instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_1683>? | The molecular formula for <BB_1683> (O=C(O)c1ccc(CN2CCCC2=O)cc1) is C12H13NO3. | |
Describe the ring structures in building block <BB_1683>. | 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_1683>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_1683>. | **Token:** <BB_1683>
**SMILES:** O=C(O)c1ccc(CN2CCCC2=O)cc1
**Molecular Formula:** C12H13NO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_1684>. | Cc1nc(Br)oc1C | |
What is the building block token for the following molecule? | Cc1nc(Br)oc1C | <BB_1684> |
What is the molecular formula for <BB_1684>? | The molecular formula for <BB_1684> (Cc1nc(Br)oc1C) is C5H6BrNO. | |
Describe the ring structures in building block <BB_1684>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1684>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1684>. | **Token:** <BB_1684>
**SMILES:** Cc1nc(Br)oc1C
**Molecular Formula:** C5H6BrNO
**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_1685>. | Fc1ccc(C(S)c2ccccc2)cc1 | |
What is the building block token for the following molecule? | Fc1ccc(C(S)c2ccccc2)cc1 | <BB_1685> |
What is the molecular formula for <BB_1685>? | The molecular formula for <BB_1685> (Fc1ccc(C(S)c2ccccc2)cc1) is C13H11FS. | |
Describe the ring structures in building block <BB_1685>. | 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_1685>. | The molecule contains the following groups: Thiol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1685>. | **Token:** <BB_1685>
**SMILES:** Fc1ccc(C(S)c2ccccc2)cc1
**Molecular Formula:** C13H11FS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Thiol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1686>. | COC(=O)c1ccccc1C1CCNC1.Cl | |
What is the building block token for the following molecule? | COC(=O)c1ccccc1C1CCNC1.Cl | <BB_1686> |
What is the molecular formula for <BB_1686>? | The molecular formula for <BB_1686> (COC(=O)c1ccccc1C1CCNC1.Cl) is C12H16ClNO2. | |
Describe the ring structures in building block <BB_1686>. | 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_1686>. | The molecule contains the following groups: Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1686>. | **Token:** <BB_1686>
**SMILES:** COC(=O)c1ccccc1C1CCNC1.Cl
**Molecular Formula:** C12H16ClNO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1687>. | COC(=O)c1cc(N)c(C)cc1F.Cl | |
What is the building block token for the following molecule? | COC(=O)c1cc(N)c(C)cc1F.Cl | <BB_1687> |
What is the molecular formula for <BB_1687>? | The molecular formula for <BB_1687> (COC(=O)c1cc(N)c(C)cc1F.Cl) is C9H11ClFNO2. | |
Describe the ring structures in building block <BB_1687>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1687>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1687>. | **Token:** <BB_1687>
**SMILES:** COC(=O)c1cc(N)c(C)cc1F.Cl
**Molecular Formula:** C9H11ClFNO2
**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_1688>. | COc1ccc(C)cc1/C=C/C(=O)O | |
What is the building block token for the following molecule? | COc1ccc(C)cc1/C=C/C(=O)O | <BB_1688> |
What is the molecular formula for <BB_1688>? | The molecular formula for <BB_1688> (COc1ccc(C)cc1/C=C/C(=O)O) is C11H12O3. | |
Describe the ring structures in building block <BB_1688>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1688>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1688>. | **Token:** <BB_1688>
**SMILES:** COc1ccc(C)cc1/C=C/C(=O)O
**Molecular Formula:** C11H12O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_1689>. | Cn1nccc1[C@@H]1C[C@H]1C=O | |
What is the building block token for the following molecule? | Cn1nccc1[C@@H]1C[C@H]1C=O | <BB_1689> |
What is the molecular formula for <BB_1689>? | The molecular formula for <BB_1689> (Cn1nccc1[C@@H]1C[C@H]1C=O) is C8H10N2O. | |
Describe the ring structures in building block <BB_1689>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_1689>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_1689>. | **Token:** <BB_1689>
**SMILES:** Cn1nccc1[C@@H]1C[C@H]1C=O
**Molecular Formula:** C8H10N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_1690>. | NC1(c2nn[nH]n2)CCCC1 | |
What is the building block token for the following molecule? | NC1(c2nn[nH]n2)CCCC1 | <BB_1690> |
What is the molecular formula for <BB_1690>? | The molecular formula for <BB_1690> (NC1(c2nn[nH]n2)CCCC1) is C6H11N5. | |
Describe the ring structures in building block <BB_1690>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1690>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1690>. | **Token:** <BB_1690>
**SMILES:** NC1(c2nn[nH]n2)CCCC1
**Molecular Formula:** C6H11N5
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_1691>. | CC1CCCn2cc(C(=O)O)nc21.Cl | |
What is the building block token for the following molecule? | CC1CCCn2cc(C(=O)O)nc21.Cl | <BB_1691> |
What is the molecular formula for <BB_1691>? | The molecular formula for <BB_1691> (CC1CCCn2cc(C(=O)O)nc21.Cl) is C9H13ClN2O2. | |
Describe the ring structures in building block <BB_1691>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1691>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1691>. | **Token:** <BB_1691>
**SMILES:** CC1CCCn2cc(C(=O)O)nc21.Cl
**Molecular Formula:** C9H13ClN2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, 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_1692>. | Cc1ccc(O[Si](C)(C)C(C)(C)C)c(N)c1 | |
What is the building block token for the following molecule? | Cc1ccc(O[Si](C)(C)C(C)(C)C)c(N)c1 | <BB_1692> |
What is the molecular formula for <BB_1692>? | The molecular formula for <BB_1692> (Cc1ccc(O[Si](C)(C)C(C)(C)C)c(N)c1) is C13H23NOSi. | |
Describe the ring structures in building block <BB_1692>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1692>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1692>. | **Token:** <BB_1692>
**SMILES:** Cc1ccc(O[Si](C)(C)C(C)(C)C)c(N)c1
**Molecular Formula:** C13H23NOSi
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_1693>. | C1CNC2CCCC2C1 | |
What is the building block token for the following molecule? | C1CNC2CCCC2C1 | <BB_1693> |
What is the molecular formula for <BB_1693>? | The molecular formula for <BB_1693> (C1CNC2CCCC2C1) is C8H15N. | |
Describe the ring structures in building block <BB_1693>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1693>. | The molecule contains the following groups: Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1693>. | **Token:** <BB_1693>
**SMILES:** C1CNC2CCCC2C1
**Molecular Formula:** C8H15N
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine | |
Provide the SMILES representation for the building block token <BB_1694>. | CC(C)(C)OC(=O)NC1CC[C@H](O)[C@H](O)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NC1CC[C@H](O)[C@H](O)C1 | <BB_1694> |
What is the molecular formula for <BB_1694>? | The molecular formula for <BB_1694> (CC(C)(C)OC(=O)NC1CC[C@H](O)[C@H](O)C1) is C11H21NO4. | |
Describe the ring structures in building block <BB_1694>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1694>. | The molecule contains the following groups: Amide, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1694>. | **Token:** <BB_1694>
**SMILES:** CC(C)(C)OC(=O)NC1CC[C@H](O)[C@H](O)C1
**Molecular Formula:** C11H21NO4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amide, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_1695>. | Fc1cccc(-c2nnc(CCl)o2)c1 | |
What is the building block token for the following molecule? | Fc1cccc(-c2nnc(CCl)o2)c1 | <BB_1695> |
What is the molecular formula for <BB_1695>? | The molecular formula for <BB_1695> (Fc1cccc(-c2nnc(CCl)o2)c1) is C9H6ClFN2O. | |
Describe the ring structures in building block <BB_1695>. | 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_1695>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1695>. | **Token:** <BB_1695>
**SMILES:** Fc1cccc(-c2nnc(CCl)o2)c1
**Molecular Formula:** C9H6ClFN2O
**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_1696>. | Cl.O=S1(=O)CCNC(c2ccccc2)CC1 | |
What is the building block token for the following molecule? | Cl.O=S1(=O)CCNC(c2ccccc2)CC1 | <BB_1696> |
What is the molecular formula for <BB_1696>? | The molecular formula for <BB_1696> (Cl.O=S1(=O)CCNC(c2ccccc2)CC1) is C11H16ClNO2S. | |
Describe the ring structures in building block <BB_1696>. | The molecule contains 2 ring(s): an aliphatic ring of size 7, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1696>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1696>. | **Token:** <BB_1696>
**SMILES:** Cl.O=S1(=O)CCNC(c2ccccc2)CC1
**Molecular Formula:** C11H16ClNO2S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 7, 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_1697>. | CN(C)C1CNC(C)(C)C1 | |
What is the building block token for the following molecule? | CN(C)C1CNC(C)(C)C1 | <BB_1697> |
What is the molecular formula for <BB_1697>? | The molecular formula for <BB_1697> (CN(C)C1CNC(C)(C)C1) is C8H18N2. | |
Describe the ring structures in building block <BB_1697>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1697>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1697>. | **Token:** <BB_1697>
**SMILES:** CN(C)C1CNC(C)(C)C1
**Molecular Formula:** C8H18N2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_1698>. | Cc1ccccc1COC1CCNCC1 | |
What is the building block token for the following molecule? | Cc1ccccc1COC1CCNCC1 | <BB_1698> |
What is the molecular formula for <BB_1698>? | The molecular formula for <BB_1698> (Cc1ccccc1COC1CCNCC1) is C13H19NO. | |
Describe the ring structures in building block <BB_1698>. | 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_1698>. | The molecule contains the following groups: Secondary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1698>. | **Token:** <BB_1698>
**SMILES:** Cc1ccccc1COC1CCNCC1
**Molecular Formula:** C13H19NO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_1699>. | O=C(O)Cc1cc2ncc(Br)cn2n1 | |
What is the building block token for the following molecule? | O=C(O)Cc1cc2ncc(Br)cn2n1 | <BB_1699> |
What is the molecular formula for <BB_1699>? | The molecular formula for <BB_1699> (O=C(O)Cc1cc2ncc(Br)cn2n1) is C8H6BrN3O2. | |
Describe the ring structures in building block <BB_1699>. | 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_1699>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1699>. | **Token:** <BB_1699>
**SMILES:** O=C(O)Cc1cc2ncc(Br)cn2n1
**Molecular Formula:** C8H6BrN3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) |
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