instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_9116>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_9116>. | **Token:** <BB_9116>
**SMILES:** OCC#Cc1ncccn1
**Molecular Formula:** C7H6N2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_9117>. | CNCc1cc(C(=O)O)n(C)n1.Cl | |
What is the building block token for the following molecule? | CNCc1cc(C(=O)O)n(C)n1.Cl | <BB_9117> |
What is the molecular formula for <BB_9117>? | The molecular formula for <BB_9117> (CNCc1cc(C(=O)O)n(C)n1.Cl) is C7H12ClN3O2. | |
Describe the ring structures in building block <BB_9117>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9117>. | 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_9117>. | **Token:** <BB_9117>
**SMILES:** CNCc1cc(C(=O)O)n(C)n1.Cl
**Molecular Formula:** C7H12ClN3O2
**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_9118>. | Cl.N#Cc1n[nH]c2cc(Br)cnc12 | |
What is the building block token for the following molecule? | Cl.N#Cc1n[nH]c2cc(Br)cnc12 | <BB_9118> |
What is the molecular formula for <BB_9118>? | The molecular formula for <BB_9118> (Cl.N#Cc1n[nH]c2cc(Br)cnc12) is C7H4BrClN4. | |
Describe the ring structures in building block <BB_9118>. | 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_9118>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_9118>. | **Token:** <BB_9118>
**SMILES:** Cl.N#Cc1n[nH]c2cc(Br)cnc12
**Molecular Formula:** C7H4BrClN4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_9119>. | CC(C)(C=O)COC1CCCC1 | |
What is the building block token for the following molecule? | CC(C)(C=O)COC1CCCC1 | <BB_9119> |
What is the molecular formula for <BB_9119>? | The molecular formula for <BB_9119> (CC(C)(C=O)COC1CCCC1) is C10H18O2. | |
Describe the ring structures in building block <BB_9119>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9119>. | The molecule contains the following groups: Aldehyde, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9119>. | **Token:** <BB_9119>
**SMILES:** CC(C)(C=O)COC1CCCC1
**Molecular Formula:** C10H18O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Aldehyde, Ether | |
Provide the SMILES representation for the building block token <BB_9120>. | Cc1c(C(=O)O)sc2nc3n(c(=O)c12)CCC3 | |
What is the building block token for the following molecule? | Cc1c(C(=O)O)sc2nc3n(c(=O)c12)CCC3 | <BB_9120> |
What is the molecular formula for <BB_9120>? | The molecular formula for <BB_9120> (Cc1c(C(=O)O)sc2nc3n(c(=O)c12)CCC3) is C11H10N2O3S. | |
Describe the ring structures in building block <BB_9120>. | The molecule contains 3 ring(s): an aromatic ring of size 5, an aromatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9120>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_9120>. | **Token:** <BB_9120>
**SMILES:** Cc1c(C(=O)O)sc2nc3n(c(=O)c12)CCC3
**Molecular Formula:** C11H10N2O3S
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 5, an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_9121>. | O=C(O)CCCCC(F)F | |
What is the building block token for the following molecule? | O=C(O)CCCCC(F)F | <BB_9121> |
What is the molecular formula for <BB_9121>? | The molecular formula for <BB_9121> (O=C(O)CCCCC(F)F) is C6H10F2O2. | |
Describe the ring structures in building block <BB_9121>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9121>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9121>. | **Token:** <BB_9121>
**SMILES:** O=C(O)CCCCC(F)F
**Molecular Formula:** C6H10F2O2
**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_9122>. | O=C(CO)Nc1cccc([N+](=O)[O-])c1 | |
What is the building block token for the following molecule? | O=C(CO)Nc1cccc([N+](=O)[O-])c1 | <BB_9122> |
What is the molecular formula for <BB_9122>? | The molecular formula for <BB_9122> (O=C(CO)Nc1cccc([N+](=O)[O-])c1) is C8H8N2O4. | |
Describe the ring structures in building block <BB_9122>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9122>. | The molecule contains the following groups: Tertiary Amine, Amide, Alcohol, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_9122>. | **Token:** <BB_9122>
**SMILES:** O=C(CO)Nc1cccc([N+](=O)[O-])c1
**Molecular Formula:** C8H8N2O4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Amide, Alcohol, Nitro | |
Provide the SMILES representation for the building block token <BB_9123>. | Cc1nnccc1N.Cl | |
What is the building block token for the following molecule? | Cc1nnccc1N.Cl | <BB_9123> |
What is the molecular formula for <BB_9123>? | The molecular formula for <BB_9123> (Cc1nnccc1N.Cl) is C5H8ClN3. | |
Describe the ring structures in building block <BB_9123>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9123>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9123>. | **Token:** <BB_9123>
**SMILES:** Cc1nnccc1N.Cl
**Molecular Formula:** C5H8ClN3
**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_9124>. | NNC(=O)c1ccccc1N | |
What is the building block token for the following molecule? | NNC(=O)c1ccccc1N | <BB_9124> |
What is the molecular formula for <BB_9124>? | The molecular formula for <BB_9124> (NNC(=O)c1ccccc1N) is C7H9N3O. | |
Describe the ring structures in building block <BB_9124>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9124>. | The molecule contains the following groups: Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9124>. | **Token:** <BB_9124>
**SMILES:** NNC(=O)c1ccccc1N
**Molecular Formula:** C7H9N3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Amide | |
Provide the SMILES representation for the building block token <BB_9125>. | CC(C)c1cc[nH]n1 | |
What is the building block token for the following molecule? | CC(C)c1cc[nH]n1 | <BB_9125> |
What is the molecular formula for <BB_9125>? | The molecular formula for <BB_9125> (CC(C)c1cc[nH]n1) is C6H10N2. | |
Describe the ring structures in building block <BB_9125>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9125>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_9125>. | **Token:** <BB_9125>
**SMILES:** CC(C)c1cc[nH]n1
**Molecular Formula:** C6H10N2
**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_9126>. | CC(C)CC(C)N(C)C(=O)CCl | |
What is the building block token for the following molecule? | CC(C)CC(C)N(C)C(=O)CCl | <BB_9126> |
What is the molecular formula for <BB_9126>? | The molecular formula for <BB_9126> (CC(C)CC(C)N(C)C(=O)CCl) is C9H18ClNO. | |
Describe the ring structures in building block <BB_9126>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9126>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9126>. | **Token:** <BB_9126>
**SMILES:** CC(C)CC(C)N(C)C(=O)CCl
**Molecular Formula:** C9H18ClNO
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9127>. | Cl.O=C(O)C1CC2(CCCN2)C1 | |
What is the building block token for the following molecule? | Cl.O=C(O)C1CC2(CCCN2)C1 | <BB_9127> |
What is the molecular formula for <BB_9127>? | The molecular formula for <BB_9127> (Cl.O=C(O)C1CC2(CCCN2)C1) is C8H14ClNO2. | |
Describe the ring structures in building block <BB_9127>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9127>. | 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_9127>. | **Token:** <BB_9127>
**SMILES:** Cl.O=C(O)C1CC2(CCCN2)C1
**Molecular Formula:** C8H14ClNO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic 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_9128>. | FC1(F)CCC(CS)C1 | |
What is the building block token for the following molecule? | FC1(F)CCC(CS)C1 | <BB_9128> |
What is the molecular formula for <BB_9128>? | The molecular formula for <BB_9128> (FC1(F)CCC(CS)C1) is C6H10F2S. | |
Describe the ring structures in building block <BB_9128>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9128>. | The molecule contains the following groups: Thiol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9128>. | **Token:** <BB_9128>
**SMILES:** FC1(F)CCC(CS)C1
**Molecular Formula:** C6H10F2S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Thiol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9129>. | [C-]#[N+]CS(=O)(=O)c1ccc(C)cc1 | |
What is the building block token for the following molecule? | [C-]#[N+]CS(=O)(=O)c1ccc(C)cc1 | <BB_9129> |
What is the molecular formula for <BB_9129>? | The molecular formula for <BB_9129> ([C-]#[N+]CS(=O)(=O)c1ccc(C)cc1) is C9H9NO2S. | |
Describe the ring structures in building block <BB_9129>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9129>. | The molecule contains the following groups: Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_9129>. | **Token:** <BB_9129>
**SMILES:** [C-]#[N+]CS(=O)(=O)c1ccc(C)cc1
**Molecular Formula:** C9H9NO2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Nitrile | |
Provide the SMILES representation for the building block token <BB_9130>. | COC(=O)c1ccc(O)c(O)c1 | |
What is the building block token for the following molecule? | COC(=O)c1ccc(O)c(O)c1 | <BB_9130> |
What is the molecular formula for <BB_9130>? | The molecular formula for <BB_9130> (COC(=O)c1ccc(O)c(O)c1) is C8H8O4. | |
Describe the ring structures in building block <BB_9130>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9130>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9130>. | **Token:** <BB_9130>
**SMILES:** COC(=O)c1ccc(O)c(O)c1
**Molecular Formula:** C8H8O4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_9131>. | O=C1CNc2cccc(Br)c2N1 | |
What is the building block token for the following molecule? | O=C1CNc2cccc(Br)c2N1 | <BB_9131> |
What is the molecular formula for <BB_9131>? | The molecular formula for <BB_9131> (O=C1CNc2cccc(Br)c2N1) is C8H7BrN2O. | |
Describe the ring structures in building block <BB_9131>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9131>. | The molecule contains the following groups: Secondary Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9131>. | **Token:** <BB_9131>
**SMILES:** O=C1CNc2cccc(Br)c2N1
**Molecular Formula:** C8H7BrN2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9132>. | CN1CCC(CCCO)CC1 | |
What is the building block token for the following molecule? | CN1CCC(CCCO)CC1 | <BB_9132> |
What is the molecular formula for <BB_9132>? | The molecular formula for <BB_9132> (CN1CCC(CCCO)CC1) is C9H19NO. | |
Describe the ring structures in building block <BB_9132>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9132>. | The molecule contains the following groups: Tertiary Amine, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_9132>. | **Token:** <BB_9132>
**SMILES:** CN1CCC(CCCO)CC1
**Molecular Formula:** C9H19NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Alcohol | |
Provide the SMILES representation for the building block token <BB_9133>. | Cn1ncc(C#N)c1S(N)(=O)=O | |
What is the building block token for the following molecule? | Cn1ncc(C#N)c1S(N)(=O)=O | <BB_9133> |
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