instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_9933>? | The molecular formula for <BB_9933> (COC(=O)/C=C/c1ccc(Cl)s1) is C8H7ClO2S. | |
Describe the ring structures in building block <BB_9933>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9933>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9933>. | **Token:** <BB_9933>
**SMILES:** COC(=O)/C=C/c1ccc(Cl)s1
**Molecular Formula:** C8H7ClO2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9934>. | CC(=O)C1CO1 | |
What is the building block token for the following molecule? | CC(=O)C1CO1 | <BB_9934> |
What is the molecular formula for <BB_9934>? | The molecular formula for <BB_9934> (CC(=O)C1CO1) is C4H6O2. | |
Describe the ring structures in building block <BB_9934>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_9934>. | The molecule contains the following groups: Ketone, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9934>. | **Token:** <BB_9934>
**SMILES:** CC(=O)C1CO1
**Molecular Formula:** C4H6O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Ketone, Ether | |
Provide the SMILES representation for the building block token <BB_9935>. | CCOC(=O)C(C(=O)C(F)(F)F)C(F)(F)F | |
What is the building block token for the following molecule? | CCOC(=O)C(C(=O)C(F)(F)F)C(F)(F)F | <BB_9935> |
What is the molecular formula for <BB_9935>? | The molecular formula for <BB_9935> (CCOC(=O)C(C(=O)C(F)(F)F)C(F)(F)F) is C7H6F6O3. | |
Describe the ring structures in building block <BB_9935>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9935>. | The molecule contains the following groups: Ester, Ketone, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9935>. | **Token:** <BB_9935>
**SMILES:** CCOC(=O)C(C(=O)C(F)(F)F)C(F)(F)F
**Molecular Formula:** C7H6F6O3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ester, Ketone, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9936>. | C[C@@H](O)[C@@H](N)CO | |
What is the building block token for the following molecule? | C[C@@H](O)[C@@H](N)CO | <BB_9936> |
What is the molecular formula for <BB_9936>? | The molecular formula for <BB_9936> (C[C@@H](O)[C@@H](N)CO) is C4H11NO2. | |
Describe the ring structures in building block <BB_9936>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9936>. | The molecule contains the following groups: Amine, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_9936>. | **Token:** <BB_9936>
**SMILES:** C[C@@H](O)[C@@H](N)CO
**Molecular Formula:** C4H11NO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Alcohol | |
Provide the SMILES representation for the building block token <BB_9937>. | Cl.N#Cc1ccccc1Cc1cnc(N)s1 | |
What is the building block token for the following molecule? | Cl.N#Cc1ccccc1Cc1cnc(N)s1 | <BB_9937> |
What is the molecular formula for <BB_9937>? | The molecular formula for <BB_9937> (Cl.N#Cc1ccccc1Cc1cnc(N)s1) is C11H10ClN3S. | |
Describe the ring structures in building block <BB_9937>. | 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_9937>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_9937>. | **Token:** <BB_9937>
**SMILES:** Cl.N#Cc1ccccc1Cc1cnc(N)s1
**Molecular Formula:** C11H10ClN3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_9938>. | CN1C(=O)c2ccc(S(N)(=O)=O)cc2C1=O | |
What is the building block token for the following molecule? | CN1C(=O)c2ccc(S(N)(=O)=O)cc2C1=O | <BB_9938> |
What is the molecular formula for <BB_9938>? | The molecular formula for <BB_9938> (CN1C(=O)c2ccc(S(N)(=O)=O)cc2C1=O) is C9H8N2O4S. | |
Describe the ring structures in building block <BB_9938>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9938>. | The molecule contains the following groups: Amine, Amide, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_9938>. | **Token:** <BB_9938>
**SMILES:** CN1C(=O)c2ccc(S(N)(=O)=O)cc2C1=O
**Molecular Formula:** C9H8N2O4S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_9939>. | FC(F)(F)c1ccc(Br)cc1-c1nnn[nH]1 | |
What is the building block token for the following molecule? | FC(F)(F)c1ccc(Br)cc1-c1nnn[nH]1 | <BB_9939> |
What is the molecular formula for <BB_9939>? | The molecular formula for <BB_9939> (FC(F)(F)c1ccc(Br)cc1-c1nnn[nH]1) is C8H4BrF3N4. | |
Describe the ring structures in building block <BB_9939>. | 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_9939>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9939>. | **Token:** <BB_9939>
**SMILES:** FC(F)(F)c1ccc(Br)cc1-c1nnn[nH]1
**Molecular Formula:** C8H4BrF3N4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9940>. | CCOC(CN)(OCC)c1ccccn1 | |
What is the building block token for the following molecule? | CCOC(CN)(OCC)c1ccccn1 | <BB_9940> |
What is the molecular formula for <BB_9940>? | The molecular formula for <BB_9940> (CCOC(CN)(OCC)c1ccccn1) is C11H18N2O2. | |
Describe the ring structures in building block <BB_9940>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9940>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9940>. | **Token:** <BB_9940>
**SMILES:** CCOC(CN)(OCC)c1ccccn1
**Molecular Formula:** C11H18N2O2
**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_9941>. | CC(F)(F)c1cccnc1N | |
What is the building block token for the following molecule? | CC(F)(F)c1cccnc1N | <BB_9941> |
What is the molecular formula for <BB_9941>? | The molecular formula for <BB_9941> (CC(F)(F)c1cccnc1N) is C7H8F2N2. | |
Describe the ring structures in building block <BB_9941>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9941>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9941>. | **Token:** <BB_9941>
**SMILES:** CC(F)(F)c1cccnc1N
**Molecular Formula:** C7H8F2N2
**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_9942>. | CNCc1ncnn1C.Cl | |
What is the building block token for the following molecule? | CNCc1ncnn1C.Cl | <BB_9942> |
What is the molecular formula for <BB_9942>? | The molecular formula for <BB_9942> (CNCc1ncnn1C.Cl) is C5H11ClN4. | |
Describe the ring structures in building block <BB_9942>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9942>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9942>. | **Token:** <BB_9942>
**SMILES:** CNCc1ncnn1C.Cl
**Molecular Formula:** C5H11ClN4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9943>. | Cc1cc(C)cc(Oc2nn(C)cc2N)c1 | |
What is the building block token for the following molecule? | Cc1cc(C)cc(Oc2nn(C)cc2N)c1 | <BB_9943> |
What is the molecular formula for <BB_9943>? | The molecular formula for <BB_9943> (Cc1cc(C)cc(Oc2nn(C)cc2N)c1) is C12H15N3O. | |
Describe the ring structures in building block <BB_9943>. | 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_9943>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9943>. | **Token:** <BB_9943>
**SMILES:** Cc1cc(C)cc(Oc2nn(C)cc2N)c1
**Molecular Formula:** C12H15N3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_9944>. | NNc1cccc(F)c1[N+](=O)[O-] | |
What is the building block token for the following molecule? | NNc1cccc(F)c1[N+](=O)[O-] | <BB_9944> |
What is the molecular formula for <BB_9944>? | The molecular formula for <BB_9944> (NNc1cccc(F)c1[N+](=O)[O-]) is C6H6FN3O2. | |
Describe the ring structures in building block <BB_9944>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9944>. | The molecule contains the following groups: Amine, Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_9944>. | **Token:** <BB_9944>
**SMILES:** NNc1cccc(F)c1[N+](=O)[O-]
**Molecular Formula:** C6H6FN3O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_9945>. | CN(C)C(=O)COc1ccc(N)cc1 | |
What is the building block token for the following molecule? | CN(C)C(=O)COc1ccc(N)cc1 | <BB_9945> |
What is the molecular formula for <BB_9945>? | The molecular formula for <BB_9945> (CN(C)C(=O)COc1ccc(N)cc1) is C10H14N2O2. | |
Describe the ring structures in building block <BB_9945>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9945>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9945>. | **Token:** <BB_9945>
**SMILES:** CN(C)C(=O)COc1ccc(N)cc1
**Molecular Formula:** C10H14N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_9946>. | CC1(c2ccc(N)cc2)CC(=O)NC1=O.Cl | |
What is the building block token for the following molecule? | CC1(c2ccc(N)cc2)CC(=O)NC1=O.Cl | <BB_9946> |
What is the molecular formula for <BB_9946>? | The molecular formula for <BB_9946> (CC1(c2ccc(N)cc2)CC(=O)NC1=O.Cl) is C11H13ClN2O2. | |
Describe the ring structures in building block <BB_9946>. | 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_9946>. | The molecule contains the following groups: Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9946>. | **Token:** <BB_9946>
**SMILES:** CC1(c2ccc(N)cc2)CC(=O)NC1=O.Cl
**Molecular Formula:** C11H13ClN2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9947>. | [N-]=[N+]=Nc1ccc2ncccc2c1 | |
What is the building block token for the following molecule? | [N-]=[N+]=Nc1ccc2ncccc2c1 | <BB_9947> |
What is the molecular formula for <BB_9947>? | The molecular formula for <BB_9947> ([N-]=[N+]=Nc1ccc2ncccc2c1) is C9H6N4. | |
Describe the ring structures in building block <BB_9947>. | 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_9947>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_9947>. | **Token:** <BB_9947>
**SMILES:** [N-]=[N+]=Nc1ccc2ncccc2c1
**Molecular Formula:** C9H6N4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_9948>. | CP(C)(=O)c1ccccc1F | |
What is the building block token for the following molecule? | CP(C)(=O)c1ccccc1F | <BB_9948> |
What is the molecular formula for <BB_9948>? | The molecular formula for <BB_9948> (CP(C)(=O)c1ccccc1F) is C8H10FOP. | |
Describe the ring structures in building block <BB_9948>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9948>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9948>. | **Token:** <BB_9948>
**SMILES:** CP(C)(=O)c1ccccc1F
**Molecular Formula:** C8H10FOP
**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_9949>. | COc1ccc(Cl)cc1Cl | |
What is the building block token for the following molecule? | COc1ccc(Cl)cc1Cl | <BB_9949> |
What is the molecular formula for <BB_9949>? | The molecular formula for <BB_9949> (COc1ccc(Cl)cc1Cl) is C7H6Cl2O. | |
Describe the ring structures in building block <BB_9949>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9949>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9949>. | **Token:** <BB_9949>
**SMILES:** COc1ccc(Cl)cc1Cl
**Molecular Formula:** C7H6Cl2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) |
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