instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_8933>? | The molecular formula for <BB_8933> (CC1(C(=O)O)CC12CCS(=O)(=O)CC2) is C9H14O4S. | |
Describe the ring structures in building block <BB_8933>. | 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_8933>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_8933>. | **Token:** <BB_8933>
**SMILES:** CC1(C(=O)O)CC12CCS(=O)(=O)CC2
**Molecular Formula:** C9H14O4S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_8934>. | Clc1ncnc2ncc(Br)cc12 | |
What is the building block token for the following molecule? | Clc1ncnc2ncc(Br)cc12 | <BB_8934> |
What is the molecular formula for <BB_8934>? | The molecular formula for <BB_8934> (Clc1ncnc2ncc(Br)cc12) is C7H3BrClN3. | |
Describe the ring structures in building block <BB_8934>. | 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_8934>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_8934>. | **Token:** <BB_8934>
**SMILES:** Clc1ncnc2ncc(Br)cc12
**Molecular Formula:** C7H3BrClN3
**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_8935>. | O=C1COC(=O)[N-]1.[K+] | |
What is the building block token for the following molecule? | O=C1COC(=O)[N-]1.[K+] | <BB_8935> |
What is the molecular formula for <BB_8935>? | The molecular formula for <BB_8935> (O=C1COC(=O)[N-]1.[K+]) is C3H2KNO3. | |
Describe the ring structures in building block <BB_8935>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_8935>. | The molecule contains the following groups: Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_8935>. | **Token:** <BB_8935>
**SMILES:** O=C1COC(=O)[N-]1.[K+]
**Molecular Formula:** C3H2KNO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amide, Ether | |
Provide the SMILES representation for the building block token <BB_8936>. | O=C(O)c1ccc(Cl)c(Br)c1 | |
What is the building block token for the following molecule? | O=C(O)c1ccc(Cl)c(Br)c1 | <BB_8936> |
What is the molecular formula for <BB_8936>? | The molecular formula for <BB_8936> (O=C(O)c1ccc(Cl)c(Br)c1) is C7H4BrClO2. | |
Describe the ring structures in building block <BB_8936>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_8936>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_8936>. | **Token:** <BB_8936>
**SMILES:** O=C(O)c1ccc(Cl)c(Br)c1
**Molecular Formula:** C7H4BrClO2
**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_8937>. | COC(=O)c1ccc2cnc(C(=O)OC)cc2c1 | |
What is the building block token for the following molecule? | COC(=O)c1ccc2cnc(C(=O)OC)cc2c1 | <BB_8937> |
What is the molecular formula for <BB_8937>? | The molecular formula for <BB_8937> (COC(=O)c1ccc2cnc(C(=O)OC)cc2c1) is C13H11NO4. | |
Describe the ring structures in building block <BB_8937>. | 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_8937>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_8937>. | **Token:** <BB_8937>
**SMILES:** COC(=O)c1ccc2cnc(C(=O)OC)cc2c1
**Molecular Formula:** C13H11NO4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_8938>. | O=C1C2CCC(O)C1Cc1ccccc12 | |
What is the building block token for the following molecule? | O=C1C2CCC(O)C1Cc1ccccc12 | <BB_8938> |
What is the molecular formula for <BB_8938>? | The molecular formula for <BB_8938> (O=C1C2CCC(O)C1Cc1ccccc12) is C13H14O2. | |
Describe the ring structures in building block <BB_8938>. | The molecule contains 3 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_8938>. | The molecule contains the following groups: Ketone, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_8938>. | **Token:** <BB_8938>
**SMILES:** O=C1C2CCC(O)C1Cc1ccccc12
**Molecular Formula:** C13H14O2
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ketone, Alcohol | |
Provide the SMILES representation for the building block token <BB_8939>. | O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 | |
What is the building block token for the following molecule? | O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 | <BB_8939> |
What is the molecular formula for <BB_8939>? | The molecular formula for <BB_8939> (O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1) is C9H15NO2. | |
Describe the ring structures in building block <BB_8939>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_8939>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_8939>. | **Token:** <BB_8939>
**SMILES:** O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1
**Molecular Formula:** C9H15NO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Secondary Amine | |
Provide the SMILES representation for the building block token <BB_8940>. | CC(C)(C)OC(=O)NCCCC(O)CO | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NCCCC(O)CO | <BB_8940> |
What is the molecular formula for <BB_8940>? | The molecular formula for <BB_8940> (CC(C)(C)OC(=O)NCCCC(O)CO) is C10H21NO4. | |
Describe the ring structures in building block <BB_8940>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_8940>. | The molecule contains the following groups: Amide, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_8940>. | **Token:** <BB_8940>
**SMILES:** CC(C)(C)OC(=O)NCCCC(O)CO
**Molecular Formula:** C10H21NO4
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amide, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_8941>. | O=C(O)C12CC(c3ccc(C(F)(F)F)cc3)(C1)C2F | |
What is the building block token for the following molecule? | O=C(O)C12CC(c3ccc(C(F)(F)F)cc3)(C1)C2F | <BB_8941> |
What is the molecular formula for <BB_8941>? | The molecular formula for <BB_8941> (O=C(O)C12CC(c3ccc(C(F)(F)F)cc3)(C1)C2F) is C13H10F4O2. | |
Describe the ring structures in building block <BB_8941>. | The molecule contains 4 ring(s): an aliphatic ring of size 4, 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_8941>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_8941>. | **Token:** <BB_8941>
**SMILES:** O=C(O)C12CC(c3ccc(C(F)(F)F)cc3)(C1)C2F
**Molecular Formula:** C13H10F4O2
**Ring System:** The molecule contains 4 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4, an aromatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_8942>. | CC(C)(C#N)CBr | |
What is the building block token for the following molecule? | CC(C)(C#N)CBr | <BB_8942> |
What is the molecular formula for <BB_8942>? | The molecular formula for <BB_8942> (CC(C)(C#N)CBr) is C5H8BrN. | |
Describe the ring structures in building block <BB_8942>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_8942>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_8942>. | **Token:** <BB_8942>
**SMILES:** CC(C)(C#N)CBr
**Molecular Formula:** C5H8BrN
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_8943>. | CCOC(=O)c1snnc1N | |
What is the building block token for the following molecule? | CCOC(=O)c1snnc1N | <BB_8943> |
What is the molecular formula for <BB_8943>? | The molecular formula for <BB_8943> (CCOC(=O)c1snnc1N) is C5H7N3O2S. | |
Describe the ring structures in building block <BB_8943>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_8943>. | The molecule contains the following groups: Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_8943>. | **Token:** <BB_8943>
**SMILES:** CCOC(=O)c1snnc1N
**Molecular Formula:** C5H7N3O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_8944>. | Nc1cccc(Cn2ccnc2)c1 | |
What is the building block token for the following molecule? | Nc1cccc(Cn2ccnc2)c1 | <BB_8944> |
What is the molecular formula for <BB_8944>? | The molecular formula for <BB_8944> (Nc1cccc(Cn2ccnc2)c1) is C10H11N3. | |
Describe the ring structures in building block <BB_8944>. | 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_8944>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_8944>. | **Token:** <BB_8944>
**SMILES:** Nc1cccc(Cn2ccnc2)c1
**Molecular Formula:** C10H11N3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_8945>. | Nc1cccnc1Oc1cccnc1 | |
What is the building block token for the following molecule? | Nc1cccnc1Oc1cccnc1 | <BB_8945> |
What is the molecular formula for <BB_8945>? | The molecular formula for <BB_8945> (Nc1cccnc1Oc1cccnc1) is C10H9N3O. | |
Describe the ring structures in building block <BB_8945>. | 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_8945>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_8945>. | **Token:** <BB_8945>
**SMILES:** Nc1cccnc1Oc1cccnc1
**Molecular Formula:** C10H9N3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_8946>. | CCC(CC)C1CNC1.Cl | |
What is the building block token for the following molecule? | CCC(CC)C1CNC1.Cl | <BB_8946> |
What is the molecular formula for <BB_8946>? | The molecular formula for <BB_8946> (CCC(CC)C1CNC1.Cl) is C8H18ClN. | |
Describe the ring structures in building block <BB_8946>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_8946>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_8946>. | **Token:** <BB_8946>
**SMILES:** CCC(CC)C1CNC1.Cl
**Molecular Formula:** C8H18ClN
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_8947>. | OCC(CNCc1ccccc1)C1CCC1 | |
What is the building block token for the following molecule? | OCC(CNCc1ccccc1)C1CCC1 | <BB_8947> |
What is the molecular formula for <BB_8947>? | The molecular formula for <BB_8947> (OCC(CNCc1ccccc1)C1CCC1) is C14H21NO. | |
Describe the ring structures in building block <BB_8947>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_8947>. | The molecule contains the following groups: Secondary Amine, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_8947>. | **Token:** <BB_8947>
**SMILES:** OCC(CNCc1ccccc1)C1CCC1
**Molecular Formula:** C14H21NO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Secondary Amine, Alcohol | |
Provide the SMILES representation for the building block token <BB_8948>. | O=C(O)Cc1csc(-c2cc(Br)cs2)n1 | |
What is the building block token for the following molecule? | O=C(O)Cc1csc(-c2cc(Br)cs2)n1 | <BB_8948> |
What is the molecular formula for <BB_8948>? | The molecular formula for <BB_8948> (O=C(O)Cc1csc(-c2cc(Br)cs2)n1) is C9H6BrNO2S2. | |
Describe the ring structures in building block <BB_8948>. | 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_8948>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_8948>. | **Token:** <BB_8948>
**SMILES:** O=C(O)Cc1csc(-c2cc(Br)cs2)n1
**Molecular Formula:** C9H6BrNO2S2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_8949>. | COc1ccc(OC)c(/C=C/C(=O)O)c1 | |
What is the building block token for the following molecule? | COc1ccc(OC)c(/C=C/C(=O)O)c1 | <BB_8949> |
What is the molecular formula for <BB_8949>? | The molecular formula for <BB_8949> (COc1ccc(OC)c(/C=C/C(=O)O)c1) is C11H12O4. | |
Describe the ring structures in building block <BB_8949>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_8949>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_8949>. | **Token:** <BB_8949>
**SMILES:** COc1ccc(OC)c(/C=C/C(=O)O)c1
**Molecular Formula:** C11H12O4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether |
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