instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_9683>? | The molecular formula for <BB_9683> (CC(C)(C)OC(=O)N1C2C(CC[C@H]1CN)C2(F)F) is C12H20F2N2O2. | |
Describe the ring structures in building block <BB_9683>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_9683>. | The molecule contains the following groups: Amine, Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9683>. | **Token:** <BB_9683>
**SMILES:** CC(C)(C)OC(=O)N1C2C(CC[C@H]1CN)C2(F)F
**Molecular Formula:** C12H20F2N2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Amine, Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9684>. | COC(=O)C(C)Nc1ccc([N+](=O)[O-])cc1 | |
What is the building block token for the following molecule? | COC(=O)C(C)Nc1ccc([N+](=O)[O-])cc1 | <BB_9684> |
What is the molecular formula for <BB_9684>? | The molecular formula for <BB_9684> (COC(=O)C(C)Nc1ccc([N+](=O)[O-])cc1) is C10H12N2O4. | |
Describe the ring structures in building block <BB_9684>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9684>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Ester, Ether, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_9684>. | **Token:** <BB_9684>
**SMILES:** COC(=O)C(C)Nc1ccc([N+](=O)[O-])cc1
**Molecular Formula:** C10H12N2O4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Ester, Ether, Nitro | |
Provide the SMILES representation for the building block token <BB_9685>. | O=C(O)c1ccnn1-c1ccc(Br)cc1 | |
What is the building block token for the following molecule? | O=C(O)c1ccnn1-c1ccc(Br)cc1 | <BB_9685> |
What is the molecular formula for <BB_9685>? | The molecular formula for <BB_9685> (O=C(O)c1ccnn1-c1ccc(Br)cc1) is C10H7BrN2O2. | |
Describe the ring structures in building block <BB_9685>. | 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_9685>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9685>. | **Token:** <BB_9685>
**SMILES:** O=C(O)c1ccnn1-c1ccc(Br)cc1
**Molecular Formula:** C10H7BrN2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, 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_9686>. | NC1=NCC2(CCC(c3ccccc3)CC2)O1 | |
What is the building block token for the following molecule? | NC1=NCC2(CCC(c3ccccc3)CC2)O1 | <BB_9686> |
What is the molecular formula for <BB_9686>? | The molecular formula for <BB_9686> (NC1=NCC2(CCC(c3ccccc3)CC2)O1) is C14H18N2O. | |
Describe the ring structures in building block <BB_9686>. | The molecule contains 3 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9686>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9686>. | **Token:** <BB_9686>
**SMILES:** NC1=NCC2(CCC(c3ccccc3)CC2)O1
**Molecular Formula:** C14H18N2O
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_9687>. | CC(C)(C)Oc1cc(CN)ccn1 | |
What is the building block token for the following molecule? | CC(C)(C)Oc1cc(CN)ccn1 | <BB_9687> |
What is the molecular formula for <BB_9687>? | The molecular formula for <BB_9687> (CC(C)(C)Oc1cc(CN)ccn1) is C10H16N2O. | |
Describe the ring structures in building block <BB_9687>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9687>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9687>. | **Token:** <BB_9687>
**SMILES:** CC(C)(C)Oc1cc(CN)ccn1
**Molecular Formula:** C10H16N2O
**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_9688>. | C#CCC1(C(=O)O)CC1 | |
What is the building block token for the following molecule? | C#CCC1(C(=O)O)CC1 | <BB_9688> |
What is the molecular formula for <BB_9688>? | The molecular formula for <BB_9688> (C#CCC1(C(=O)O)CC1) is C7H8O2. | |
Describe the ring structures in building block <BB_9688>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_9688>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_9688>. | **Token:** <BB_9688>
**SMILES:** C#CCC1(C(=O)O)CC1
**Molecular Formula:** C7H8O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_9689>. | CCNCCO.Cl | |
What is the building block token for the following molecule? | CCNCCO.Cl | <BB_9689> |
What is the molecular formula for <BB_9689>? | The molecular formula for <BB_9689> (CCNCCO.Cl) is C4H12ClNO. | |
Describe the ring structures in building block <BB_9689>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9689>. | The molecule contains the following groups: Secondary Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9689>. | **Token:** <BB_9689>
**SMILES:** CCNCCO.Cl
**Molecular Formula:** C4H12ClNO
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Secondary Amine, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9690>. | FC(F)c1cnc2ccccc2c1 | |
What is the building block token for the following molecule? | FC(F)c1cnc2ccccc2c1 | <BB_9690> |
What is the molecular formula for <BB_9690>? | The molecular formula for <BB_9690> (FC(F)c1cnc2ccccc2c1) is C10H7F2N. | |
Describe the ring structures in building block <BB_9690>. | 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_9690>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9690>. | **Token:** <BB_9690>
**SMILES:** FC(F)c1cnc2ccccc2c1
**Molecular Formula:** C10H7F2N
**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_9691>. | O=CC12CC(F)(C1)C2 | |
What is the building block token for the following molecule? | O=CC12CC(F)(C1)C2 | <BB_9691> |
What is the molecular formula for <BB_9691>? | The molecular formula for <BB_9691> (O=CC12CC(F)(C1)C2) is C6H7FO. | |
Describe the ring structures in building block <BB_9691>. | 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_9691>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9691>. | **Token:** <BB_9691>
**SMILES:** O=CC12CC(F)(C1)C2
**Molecular Formula:** C6H7FO
**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:** Aldehyde, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9692>. | COc1ccc(C(=O)C(C)C)cc1 | |
What is the building block token for the following molecule? | COc1ccc(C(=O)C(C)C)cc1 | <BB_9692> |
What is the molecular formula for <BB_9692>? | The molecular formula for <BB_9692> (COc1ccc(C(=O)C(C)C)cc1) is C11H14O2. | |
Describe the ring structures in building block <BB_9692>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9692>. | The molecule contains the following groups: Ketone, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9692>. | **Token:** <BB_9692>
**SMILES:** COc1ccc(C(=O)C(C)C)cc1
**Molecular Formula:** C11H14O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ketone, Ether | |
Provide the SMILES representation for the building block token <BB_9693>. | NC(Cc1ccc(F)cc1)c1ccccc1 | |
What is the building block token for the following molecule? | NC(Cc1ccc(F)cc1)c1ccccc1 | <BB_9693> |
What is the molecular formula for <BB_9693>? | The molecular formula for <BB_9693> (NC(Cc1ccc(F)cc1)c1ccccc1) is C14H14FN. | |
Describe the ring structures in building block <BB_9693>. | 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_9693>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9693>. | **Token:** <BB_9693>
**SMILES:** NC(Cc1ccc(F)cc1)c1ccccc1
**Molecular Formula:** C14H14FN
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9694>. | CC(C)(C)NS(=O)(=O)c1ccc(O)cc1 | |
What is the building block token for the following molecule? | CC(C)(C)NS(=O)(=O)c1ccc(O)cc1 | <BB_9694> |
What is the molecular formula for <BB_9694>? | The molecular formula for <BB_9694> (CC(C)(C)NS(=O)(=O)c1ccc(O)cc1) is C10H15NO3S. | |
Describe the ring structures in building block <BB_9694>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9694>. | The molecule contains the following groups: Secondary Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_9694>. | **Token:** <BB_9694>
**SMILES:** CC(C)(C)NS(=O)(=O)c1ccc(O)cc1
**Molecular Formula:** C10H15NO3S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_9695>. | O=C(O)CCNC(=O)c1cc(=O)c2ccccc2o1 | |
What is the building block token for the following molecule? | O=C(O)CCNC(=O)c1cc(=O)c2ccccc2o1 | <BB_9695> |
What is the molecular formula for <BB_9695>? | The molecular formula for <BB_9695> (O=C(O)CCNC(=O)c1cc(=O)c2ccccc2o1) is C13H11NO5. | |
Describe the ring structures in building block <BB_9695>. | 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_9695>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9695>. | **Token:** <BB_9695>
**SMILES:** O=C(O)CCNC(=O)c1cc(=O)c2ccccc2o1
**Molecular Formula:** C13H11NO5
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_9696>. | CC1(NC(=O)C2CC2)CCS(=O)(=O)C1 | |
What is the building block token for the following molecule? | CC1(NC(=O)C2CC2)CCS(=O)(=O)C1 | <BB_9696> |
What is the molecular formula for <BB_9696>? | The molecular formula for <BB_9696> (CC1(NC(=O)C2CC2)CCS(=O)(=O)C1) is C9H15NO3S. | |
Describe the ring structures in building block <BB_9696>. | The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9696>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9696>. | **Token:** <BB_9696>
**SMILES:** CC1(NC(=O)C2CC2)CCS(=O)(=O)C1
**Molecular Formula:** C9H15NO3S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 5.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_9697>. | O=C1CC(c2ccccc2)C12CC(F)(F)C2 | |
What is the building block token for the following molecule? | O=C1CC(c2ccccc2)C12CC(F)(F)C2 | <BB_9697> |
What is the molecular formula for <BB_9697>? | The molecular formula for <BB_9697> (O=C1CC(c2ccccc2)C12CC(F)(F)C2) is C13H12F2O. | |
Describe the ring structures in building block <BB_9697>. | The molecule contains 3 ring(s): an aliphatic ring of size 4, an aromatic ring of size 6, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_9697>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9697>. | **Token:** <BB_9697>
**SMILES:** O=C1CC(c2ccccc2)C12CC(F)(F)C2
**Molecular Formula:** C13H12F2O
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 4, an aromatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9698>. | CC1CCOCC1N.Cl | |
What is the building block token for the following molecule? | CC1CCOCC1N.Cl | <BB_9698> |
What is the molecular formula for <BB_9698>? | The molecular formula for <BB_9698> (CC1CCOCC1N.Cl) is C6H14ClNO. | |
Describe the ring structures in building block <BB_9698>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9698>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9698>. | **Token:** <BB_9698>
**SMILES:** CC1CCOCC1N.Cl
**Molecular Formula:** C6H14ClNO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9699>. | CC(Cl)c1nc(-c2nnc[nH]2)no1 | |
What is the building block token for the following molecule? | CC(Cl)c1nc(-c2nnc[nH]2)no1 | <BB_9699> |
What is the molecular formula for <BB_9699>? | The molecular formula for <BB_9699> (CC(Cl)c1nc(-c2nnc[nH]2)no1) is C6H6ClN5O. | |
Describe the ring structures in building block <BB_9699>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9699>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9699>. | **Token:** <BB_9699>
**SMILES:** CC(Cl)c1nc(-c2nnc[nH]2)no1
**Molecular Formula:** C6H6ClN5O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) |
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