instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_2400>. | CC(C)(C)OC(=O)NC(CN)C1CCOC1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NC(CN)C1CCOC1 | <BB_2400> |
What is the molecular formula for <BB_2400>? | The molecular formula for <BB_2400> (CC(C)(C)OC(=O)NC(CN)C1CCOC1) is C11H22N2O3. | |
Describe the ring structures in building block <BB_2400>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2400>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2400>. | **Token:** <BB_2400>
**SMILES:** CC(C)(C)OC(=O)NC(CN)C1CCOC1
**Molecular Formula:** C11H22N2O3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2401>. | Cc1cc(=O)n2[nH]c(-c3ccccc3)cc2n1 | |
What is the building block token for the following molecule? | Cc1cc(=O)n2[nH]c(-c3ccccc3)cc2n1 | <BB_2401> |
What is the molecular formula for <BB_2401>? | The molecular formula for <BB_2401> (Cc1cc(=O)n2[nH]c(-c3ccccc3)cc2n1) is C13H11N3O. | |
Describe the ring structures in building block <BB_2401>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2401>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_2401>. | **Token:** <BB_2401>
**SMILES:** Cc1cc(=O)n2[nH]c(-c3ccccc3)cc2n1
**Molecular Formula:** C13H11N3O
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_2402>. | CC1C(N)CC1c1ccccc1.Cl | |
What is the building block token for the following molecule? | CC1C(N)CC1c1ccccc1.Cl | <BB_2402> |
What is the molecular formula for <BB_2402>? | The molecular formula for <BB_2402> (CC1C(N)CC1c1ccccc1.Cl) is C11H16ClN. | |
Describe the ring structures in building block <BB_2402>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2402>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2402>. | **Token:** <BB_2402>
**SMILES:** CC1C(N)CC1c1ccccc1.Cl
**Molecular Formula:** C11H16ClN
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2403>. | FC(F)CNc1ccccc1I | |
What is the building block token for the following molecule? | FC(F)CNc1ccccc1I | <BB_2403> |
What is the molecular formula for <BB_2403>? | The molecular formula for <BB_2403> (FC(F)CNc1ccccc1I) is C8H8F2IN. | |
Describe the ring structures in building block <BB_2403>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2403>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2403>. | **Token:** <BB_2403>
**SMILES:** FC(F)CNc1ccccc1I
**Molecular Formula:** C8H8F2IN
**Ring System:** The molecule contains 1 ring(s): 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_2404>. | COC(=O)c1cc(C(=O)O)cc2[nH]ccc12 | |
What is the building block token for the following molecule? | COC(=O)c1cc(C(=O)O)cc2[nH]ccc12 | <BB_2404> |
What is the molecular formula for <BB_2404>? | The molecular formula for <BB_2404> (COC(=O)c1cc(C(=O)O)cc2[nH]ccc12) is C11H9NO4. | |
Describe the ring structures in building block <BB_2404>. | 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_2404>. | The molecule contains the following groups: Carboxylic Acid, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2404>. | **Token:** <BB_2404>
**SMILES:** COC(=O)c1cc(C(=O)O)cc2[nH]ccc12
**Molecular Formula:** C11H9NO4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_2405>. | Cl.OC(c1ccccc1)C12CC(CN1)C2 | |
What is the building block token for the following molecule? | Cl.OC(c1ccccc1)C12CC(CN1)C2 | <BB_2405> |
What is the molecular formula for <BB_2405>? | The molecular formula for <BB_2405> (Cl.OC(c1ccccc1)C12CC(CN1)C2) is C12H16ClNO. | |
Describe the ring structures in building block <BB_2405>. | The molecule contains 4 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 5, an aromatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2405>. | The molecule contains the following groups: Secondary Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2405>. | **Token:** <BB_2405>
**SMILES:** Cl.OC(c1ccccc1)C12CC(CN1)C2
**Molecular Formula:** C12H16ClNO
**Ring System:** The molecule contains 4 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 5, an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2406>. | C=CN(C=O)CC(=C)c1cccc(OC(F)(F)F)c1 | |
What is the building block token for the following molecule? | C=CN(C=O)CC(=C)c1cccc(OC(F)(F)F)c1 | <BB_2406> |
What is the molecular formula for <BB_2406>? | The molecular formula for <BB_2406> (C=CN(C=O)CC(=C)c1cccc(OC(F)(F)F)c1) is C13H12F3NO2. | |
Describe the ring structures in building block <BB_2406>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2406>. | The molecule contains the following groups: Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2406>. | **Token:** <BB_2406>
**SMILES:** C=CN(C=O)CC(=C)c1cccc(OC(F)(F)F)c1
**Molecular Formula:** C13H12F3NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2407>. | CCCC1COCCN1.Cl | |
What is the building block token for the following molecule? | CCCC1COCCN1.Cl | <BB_2407> |
What is the molecular formula for <BB_2407>? | The molecular formula for <BB_2407> (CCCC1COCCN1.Cl) is C7H16ClNO. | |
Describe the ring structures in building block <BB_2407>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2407>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2407>. | **Token:** <BB_2407>
**SMILES:** CCCC1COCCN1.Cl
**Molecular Formula:** C7H16ClNO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2408>. | Cl.Cn1cnc2nc(Cl)cc(C(=O)O)c21 | |
What is the building block token for the following molecule? | Cl.Cn1cnc2nc(Cl)cc(C(=O)O)c21 | <BB_2408> |
What is the molecular formula for <BB_2408>? | The molecular formula for <BB_2408> (Cl.Cn1cnc2nc(Cl)cc(C(=O)O)c21) is C8H7Cl2N3O2. | |
Describe the ring structures in building block <BB_2408>. | 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_2408>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2408>. | **Token:** <BB_2408>
**SMILES:** Cl.Cn1cnc2nc(Cl)cc(C(=O)O)c21
**Molecular Formula:** C8H7Cl2N3O2
**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) | |
Provide the SMILES representation for the building block token <BB_2409>. | CC(F)(F)CCO | |
What is the building block token for the following molecule? | CC(F)(F)CCO | <BB_2409> |
What is the molecular formula for <BB_2409>? | The molecular formula for <BB_2409> (CC(F)(F)CCO) is C4H8F2O. | |
Describe the ring structures in building block <BB_2409>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2409>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2409>. | **Token:** <BB_2409>
**SMILES:** CC(F)(F)CCO
**Molecular Formula:** C4H8F2O
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2410>. | O=Cc1ccc(Br)cc1Oc1cc(Cl)cc(Cl)c1 | |
What is the building block token for the following molecule? | O=Cc1ccc(Br)cc1Oc1cc(Cl)cc(Cl)c1 | <BB_2410> |
What is the molecular formula for <BB_2410>? | The molecular formula for <BB_2410> (O=Cc1ccc(Br)cc1Oc1cc(Cl)cc(Cl)c1) is C13H7BrCl2O2. | |
Describe the ring structures in building block <BB_2410>. | 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_2410>. | The molecule contains the following groups: Aldehyde, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2410>. | **Token:** <BB_2410>
**SMILES:** O=Cc1ccc(Br)cc1Oc1cc(Cl)cc(Cl)c1
**Molecular Formula:** C13H7BrCl2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2411>. | Cc1ccc(S(=O)(=O)N(C)CC(=O)NN)cc1 | |
What is the building block token for the following molecule? | Cc1ccc(S(=O)(=O)N(C)CC(=O)NN)cc1 | <BB_2411> |
What is the molecular formula for <BB_2411>? | The molecular formula for <BB_2411> (Cc1ccc(S(=O)(=O)N(C)CC(=O)NN)cc1) is C10H15N3O3S. | |
Describe the ring structures in building block <BB_2411>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2411>. | The molecule contains the following groups: Amine, Tertiary Amine, Amide, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_2411>. | **Token:** <BB_2411>
**SMILES:** Cc1ccc(S(=O)(=O)N(C)CC(=O)NN)cc1
**Molecular Formula:** C10H15N3O3S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Amide, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_2412>. | NS(=O)(=O)Cc1ccc(C(F)(F)F)cc1 | |
What is the building block token for the following molecule? | NS(=O)(=O)Cc1ccc(C(F)(F)F)cc1 | <BB_2412> |
What is the molecular formula for <BB_2412>? | The molecular formula for <BB_2412> (NS(=O)(=O)Cc1ccc(C(F)(F)F)cc1) is C8H8F3NO2S. | |
Describe the ring structures in building block <BB_2412>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2412>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_2412>. | **Token:** <BB_2412>
**SMILES:** NS(=O)(=O)Cc1ccc(C(F)(F)F)cc1
**Molecular Formula:** C8H8F3NO2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_2413>. | CCC([O-])=CC#N.[Li+] | |
What is the building block token for the following molecule? | CCC([O-])=CC#N.[Li+] | <BB_2413> |
What is the molecular formula for <BB_2413>? | The molecular formula for <BB_2413> (CCC([O-])=CC#N.[Li+]) is C5H6LiNO. | |
Describe the ring structures in building block <BB_2413>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2413>. | The molecule contains the following groups: Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2413>. | **Token:** <BB_2413>
**SMILES:** CCC([O-])=CC#N.[Li+]
**Molecular Formula:** C5H6LiNO
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Nitrile | |
Provide the SMILES representation for the building block token <BB_2414>. | NCc1ccc(C(=O)N2CCCC2)cc1 | |
What is the building block token for the following molecule? | NCc1ccc(C(=O)N2CCCC2)cc1 | <BB_2414> |
What is the molecular formula for <BB_2414>? | The molecular formula for <BB_2414> (NCc1ccc(C(=O)N2CCCC2)cc1) is C12H16N2O. | |
Describe the ring structures in building block <BB_2414>. | 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_2414>. | The molecule contains the following groups: Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_2414>. | **Token:** <BB_2414>
**SMILES:** NCc1ccc(C(=O)N2CCCC2)cc1
**Molecular Formula:** C12H16N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine, Amide | |
Provide the SMILES representation for the building block token <BB_2415>. | Cl.NC(C(=O)Cc1ccccc1)c1ccccc1 | |
What is the building block token for the following molecule? | Cl.NC(C(=O)Cc1ccccc1)c1ccccc1 | <BB_2415> |
What is the molecular formula for <BB_2415>? | The molecular formula for <BB_2415> (Cl.NC(C(=O)Cc1ccccc1)c1ccccc1) is C15H16ClNO. | |
Describe the ring structures in building block <BB_2415>. | 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_2415>. | The molecule contains the following groups: Amine, Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2415>. | **Token:** <BB_2415>
**SMILES:** Cl.NC(C(=O)Cc1ccccc1)c1ccccc1
**Molecular Formula:** C15H16ClNO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2416>. | CC(C)(C)OC(=O)[C@@H]1CCCC[C@H]1CN=[N+]=[N-] | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)[C@@H]1CCCC[C@H]1CN=[N+]=[N-] | <BB_2416> |
What is the molecular formula for <BB_2416>? | The molecular formula for <BB_2416> (CC(C)(C)OC(=O)[C@@H]1CCCC[C@H]1CN=[N+]=[N-]) is C12H21N3O2. | |
Describe the ring structures in building block <BB_2416>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. |
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