instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_2883>? | The molecular formula for <BB_2883> (CCC(C)(C)C(=O)C(=O)O) is C7H12O3. | |
Describe the ring structures in building block <BB_2883>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2883>. | The molecule contains the following groups: Carboxylic Acid, Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_2883>. | **Token:** <BB_2883>
**SMILES:** CCC(C)(C)C(=O)C(=O)O
**Molecular Formula:** C7H12O3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Ketone | |
Provide the SMILES representation for the building block token <BB_2884>. | CS(=O)(=O)c1ccc(F)c(C(=O)O)c1 | |
What is the building block token for the following molecule? | CS(=O)(=O)c1ccc(F)c(C(=O)O)c1 | <BB_2884> |
What is the molecular formula for <BB_2884>? | The molecular formula for <BB_2884> (CS(=O)(=O)c1ccc(F)c(C(=O)O)c1) is C8H7FO4S. | |
Describe the ring structures in building block <BB_2884>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2884>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2884>. | **Token:** <BB_2884>
**SMILES:** CS(=O)(=O)c1ccc(F)c(C(=O)O)c1
**Molecular Formula:** C8H7FO4S
**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_2885>. | CC1Cc2nc(Cl)ncc2C(C)O1 | |
What is the building block token for the following molecule? | CC1Cc2nc(Cl)ncc2C(C)O1 | <BB_2885> |
What is the molecular formula for <BB_2885>? | The molecular formula for <BB_2885> (CC1Cc2nc(Cl)ncc2C(C)O1) is C9H11ClN2O. | |
Describe the ring structures in building block <BB_2885>. | 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_2885>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2885>. | **Token:** <BB_2885>
**SMILES:** CC1Cc2nc(Cl)ncc2C(C)O1
**Molecular Formula:** C9H11ClN2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2886>. | CC(C)(C)OC(=O)NC(CC(=O)O)C1CC(F)(F)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NC(CC(=O)O)C1CC(F)(F)C1 | <BB_2886> |
What is the molecular formula for <BB_2886>? | The molecular formula for <BB_2886> (CC(C)(C)OC(=O)NC(CC(=O)O)C1CC(F)(F)C1) is C12H19F2NO4. | |
Describe the ring structures in building block <BB_2886>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_2886>. | 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_2886>. | **Token:** <BB_2886>
**SMILES:** CC(C)(C)OC(=O)NC(CC(=O)O)C1CC(F)(F)C1
**Molecular Formula:** C12H19F2NO4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid, Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2887>. | BrCC1CN=C(c2ccccc2)O1 | |
What is the building block token for the following molecule? | BrCC1CN=C(c2ccccc2)O1 | <BB_2887> |
What is the molecular formula for <BB_2887>? | The molecular formula for <BB_2887> (BrCC1CN=C(c2ccccc2)O1) is C10H10BrNO. | |
Describe the ring structures in building block <BB_2887>. | 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_2887>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2887>. | **Token:** <BB_2887>
**SMILES:** BrCC1CN=C(c2ccccc2)O1
**Molecular Formula:** C10H10BrNO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2888>. | COc1cc(N(C)C)ccc1C(=O)O | |
What is the building block token for the following molecule? | COc1cc(N(C)C)ccc1C(=O)O | <BB_2888> |
What is the molecular formula for <BB_2888>? | The molecular formula for <BB_2888> (COc1cc(N(C)C)ccc1C(=O)O) is C10H13NO3. | |
Describe the ring structures in building block <BB_2888>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2888>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2888>. | **Token:** <BB_2888>
**SMILES:** COc1cc(N(C)C)ccc1C(=O)O
**Molecular Formula:** C10H13NO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_2889>. | CCN(CC)c1ccc(NCc2cccs2)cc1 | |
What is the building block token for the following molecule? | CCN(CC)c1ccc(NCc2cccs2)cc1 | <BB_2889> |
What is the molecular formula for <BB_2889>? | The molecular formula for <BB_2889> (CCN(CC)c1ccc(NCc2cccs2)cc1) is C15H20N2S. | |
Describe the ring structures in building block <BB_2889>. | 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_2889>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2889>. | **Token:** <BB_2889>
**SMILES:** CCN(CC)c1ccc(NCc2cccs2)cc1
**Molecular Formula:** C15H20N2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Secondary Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_2890>. | O=C(O)CCCS(=O)(=O)c1ccc(Cl)cc1 | |
What is the building block token for the following molecule? | O=C(O)CCCS(=O)(=O)c1ccc(Cl)cc1 | <BB_2890> |
What is the molecular formula for <BB_2890>? | The molecular formula for <BB_2890> (O=C(O)CCCS(=O)(=O)c1ccc(Cl)cc1) is C10H11ClO4S. | |
Describe the ring structures in building block <BB_2890>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2890>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2890>. | **Token:** <BB_2890>
**SMILES:** O=C(O)CCCS(=O)(=O)c1ccc(Cl)cc1
**Molecular Formula:** C10H11ClO4S
**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_2891>. | O=C([O-])c1nnco1.[Li+] | |
What is the building block token for the following molecule? | O=C([O-])c1nnco1.[Li+] | <BB_2891> |
What is the molecular formula for <BB_2891>? | The molecular formula for <BB_2891> (O=C([O-])c1nnco1.[Li+]) is C3HLiN2O3. | |
Describe the ring structures in building block <BB_2891>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2891>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_2891>. | **Token:** <BB_2891>
**SMILES:** O=C([O-])c1nnco1.[Li+]
**Molecular Formula:** C3HLiN2O3
**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_2892>. | Cc1sc2nc(CN(C)C)nc(Cl)c2c1C | |
What is the building block token for the following molecule? | Cc1sc2nc(CN(C)C)nc(Cl)c2c1C | <BB_2892> |
What is the molecular formula for <BB_2892>? | The molecular formula for <BB_2892> (Cc1sc2nc(CN(C)C)nc(Cl)c2c1C) is C11H14ClN3S. | |
Describe the ring structures in building block <BB_2892>. | 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_2892>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2892>. | **Token:** <BB_2892>
**SMILES:** Cc1sc2nc(CN(C)C)nc(Cl)c2c1C
**Molecular Formula:** C11H14ClN3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2893>. | CC(C)NC(=O)N1CCC(C(=O)O)CC1 | |
What is the building block token for the following molecule? | CC(C)NC(=O)N1CCC(C(=O)O)CC1 | <BB_2893> |
What is the molecular formula for <BB_2893>? | The molecular formula for <BB_2893> (CC(C)NC(=O)N1CCC(C(=O)O)CC1) is C10H18N2O3. | |
Describe the ring structures in building block <BB_2893>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2893>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_2893>. | **Token:** <BB_2893>
**SMILES:** CC(C)NC(=O)N1CCC(C(=O)O)CC1
**Molecular Formula:** C10H18N2O3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_2894>. | Cc1ccc([C@@H](C)N)cc1 | |
What is the building block token for the following molecule? | Cc1ccc([C@@H](C)N)cc1 | <BB_2894> |
What is the molecular formula for <BB_2894>? | The molecular formula for <BB_2894> (Cc1ccc([C@@H](C)N)cc1) is C9H13N. | |
Describe the ring structures in building block <BB_2894>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2894>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2894>. | **Token:** <BB_2894>
**SMILES:** Cc1ccc([C@@H](C)N)cc1
**Molecular Formula:** C9H13N
**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_2895>. | Cc1c[nH]nc1C=O.Cl | |
What is the building block token for the following molecule? | Cc1c[nH]nc1C=O.Cl | <BB_2895> |
What is the molecular formula for <BB_2895>? | The molecular formula for <BB_2895> (Cc1c[nH]nc1C=O.Cl) is C5H7ClN2O. | |
Describe the ring structures in building block <BB_2895>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2895>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2895>. | **Token:** <BB_2895>
**SMILES:** Cc1c[nH]nc1C=O.Cl
**Molecular Formula:** C5H7ClN2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Aldehyde, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2896>. | Cl.FC1(F)CCNC1 | |
What is the building block token for the following molecule? | Cl.FC1(F)CCNC1 | <BB_2896> |
What is the molecular formula for <BB_2896>? | The molecular formula for <BB_2896> (Cl.FC1(F)CCNC1) is C4H8ClF2N. | |
Describe the ring structures in building block <BB_2896>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2896>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2896>. | **Token:** <BB_2896>
**SMILES:** Cl.FC1(F)CCNC1
**Molecular Formula:** C4H8ClF2N
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2897>. | Cc1ccc(C)c(-c2cc(C(=O)O)no2)c1 | |
What is the building block token for the following molecule? | Cc1ccc(C)c(-c2cc(C(=O)O)no2)c1 | <BB_2897> |
What is the molecular formula for <BB_2897>? | The molecular formula for <BB_2897> (Cc1ccc(C)c(-c2cc(C(=O)O)no2)c1) is C12H11NO3. | |
Describe the ring structures in building block <BB_2897>. | 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_2897>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_2897>. | **Token:** <BB_2897>
**SMILES:** Cc1ccc(C)c(-c2cc(C(=O)O)no2)c1
**Molecular Formula:** C12H11NO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_2898>. | O=C(O)CN(CCO)CCO | |
What is the building block token for the following molecule? | O=C(O)CN(CCO)CCO | <BB_2898> |
What is the molecular formula for <BB_2898>? | The molecular formula for <BB_2898> (O=C(O)CN(CCO)CCO) is C6H13NO4. | |
Describe the ring structures in building block <BB_2898>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2898>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_2898>. | **Token:** <BB_2898>
**SMILES:** O=C(O)CN(CCO)CCO
**Molecular Formula:** C6H13NO4
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Alcohol | |
Provide the SMILES representation for the building block token <BB_2899>. | COC(=O)[C@@H]1C[C@]1(C(=O)O)c1ccc(N)cc1 | |
What is the building block token for the following molecule? | COC(=O)[C@@H]1C[C@]1(C(=O)O)c1ccc(N)cc1 | <BB_2899> |
What is the molecular formula for <BB_2899>? | The molecular formula for <BB_2899> (COC(=O)[C@@H]1C[C@]1(C(=O)O)c1ccc(N)cc1) is C12H13NO4. | |
Describe the ring structures in building block <BB_2899>. | The molecule contains 2 ring(s): an aliphatic ring of size 3, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2899>. | The molecule contains the following groups: Carboxylic Acid, Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2899>. | **Token:** <BB_2899>
**SMILES:** COC(=O)[C@@H]1C[C@]1(C(=O)O)c1ccc(N)cc1
**Molecular Formula:** C12H13NO4
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 3, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine, Ester, Ether |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.