instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_9916>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_9916>. | **Token:** <BB_9916>
**SMILES:** Oc1cccc(CCc2ccccc2)c1
**Molecular Formula:** C14H14O
**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_9917>. | ClCc1sc(Cl)cc1Cl | |
What is the building block token for the following molecule? | ClCc1sc(Cl)cc1Cl | <BB_9917> |
What is the molecular formula for <BB_9917>? | The molecular formula for <BB_9917> (ClCc1sc(Cl)cc1Cl) is C5H3Cl3S. | |
Describe the ring structures in building block <BB_9917>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9917>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9917>. | **Token:** <BB_9917>
**SMILES:** ClCc1sc(Cl)cc1Cl
**Molecular Formula:** C5H3Cl3S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9918>. | Cl.NC1(c2ccccc2F)CC(F)(F)C1 | |
What is the building block token for the following molecule? | Cl.NC1(c2ccccc2F)CC(F)(F)C1 | <BB_9918> |
What is the molecular formula for <BB_9918>? | The molecular formula for <BB_9918> (Cl.NC1(c2ccccc2F)CC(F)(F)C1) is C10H11ClF3N. | |
Describe the ring structures in building block <BB_9918>. | 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_9918>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9918>. | **Token:** <BB_9918>
**SMILES:** Cl.NC1(c2ccccc2F)CC(F)(F)C1
**Molecular Formula:** C10H11ClF3N
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9919>. | O=Cc1cnn(Cc2ccccc2)c1 | |
What is the building block token for the following molecule? | O=Cc1cnn(Cc2ccccc2)c1 | <BB_9919> |
What is the molecular formula for <BB_9919>? | The molecular formula for <BB_9919> (O=Cc1cnn(Cc2ccccc2)c1) is C11H10N2O. | |
Describe the ring structures in building block <BB_9919>. | 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_9919>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_9919>. | **Token:** <BB_9919>
**SMILES:** O=Cc1cnn(Cc2ccccc2)c1
**Molecular Formula:** C11H10N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_9920>. | CC(C)(N)CN1CCCC1 | |
What is the building block token for the following molecule? | CC(C)(N)CN1CCCC1 | <BB_9920> |
What is the molecular formula for <BB_9920>? | The molecular formula for <BB_9920> (CC(C)(N)CN1CCCC1) is C8H18N2. | |
Describe the ring structures in building block <BB_9920>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9920>. | The molecule contains the following groups: Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9920>. | **Token:** <BB_9920>
**SMILES:** CC(C)(N)CN1CCCC1
**Molecular Formula:** C8H18N2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_9921>. | COC(=O)C1CCCN1C(=O)OC(C)(C)C | |
What is the building block token for the following molecule? | COC(=O)C1CCCN1C(=O)OC(C)(C)C | <BB_9921> |
What is the molecular formula for <BB_9921>? | The molecular formula for <BB_9921> (COC(=O)C1CCCN1C(=O)OC(C)(C)C) is C11H19NO4. | |
Describe the ring structures in building block <BB_9921>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9921>. | The molecule contains the following groups: Amide, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9921>. | **Token:** <BB_9921>
**SMILES:** COC(=O)C1CCCN1C(=O)OC(C)(C)C
**Molecular Formula:** C11H19NO4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amide, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_9922>. | O=C(O)c1cc(Br)cc(O)n1 | |
What is the building block token for the following molecule? | O=C(O)c1cc(Br)cc(O)n1 | <BB_9922> |
What is the molecular formula for <BB_9922>? | The molecular formula for <BB_9922> (O=C(O)c1cc(Br)cc(O)n1) is C6H4BrNO3. | |
Describe the ring structures in building block <BB_9922>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9922>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9922>. | **Token:** <BB_9922>
**SMILES:** O=C(O)c1cc(Br)cc(O)n1
**Molecular Formula:** C6H4BrNO3
**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_9923>. | OC[C@@H]1C[C@@H]1CO | |
What is the building block token for the following molecule? | OC[C@@H]1C[C@@H]1CO | <BB_9923> |
What is the molecular formula for <BB_9923>? | The molecular formula for <BB_9923> (OC[C@@H]1C[C@@H]1CO) is C5H10O2. | |
Describe the ring structures in building block <BB_9923>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_9923>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_9923>. | **Token:** <BB_9923>
**SMILES:** OC[C@@H]1C[C@@H]1CO
**Molecular Formula:** C5H10O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_9924>. | Cl.N[C@H]1COc2ccc(Br)cc21 | |
What is the building block token for the following molecule? | Cl.N[C@H]1COc2ccc(Br)cc21 | <BB_9924> |
What is the molecular formula for <BB_9924>? | The molecular formula for <BB_9924> (Cl.N[C@H]1COc2ccc(Br)cc21) is C8H9BrClNO. | |
Describe the ring structures in building block <BB_9924>. | 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_9924>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9924>. | **Token:** <BB_9924>
**SMILES:** Cl.N[C@H]1COc2ccc(Br)cc21
**Molecular Formula:** C8H9BrClNO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9925>. | Cn1ncnc1Cn1cc(Br)cn1 | |
What is the building block token for the following molecule? | Cn1ncnc1Cn1cc(Br)cn1 | <BB_9925> |
What is the molecular formula for <BB_9925>? | The molecular formula for <BB_9925> (Cn1ncnc1Cn1cc(Br)cn1) is C7H8BrN5. | |
Describe the ring structures in building block <BB_9925>. | 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_9925>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9925>. | **Token:** <BB_9925>
**SMILES:** Cn1ncnc1Cn1cc(Br)cn1
**Molecular Formula:** C7H8BrN5
**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) | |
Provide the SMILES representation for the building block token <BB_9926>. | COC(=O)c1ccc(OCCCCN)cc1.Cl | |
What is the building block token for the following molecule? | COC(=O)c1ccc(OCCCCN)cc1.Cl | <BB_9926> |
What is the molecular formula for <BB_9926>? | The molecular formula for <BB_9926> (COC(=O)c1ccc(OCCCCN)cc1.Cl) is C12H18ClNO3. | |
Describe the ring structures in building block <BB_9926>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9926>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9926>. | **Token:** <BB_9926>
**SMILES:** COC(=O)c1ccc(OCCCCN)cc1.Cl
**Molecular Formula:** C12H18ClNO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9927>. | CCC(CC)(CCCN)C1OCCO1 | |
What is the building block token for the following molecule? | CCC(CC)(CCCN)C1OCCO1 | <BB_9927> |
What is the molecular formula for <BB_9927>? | The molecular formula for <BB_9927> (CCC(CC)(CCCN)C1OCCO1) is C11H23NO2. | |
Describe the ring structures in building block <BB_9927>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9927>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9927>. | **Token:** <BB_9927>
**SMILES:** CCC(CC)(CCCN)C1OCCO1
**Molecular Formula:** C11H23NO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_9928>. | NC1(c2ccc(Br)cn2)CCCC1 | |
What is the building block token for the following molecule? | NC1(c2ccc(Br)cn2)CCCC1 | <BB_9928> |
What is the molecular formula for <BB_9928>? | The molecular formula for <BB_9928> (NC1(c2ccc(Br)cn2)CCCC1) is C10H13BrN2. | |
Describe the ring structures in building block <BB_9928>. | 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_9928>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9928>. | **Token:** <BB_9928>
**SMILES:** NC1(c2ccc(Br)cn2)CCCC1
**Molecular Formula:** C10H13BrN2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9929>. | O=C(O)c1c(Cl)cc(Cl)cc1C(F)F | |
What is the building block token for the following molecule? | O=C(O)c1c(Cl)cc(Cl)cc1C(F)F | <BB_9929> |
What is the molecular formula for <BB_9929>? | The molecular formula for <BB_9929> (O=C(O)c1c(Cl)cc(Cl)cc1C(F)F) is C8H4Cl2F2O2. | |
Describe the ring structures in building block <BB_9929>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9929>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9929>. | **Token:** <BB_9929>
**SMILES:** O=C(O)c1c(Cl)cc(Cl)cc1C(F)F
**Molecular Formula:** C8H4Cl2F2O2
**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_9930>. | O=C(O)[C@H]1NC(=O)[C@@H]2CC[C@H]12 | |
What is the building block token for the following molecule? | O=C(O)[C@H]1NC(=O)[C@@H]2CC[C@H]12 | <BB_9930> |
What is the molecular formula for <BB_9930>? | The molecular formula for <BB_9930> (O=C(O)[C@H]1NC(=O)[C@@H]2CC[C@H]12) is C7H9NO3. | |
Describe the ring structures in building block <BB_9930>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_9930>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9930>. | **Token:** <BB_9930>
**SMILES:** O=C(O)[C@H]1NC(=O)[C@@H]2CC[C@H]12
**Molecular Formula:** C7H9NO3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_9931>. | CC(C)(C)OC(=O)c1cccc(N)c1Br | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)c1cccc(N)c1Br | <BB_9931> |
What is the molecular formula for <BB_9931>? | The molecular formula for <BB_9931> (CC(C)(C)OC(=O)c1cccc(N)c1Br) is C11H14BrNO2. | |
Describe the ring structures in building block <BB_9931>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9931>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9931>. | **Token:** <BB_9931>
**SMILES:** CC(C)(C)OC(=O)c1cccc(N)c1Br
**Molecular Formula:** C11H14BrNO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9932>. | NCc1cccc(F)c1Br | |
What is the building block token for the following molecule? | NCc1cccc(F)c1Br | <BB_9932> |
What is the molecular formula for <BB_9932>? | The molecular formula for <BB_9932> (NCc1cccc(F)c1Br) is C7H7BrFN. | |
Describe the ring structures in building block <BB_9932>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9932>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9932>. | **Token:** <BB_9932>
**SMILES:** NCc1cccc(F)c1Br
**Molecular Formula:** C7H7BrFN
**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_9933>. | COC(=O)/C=C/c1ccc(Cl)s1 | |
What is the building block token for the following molecule? | COC(=O)/C=C/c1ccc(Cl)s1 | <BB_9933> |
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