instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_9883>? | The molecular formula for <BB_9883> (CC1(C)OC2(CO)CCC1C2) is C9H16O2. | |
Describe the ring structures in building block <BB_9883>. | 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_9883>. | The molecule contains the following groups: Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9883>. | **Token:** <BB_9883>
**SMILES:** CC1(C)OC2(CO)CCC1C2
**Molecular Formula:** C9H16O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_9884>. | CCCC(=O)c1ccccc1 | |
What is the building block token for the following molecule? | CCCC(=O)c1ccccc1 | <BB_9884> |
What is the molecular formula for <BB_9884>? | The molecular formula for <BB_9884> (CCCC(=O)c1ccccc1) is C10H12O. | |
Describe the ring structures in building block <BB_9884>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9884>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_9884>. | **Token:** <BB_9884>
**SMILES:** CCCC(=O)c1ccccc1
**Molecular Formula:** C10H12O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ketone | |
Provide the SMILES representation for the building block token <BB_9885>. | C=CCC(C)CO | |
What is the building block token for the following molecule? | C=CCC(C)CO | <BB_9885> |
What is the molecular formula for <BB_9885>? | The molecular formula for <BB_9885> (C=CCC(C)CO) is C6H12O. | |
Describe the ring structures in building block <BB_9885>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9885>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_9885>. | **Token:** <BB_9885>
**SMILES:** C=CCC(C)CO
**Molecular Formula:** C6H12O
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_9886>. | C#CC(=O)N1CCS(=O)(=O)CC1 | |
What is the building block token for the following molecule? | C#CC(=O)N1CCS(=O)(=O)CC1 | <BB_9886> |
What is the molecular formula for <BB_9886>? | The molecular formula for <BB_9886> (C#CC(=O)N1CCS(=O)(=O)CC1) is C7H9NO3S. | |
Describe the ring structures in building block <BB_9886>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9886>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9886>. | **Token:** <BB_9886>
**SMILES:** C#CC(=O)N1CCS(=O)(=O)CC1
**Molecular Formula:** C7H9NO3S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_9887>. | Cc1ccc(/C=C/S(=O)(=O)Cl)cc1 | |
What is the building block token for the following molecule? | Cc1ccc(/C=C/S(=O)(=O)Cl)cc1 | <BB_9887> |
What is the molecular formula for <BB_9887>? | The molecular formula for <BB_9887> (Cc1ccc(/C=C/S(=O)(=O)Cl)cc1) is C9H9ClO2S. | |
Describe the ring structures in building block <BB_9887>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9887>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9887>. | **Token:** <BB_9887>
**SMILES:** Cc1ccc(/C=C/S(=O)(=O)Cl)cc1
**Molecular Formula:** C9H9ClO2S
**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_9888>. | FC(F)(F)Cc1cc(Br)cc(Br)c1 | |
What is the building block token for the following molecule? | FC(F)(F)Cc1cc(Br)cc(Br)c1 | <BB_9888> |
What is the molecular formula for <BB_9888>? | The molecular formula for <BB_9888> (FC(F)(F)Cc1cc(Br)cc(Br)c1) is C8H5Br2F3. | |
Describe the ring structures in building block <BB_9888>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9888>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9888>. | **Token:** <BB_9888>
**SMILES:** FC(F)(F)Cc1cc(Br)cc(Br)c1
**Molecular Formula:** C8H5Br2F3
**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_9889>. | CC(C)(C)Oc1cccc(S(=O)(=O)Cl)n1 | |
What is the building block token for the following molecule? | CC(C)(C)Oc1cccc(S(=O)(=O)Cl)n1 | <BB_9889> |
What is the molecular formula for <BB_9889>? | The molecular formula for <BB_9889> (CC(C)(C)Oc1cccc(S(=O)(=O)Cl)n1) is C9H12ClNO3S. | |
Describe the ring structures in building block <BB_9889>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9889>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9889>. | **Token:** <BB_9889>
**SMILES:** CC(C)(C)Oc1cccc(S(=O)(=O)Cl)n1
**Molecular Formula:** C9H12ClNO3S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9890>. | Cl.Cl.O=C(NCc1cccnc1)C1CCNCC1 | |
What is the building block token for the following molecule? | Cl.Cl.O=C(NCc1cccnc1)C1CCNCC1 | <BB_9890> |
What is the molecular formula for <BB_9890>? | The molecular formula for <BB_9890> (Cl.Cl.O=C(NCc1cccnc1)C1CCNCC1) is C12H19Cl2N3O. | |
Describe the ring structures in building block <BB_9890>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9890>. | The molecule contains the following groups: Secondary Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9890>. | **Token:** <BB_9890>
**SMILES:** Cl.Cl.O=C(NCc1cccnc1)C1CCNCC1
**Molecular Formula:** C12H19Cl2N3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9891>. | CC(C)(C(=O)O)C(F)F | |
What is the building block token for the following molecule? | CC(C)(C(=O)O)C(F)F | <BB_9891> |
What is the molecular formula for <BB_9891>? | The molecular formula for <BB_9891> (CC(C)(C(=O)O)C(F)F) is C5H8F2O2. | |
Describe the ring structures in building block <BB_9891>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9891>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9891>. | **Token:** <BB_9891>
**SMILES:** CC(C)(C(=O)O)C(F)F
**Molecular Formula:** C5H8F2O2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9892>. | O=S(=O)(Cl)c1ccc(S(=O)(=O)CF)cc1 | |
What is the building block token for the following molecule? | O=S(=O)(Cl)c1ccc(S(=O)(=O)CF)cc1 | <BB_9892> |
What is the molecular formula for <BB_9892>? | The molecular formula for <BB_9892> (O=S(=O)(Cl)c1ccc(S(=O)(=O)CF)cc1) is C7H6ClFO4S2. | |
Describe the ring structures in building block <BB_9892>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9892>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9892>. | **Token:** <BB_9892>
**SMILES:** O=S(=O)(Cl)c1ccc(S(=O)(=O)CF)cc1
**Molecular Formula:** C7H6ClFO4S2
**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_9893>. | C=CC(=O)Nc1ccc(N(C)C)cc1 | |
What is the building block token for the following molecule? | C=CC(=O)Nc1ccc(N(C)C)cc1 | <BB_9893> |
What is the molecular formula for <BB_9893>? | The molecular formula for <BB_9893> (C=CC(=O)Nc1ccc(N(C)C)cc1) is C11H14N2O. | |
Describe the ring structures in building block <BB_9893>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9893>. | The molecule contains the following groups: Tertiary Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9893>. | **Token:** <BB_9893>
**SMILES:** C=CC(=O)Nc1ccc(N(C)C)cc1
**Molecular Formula:** C11H14N2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Amide | |
Provide the SMILES representation for the building block token <BB_9894>. | CC(C)(C)c1ccc(NC(N)=S)cc1 | |
What is the building block token for the following molecule? | CC(C)(C)c1ccc(NC(N)=S)cc1 | <BB_9894> |
What is the molecular formula for <BB_9894>? | The molecular formula for <BB_9894> (CC(C)(C)c1ccc(NC(N)=S)cc1) is C11H16N2S. | |
Describe the ring structures in building block <BB_9894>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9894>. | The molecule contains the following groups: Amine, Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9894>. | **Token:** <BB_9894>
**SMILES:** CC(C)(C)c1ccc(NC(N)=S)cc1
**Molecular Formula:** C11H16N2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine | |
Provide the SMILES representation for the building block token <BB_9895>. | O=C(O)C1(C(=O)NC2CC2)CCC1 | |
What is the building block token for the following molecule? | O=C(O)C1(C(=O)NC2CC2)CCC1 | <BB_9895> |
What is the molecular formula for <BB_9895>? | The molecular formula for <BB_9895> (O=C(O)C1(C(=O)NC2CC2)CCC1) is C9H13NO3. | |
Describe the ring structures in building block <BB_9895>. | The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_9895>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9895>. | **Token:** <BB_9895>
**SMILES:** O=C(O)C1(C(=O)NC2CC2)CCC1
**Molecular Formula:** C9H13NO3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_9896>. | Clc1cc(NCc2ccccc2)ccn1 | |
What is the building block token for the following molecule? | Clc1cc(NCc2ccccc2)ccn1 | <BB_9896> |
What is the molecular formula for <BB_9896>? | The molecular formula for <BB_9896> (Clc1cc(NCc2ccccc2)ccn1) is C12H11ClN2. | |
Describe the ring structures in building block <BB_9896>. | 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_9896>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9896>. | **Token:** <BB_9896>
**SMILES:** Clc1cc(NCc2ccccc2)ccn1
**Molecular Formula:** C12H11ClN2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9897>. | CCC(N)Cc1ccc(F)cc1.Cl | |
What is the building block token for the following molecule? | CCC(N)Cc1ccc(F)cc1.Cl | <BB_9897> |
What is the molecular formula for <BB_9897>? | The molecular formula for <BB_9897> (CCC(N)Cc1ccc(F)cc1.Cl) is C10H15ClFN. | |
Describe the ring structures in building block <BB_9897>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9897>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9897>. | **Token:** <BB_9897>
**SMILES:** CCC(N)Cc1ccc(F)cc1.Cl
**Molecular Formula:** C10H15ClFN
**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_9898>. | Oc1cnn[nH]1 | |
What is the building block token for the following molecule? | Oc1cnn[nH]1 | <BB_9898> |
What is the molecular formula for <BB_9898>? | The molecular formula for <BB_9898> (Oc1cnn[nH]1) is C2H3N3O. | |
Describe the ring structures in building block <BB_9898>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9898>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_9898>. | **Token:** <BB_9898>
**SMILES:** Oc1cnn[nH]1
**Molecular Formula:** C2H3N3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_9899>. | c1ccc2c(c1)CCCC2C1CO1 | |
What is the building block token for the following molecule? | c1ccc2c(c1)CCCC2C1CO1 | <BB_9899> |
What is the molecular formula for <BB_9899>? | The molecular formula for <BB_9899> (c1ccc2c(c1)CCCC2C1CO1) is C12H14O. | |
Describe the ring structures in building block <BB_9899>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_9899>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9899>. | **Token:** <BB_9899>
**SMILES:** c1ccc2c(c1)CCCC2C1CO1
**Molecular Formula:** C12H14O
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Ether |
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