instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
List the primary functional groups present in <BB_3216>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3216>. | **Token:** <BB_3216>
**SMILES:** C[N+](C)(C)CC=O.O.[Cl-]
**Molecular Formula:** C5H14ClNO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Aldehyde, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3217>. | Nc1nc(-c2ccc3c(c2)OCO3)cs1 | |
What is the building block token for the following molecule? | Nc1nc(-c2ccc3c(c2)OCO3)cs1 | <BB_3217> |
What is the molecular formula for <BB_3217>? | The molecular formula for <BB_3217> (Nc1nc(-c2ccc3c(c2)OCO3)cs1) is C10H8N2O2S. | |
Describe the ring structures in building block <BB_3217>. | 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_3217>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_3217>. | **Token:** <BB_3217>
**SMILES:** Nc1nc(-c2ccc3c(c2)OCO3)cs1
**Molecular Formula:** C10H8N2O2S
**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:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_3218>. | COC(=O)c1ccc(N)c(OC)c1 | |
What is the building block token for the following molecule? | COC(=O)c1ccc(N)c(OC)c1 | <BB_3218> |
What is the molecular formula for <BB_3218>? | The molecular formula for <BB_3218> (COC(=O)c1ccc(N)c(OC)c1) is C9H11NO3. | |
Describe the ring structures in building block <BB_3218>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3218>. | The molecule contains the following groups: Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_3218>. | **Token:** <BB_3218>
**SMILES:** COC(=O)c1ccc(N)c(OC)c1
**Molecular Formula:** C9H11NO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_3219>. | Cc1cccc2[nH]c(=O)oc(=O)c12 | |
What is the building block token for the following molecule? | Cc1cccc2[nH]c(=O)oc(=O)c12 | <BB_3219> |
What is the molecular formula for <BB_3219>? | The molecular formula for <BB_3219> (Cc1cccc2[nH]c(=O)oc(=O)c12) is C9H7NO3. | |
Describe the ring structures in building block <BB_3219>. | 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_3219>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_3219>. | **Token:** <BB_3219>
**SMILES:** Cc1cccc2[nH]c(=O)oc(=O)c12
**Molecular Formula:** C9H7NO3
**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_3220>. | NC1CCC(O)(C2CCCCC2)CC1 | |
What is the building block token for the following molecule? | NC1CCC(O)(C2CCCCC2)CC1 | <BB_3220> |
What is the molecular formula for <BB_3220>? | The molecular formula for <BB_3220> (NC1CCC(O)(C2CCCCC2)CC1) is C12H23NO. | |
Describe the ring structures in building block <BB_3220>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_3220>. | The molecule contains the following groups: Amine, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_3220>. | **Token:** <BB_3220>
**SMILES:** NC1CCC(O)(C2CCCCC2)CC1
**Molecular Formula:** C12H23NO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amine, Alcohol | |
Provide the SMILES representation for the building block token <BB_3221>. | Cc1cc(Br)cc2nc(Cl)oc12 | |
What is the building block token for the following molecule? | Cc1cc(Br)cc2nc(Cl)oc12 | <BB_3221> |
What is the molecular formula for <BB_3221>? | The molecular formula for <BB_3221> (Cc1cc(Br)cc2nc(Cl)oc12) is C8H5BrClNO. | |
Describe the ring structures in building block <BB_3221>. | 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_3221>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3221>. | **Token:** <BB_3221>
**SMILES:** Cc1cc(Br)cc2nc(Cl)oc12
**Molecular Formula:** C8H5BrClNO
**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_3222>. | Oc1nc(/C=C/c2ccccc2)cc(C(F)(F)F)n1 | |
What is the building block token for the following molecule? | Oc1nc(/C=C/c2ccccc2)cc(C(F)(F)F)n1 | <BB_3222> |
What is the molecular formula for <BB_3222>? | The molecular formula for <BB_3222> (Oc1nc(/C=C/c2ccccc2)cc(C(F)(F)F)n1) is C13H9F3N2O. | |
Describe the ring structures in building block <BB_3222>. | 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_3222>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3222>. | **Token:** <BB_3222>
**SMILES:** Oc1nc(/C=C/c2ccccc2)cc(C(F)(F)F)n1
**Molecular Formula:** C13H9F3N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3223>. | OCc1cnon1 | |
What is the building block token for the following molecule? | OCc1cnon1 | <BB_3223> |
What is the molecular formula for <BB_3223>? | The molecular formula for <BB_3223> (OCc1cnon1) is C3H4N2O2. | |
Describe the ring structures in building block <BB_3223>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_3223>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_3223>. | **Token:** <BB_3223>
**SMILES:** OCc1cnon1
**Molecular Formula:** C3H4N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_3224>. | CC(C)N(C)c1ccccc1[N+](=O)[O-] | |
What is the building block token for the following molecule? | CC(C)N(C)c1ccccc1[N+](=O)[O-] | <BB_3224> |
What is the molecular formula for <BB_3224>? | The molecular formula for <BB_3224> (CC(C)N(C)c1ccccc1[N+](=O)[O-]) is C10H14N2O2. | |
Describe the ring structures in building block <BB_3224>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3224>. | The molecule contains the following groups: Tertiary Amine, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_3224>. | **Token:** <BB_3224>
**SMILES:** CC(C)N(C)c1ccccc1[N+](=O)[O-]
**Molecular Formula:** C10H14N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Nitro | |
Provide the SMILES representation for the building block token <BB_3225>. | CC(C)(C)OC(=O)NC(CC(Cl)Cl)C(=O)O | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NC(CC(Cl)Cl)C(=O)O | <BB_3225> |
What is the molecular formula for <BB_3225>? | The molecular formula for <BB_3225> (CC(C)(C)OC(=O)NC(CC(Cl)Cl)C(=O)O) is C9H15Cl2NO4. | |
Describe the ring structures in building block <BB_3225>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_3225>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3225>. | **Token:** <BB_3225>
**SMILES:** CC(C)(C)OC(=O)NC(CC(Cl)Cl)C(=O)O
**Molecular Formula:** C9H15Cl2NO4
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3226>. | Cl.Cl.Fc1cc(Br)ccc1CNCc1ccccn1 | |
What is the building block token for the following molecule? | Cl.Cl.Fc1cc(Br)ccc1CNCc1ccccn1 | <BB_3226> |
What is the molecular formula for <BB_3226>? | The molecular formula for <BB_3226> (Cl.Cl.Fc1cc(Br)ccc1CNCc1ccccn1) is C13H14BrCl2FN2. | |
Describe the ring structures in building block <BB_3226>. | 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_3226>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3226>. | **Token:** <BB_3226>
**SMILES:** Cl.Cl.Fc1cc(Br)ccc1CNCc1ccccn1
**Molecular Formula:** C13H14BrCl2FN2
**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_3227>. | COC(=O)c1nccc2c1NCCC2 | |
What is the building block token for the following molecule? | COC(=O)c1nccc2c1NCCC2 | <BB_3227> |
What is the molecular formula for <BB_3227>? | The molecular formula for <BB_3227> (COC(=O)c1nccc2c1NCCC2) is C10H12N2O2. | |
Describe the ring structures in building block <BB_3227>. | 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_3227>. | The molecule contains the following groups: Secondary Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_3227>. | **Token:** <BB_3227>
**SMILES:** COC(=O)c1nccc2c1NCCC2
**Molecular Formula:** C10H12N2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_3228>. | Cc1ccc(S(=O)(=O)Cl)nc1 | |
What is the building block token for the following molecule? | Cc1ccc(S(=O)(=O)Cl)nc1 | <BB_3228> |
What is the molecular formula for <BB_3228>? | The molecular formula for <BB_3228> (Cc1ccc(S(=O)(=O)Cl)nc1) is C6H6ClNO2S. | |
Describe the ring structures in building block <BB_3228>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3228>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3228>. | **Token:** <BB_3228>
**SMILES:** Cc1ccc(S(=O)(=O)Cl)nc1
**Molecular Formula:** C6H6ClNO2S
**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_3229>. | NCCCCCc1ccco1 | |
What is the building block token for the following molecule? | NCCCCCc1ccco1 | <BB_3229> |
What is the molecular formula for <BB_3229>? | The molecular formula for <BB_3229> (NCCCCCc1ccco1) is C9H15NO. | |
Describe the ring structures in building block <BB_3229>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_3229>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_3229>. | **Token:** <BB_3229>
**SMILES:** NCCCCCc1ccco1
**Molecular Formula:** C9H15NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_3230>. | COc1ccc(NCc2ccccc2)cc1 | |
What is the building block token for the following molecule? | COc1ccc(NCc2ccccc2)cc1 | <BB_3230> |
What is the molecular formula for <BB_3230>? | The molecular formula for <BB_3230> (COc1ccc(NCc2ccccc2)cc1) is C14H15NO. | |
Describe the ring structures in building block <BB_3230>. | 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_3230>. | The molecule contains the following groups: Secondary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_3230>. | **Token:** <BB_3230>
**SMILES:** COc1ccc(NCc2ccccc2)cc1
**Molecular Formula:** C14H15NO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_3231>. | O=C(CCl)c1cc(Cl)ccc1O | |
What is the building block token for the following molecule? | O=C(CCl)c1cc(Cl)ccc1O | <BB_3231> |
What is the molecular formula for <BB_3231>? | The molecular formula for <BB_3231> (O=C(CCl)c1cc(Cl)ccc1O) is C8H6Cl2O2. | |
Describe the ring structures in building block <BB_3231>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3231>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3231>. | **Token:** <BB_3231>
**SMILES:** O=C(CCl)c1cc(Cl)ccc1O
**Molecular Formula:** C8H6Cl2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3232>. | O=S(=O)(C1CCCNC1)N1CCOCC1 | |
What is the building block token for the following molecule? | O=S(=O)(C1CCCNC1)N1CCOCC1 | <BB_3232> |
What is the molecular formula for <BB_3232>? | The molecular formula for <BB_3232> (O=S(=O)(C1CCCNC1)N1CCOCC1) is C9H18N2O3S. | |
Describe the ring structures in building block <BB_3232>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_3232>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Ether, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_3232>. | **Token:** <BB_3232>
**SMILES:** O=S(=O)(C1CCCNC1)N1CCOCC1
**Molecular Formula:** C9H18N2O3S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Ether, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_3233>. | C#CCCc1c[nH]c2ccccc12 | |
What is the building block token for the following molecule? | C#CCCc1c[nH]c2ccccc12 | <BB_3233> |
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