12CC(CN)(C1)C2(F)F
**Molecular Formula:** C12H20F2N2O2
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4, an aliphatic ring of size 4.
**Functional Groups:** Amine, Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9258>. | NC(=O)C1C(=O)c2ccccc2C1c1ccccc1 | |
What is the building block token for the following molecule? | NC(=O)C1C(=O)c2ccccc2C1c1ccccc1 | <BB_9258> |
What is the molecular formula for <BB_9258>? | The molecular formula for <BB_9258> (NC(=O)C1C(=O)c2ccccc2C1c1ccccc1) is C16H13NO2. | |
Describe the ring structures in building block <BB_9258>. | The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9258>. | The molecule contains the following groups: Amide, Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_9258>. | **Token:** <BB_9258>
**SMILES:** NC(=O)C1C(=O)c2ccccc2C1c1ccccc1
**Molecular Formula:** C16H13NO2
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amide, Ketone | |
Provide the SMILES representation for the building block token <BB_9259>. | Cc1nc2nccc(C)c2[nH]1 | |
What is the building block token for the following molecule? | Cc1nc2nccc(C)c2[nH]1 | <BB_9259> |
What is the molecular formula for <BB_9259>? | The molecular formula for <BB_9259> (Cc1nc2nccc(C)c2[nH]1) is C8H9N3. | |
Describe the ring structures in building block <BB_9259>. | 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_9259>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_9259>. | **Token:** <BB_9259>
**SMILES:** Cc1nc2nccc(C)c2[nH]1
**Molecular Formula:** C8H9N3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_9260>. | Nc1nc2cnc(Cl)cc2s1 | |
What is the building block token for the following molecule? | Nc1nc2cnc(Cl)cc2s1 | <BB_9260> |
What is the molecular formula for <BB_9260>? | The molecular formula for <BB_9260> (Nc1nc2cnc(Cl)cc2s1) is C6H4ClN3S. | |
Describe the ring structures in building block <BB_9260>. | 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_9260>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9260>. | **Token:** <BB_9260>
**SMILES:** Nc1nc2cnc(Cl)cc2s1
**Molecular Formula:** C6H4ClN3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9261>. | OC1CC2ON=C(Br)C2C1 | |
What is the building block token for the following molecule? | OC1CC2ON=C(Br)C2C1 | <BB_9261> |
What is the molecular formula for <BB_9261>? | The molecular formula for <BB_9261> (OC1CC2ON=C(Br)C2C1) is C6H8BrNO2. | |
Describe the ring structures in building block <BB_9261>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9261>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9261>. | **Token:** <BB_9261>
**SMILES:** OC1CC2ON=C(Br)C2C1
**Molecular Formula:** C6H8BrNO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9262>. | NC(=O)COc1ccc(C=O)cc1 | |
What is the building block token for the following molecule? | NC(=O)COc1ccc(C=O)cc1 | <BB_9262> |
What is the molecular formula for <BB_9262>? | The molecular formula for <BB_9262> (NC(=O)COc1ccc(C=O)cc1) is C9H9NO3. | |
Describe the ring structures in building block <BB_9262>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9262>. | The molecule contains the following groups: Amide, Aldehyde, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9262>. | **Token:** <BB_9262>
**SMILES:** NC(=O)COc1ccc(C=O)cc1
**Molecular Formula:** C9H9NO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Aldehyde, Ether | |
Provide the SMILES representation for the building block token <BB_9263>. | NC(=O)CN1CCN(CCO)CC1 | |
What is the building block token for the following molecule? | NC(=O)CN1CCN(CCO)CC1 | <BB_9263> |
What is the molecular formula for <BB_9263>? | The molecular formula for <BB_9263> (NC(=O)CN1CCN(CCO)CC1) is C8H17N3O2. | |
Describe the ring structures in building block <BB_9263>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9263>. | The molecule contains the following groups: Tertiary Amine, Amide, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_9263>. | **Token:** <BB_9263>
**SMILES:** NC(=O)CN1CCN(CCO)CC1
**Molecular Formula:** C8H17N3O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Amide, Alcohol | |
Provide the SMILES representation for the building block token <BB_9264>. | COC(C)(C)CCS(=O)(=O)Cl | |
What is the building block token for the following molecule? | COC(C)(C)CCS(=O)(=O)Cl | <BB_9264> |
What is the molecular formula for <BB_9264>? | The molecular formula for <BB_9264> (COC(C)(C)CCS(=O)(=O)Cl) is C6H13ClO3S. | |
Describe the ring structures in building block <BB_9264>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9264>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9264>. | **Token:** <BB_9264>
**SMILES:** COC(C)(C)CCS(=O)(=O)Cl
**Molecular Formula:** C6H13ClO3S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9265>. | COc1ccccc1C(N)CC(C)C | |
What is the building block token for the following molecule? | COc1ccccc1C(N)CC(C)C | <BB_9265> |
What is the molecular formula for <BB_9265>? | The molecular formula for <BB_9265> (COc1ccccc1C(N)CC(C)C) is C12H19NO. | |
Describe the ring structures in building block <BB_9265>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9265>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9265>. | **Token:** <BB_9265>
**SMILES:** COc1ccccc1C(N)CC(C)C
**Molecular Formula:** C12H19NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_9266>. | O=C1CCc2cc(Cl)ccc2N1 | |
What is the building block token for the following molecule? | O=C1CCc2cc(Cl)ccc2N1 | <BB_9266> |
What is the molecular formula for <BB_9266>? | The molecular formula for <BB_9266> (O=C1CCc2cc(Cl)ccc2N1) is C9H8ClNO. | |
Describe the ring structures in building block <BB_9266>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6. |
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