instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_2583>? | The molecular formula for <BB_2583> (N#CCOc1ccc(F)c(Cl)c1) is C8H5ClFNO. | |
Describe the ring structures in building block <BB_2583>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2583>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2583>. | **Token:** <BB_2583>
**SMILES:** N#CCOc1ccc(F)c(Cl)c1
**Molecular Formula:** C8H5ClFNO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_2584>. | COc1cccc(C(=O)CC#N)c1 | |
What is the building block token for the following molecule? | COc1cccc(C(=O)CC#N)c1 | <BB_2584> |
What is the molecular formula for <BB_2584>? | The molecular formula for <BB_2584> (COc1cccc(C(=O)CC#N)c1) is C10H9NO2. | |
Describe the ring structures in building block <BB_2584>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2584>. | The molecule contains the following groups: Ketone, Ether, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2584>. | **Token:** <BB_2584>
**SMILES:** COc1cccc(C(=O)CC#N)c1
**Molecular Formula:** C10H9NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ketone, Ether, Nitrile | |
Provide the SMILES representation for the building block token <BB_2585>. | NC(=O)c1cnn(-c2ccccn2)c1N | |
What is the building block token for the following molecule? | NC(=O)c1cnn(-c2ccccn2)c1N | <BB_2585> |
What is the molecular formula for <BB_2585>? | The molecular formula for <BB_2585> (NC(=O)c1cnn(-c2ccccn2)c1N) is C9H9N5O. | |
Describe the ring structures in building block <BB_2585>. | 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_2585>. | The molecule contains the following groups: Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_2585>. | **Token:** <BB_2585>
**SMILES:** NC(=O)c1cnn(-c2ccccn2)c1N
**Molecular Formula:** C9H9N5O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Amide | |
Provide the SMILES representation for the building block token <BB_2586>. | c1ccc2c(CNC3CCCC3)cccc2c1 | |
What is the building block token for the following molecule? | c1ccc2c(CNC3CCCC3)cccc2c1 | <BB_2586> |
What is the molecular formula for <BB_2586>? | The molecular formula for <BB_2586> (c1ccc2c(CNC3CCCC3)cccc2c1) is C16H19N. | |
Describe the ring structures in building block <BB_2586>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2586>. | The molecule contains the following groups: Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2586>. | **Token:** <BB_2586>
**SMILES:** c1ccc2c(CNC3CCCC3)cccc2c1
**Molecular Formula:** C16H19N
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine | |
Provide the SMILES representation for the building block token <BB_2587>. | O=C(O)C12CCOCC1CNC2 | |
What is the building block token for the following molecule? | O=C(O)C12CCOCC1CNC2 | <BB_2587> |
What is the molecular formula for <BB_2587>? | The molecular formula for <BB_2587> (O=C(O)C12CCOCC1CNC2) is C8H13NO3. | |
Describe the ring structures in building block <BB_2587>. | 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_2587>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2587>. | **Token:** <BB_2587>
**SMILES:** O=C(O)C12CCOCC1CNC2
**Molecular Formula:** C8H13NO3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_2588>. | CCOC(=O)[C@H]1NC[C@H]2C[C@H]21.Cl | |
What is the building block token for the following molecule? | CCOC(=O)[C@H]1NC[C@H]2C[C@H]21.Cl | <BB_2588> |
What is the molecular formula for <BB_2588>? | The molecular formula for <BB_2588> (CCOC(=O)[C@H]1NC[C@H]2C[C@H]21.Cl) is C8H14ClNO2. | |
Describe the ring structures in building block <BB_2588>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_2588>. | 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_2588>. | **Token:** <BB_2588>
**SMILES:** CCOC(=O)[C@H]1NC[C@H]2C[C@H]21.Cl
**Molecular Formula:** C8H14ClNO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2589>. | O=C1CCOC12CCCC2 | |
What is the building block token for the following molecule? | O=C1CCOC12CCCC2 | <BB_2589> |
What is the molecular formula for <BB_2589>? | The molecular formula for <BB_2589> (O=C1CCOC12CCCC2) is C8H12O2. | |
Describe the ring structures in building block <BB_2589>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2589>. | The molecule contains the following groups: Ketone, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2589>. | **Token:** <BB_2589>
**SMILES:** O=C1CCOC12CCCC2
**Molecular Formula:** C8H12O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Ketone, Ether | |
Provide the SMILES representation for the building block token <BB_2590>. | Cc1cc(Br)cc2cc(CN)oc12 | |
What is the building block token for the following molecule? | Cc1cc(Br)cc2cc(CN)oc12 | <BB_2590> |
What is the molecular formula for <BB_2590>? | The molecular formula for <BB_2590> (Cc1cc(Br)cc2cc(CN)oc12) is C10H10BrNO. | |
Describe the ring structures in building block <BB_2590>. | 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_2590>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2590>. | **Token:** <BB_2590>
**SMILES:** Cc1cc(Br)cc2cc(CN)oc12
**Molecular Formula:** C10H10BrNO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2591>. | COC(=O)c1ccc2c(cnn2C)c1 | |
What is the building block token for the following molecule? | COC(=O)c1ccc2c(cnn2C)c1 | <BB_2591> |
What is the molecular formula for <BB_2591>? | The molecular formula for <BB_2591> (COC(=O)c1ccc2c(cnn2C)c1) is C10H10N2O2. | |
Describe the ring structures in building block <BB_2591>. | 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_2591>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2591>. | **Token:** <BB_2591>
**SMILES:** COC(=O)c1ccc2c(cnn2C)c1
**Molecular Formula:** C10H10N2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_2592>. | CC(C)c1nc(C(=O)O)cc(=O)[nH]1 | |
What is the building block token for the following molecule? | CC(C)c1nc(C(=O)O)cc(=O)[nH]1 | <BB_2592> |
What is the molecular formula for <BB_2592>? | The molecular formula for <BB_2592> (CC(C)c1nc(C(=O)O)cc(=O)[nH]1) is C8H10N2O3. | |
Describe the ring structures in building block <BB_2592>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2592>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_2592>. | **Token:** <BB_2592>
**SMILES:** CC(C)c1nc(C(=O)O)cc(=O)[nH]1
**Molecular Formula:** C8H10N2O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_2593>. | Cc1cc(C(F)(F)F)ccc1C(=O)O | |
What is the building block token for the following molecule? | Cc1cc(C(F)(F)F)ccc1C(=O)O | <BB_2593> |
What is the molecular formula for <BB_2593>? | The molecular formula for <BB_2593> (Cc1cc(C(F)(F)F)ccc1C(=O)O) is C9H7F3O2. | |
Describe the ring structures in building block <BB_2593>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2593>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2593>. | **Token:** <BB_2593>
**SMILES:** Cc1cc(C(F)(F)F)ccc1C(=O)O
**Molecular Formula:** C9H7F3O2
**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_2594>. | COC(=O)CS(=O)(=O)CC#N | |
What is the building block token for the following molecule? | COC(=O)CS(=O)(=O)CC#N | <BB_2594> |
What is the molecular formula for <BB_2594>? | The molecular formula for <BB_2594> (COC(=O)CS(=O)(=O)CC#N) is C5H7NO4S. | |
Describe the ring structures in building block <BB_2594>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2594>. | The molecule contains the following groups: Ester, Ether, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2594>. | **Token:** <BB_2594>
**SMILES:** COC(=O)CS(=O)(=O)CC#N
**Molecular Formula:** C5H7NO4S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ester, Ether, Nitrile | |
Provide the SMILES representation for the building block token <BB_2595>. | CC1CC(N)CO1.Cl | |
What is the building block token for the following molecule? | CC1CC(N)CO1.Cl | <BB_2595> |
What is the molecular formula for <BB_2595>? | The molecular formula for <BB_2595> (CC1CC(N)CO1.Cl) is C5H12ClNO. | |
Describe the ring structures in building block <BB_2595>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2595>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2595>. | **Token:** <BB_2595>
**SMILES:** CC1CC(N)CO1.Cl
**Molecular Formula:** C5H12ClNO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2596>. | Cn1cnn(CC(=O)O)c1=O | |
What is the building block token for the following molecule? | Cn1cnn(CC(=O)O)c1=O | <BB_2596> |
What is the molecular formula for <BB_2596>? | The molecular formula for <BB_2596> (Cn1cnn(CC(=O)O)c1=O) is C5H7N3O3. | |
Describe the ring structures in building block <BB_2596>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2596>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_2596>. | **Token:** <BB_2596>
**SMILES:** Cn1cnn(CC(=O)O)c1=O
**Molecular Formula:** C5H7N3O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_2597>. | Cn1nccc1C(N)C(=O)OC(C)(C)C | |
What is the building block token for the following molecule? | Cn1nccc1C(N)C(=O)OC(C)(C)C | <BB_2597> |
What is the molecular formula for <BB_2597>? | The molecular formula for <BB_2597> (Cn1nccc1C(N)C(=O)OC(C)(C)C) is C10H17N3O2. | |
Describe the ring structures in building block <BB_2597>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2597>. | The molecule contains the following groups: Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2597>. | **Token:** <BB_2597>
**SMILES:** Cn1nccc1C(N)C(=O)OC(C)(C)C
**Molecular Formula:** C10H17N3O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_2598>. | Br.O=C1CN2C=CC=CC2=N1 | |
What is the building block token for the following molecule? | Br.O=C1CN2C=CC=CC2=N1 | <BB_2598> |
What is the molecular formula for <BB_2598>? | The molecular formula for <BB_2598> (Br.O=C1CN2C=CC=CC2=N1) is C7H7BrN2O. | |
Describe the ring structures in building block <BB_2598>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2598>. | The molecule contains the following groups: Tertiary Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2598>. | **Token:** <BB_2598>
**SMILES:** Br.O=C1CN2C=CC=CC2=N1
**Molecular Formula:** C7H7BrN2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2599>. | N#Cc1cnc2c(Br)cnn2c1 | |
What is the building block token for the following molecule? | N#Cc1cnc2c(Br)cnn2c1 | <BB_2599> |
What is the molecular formula for <BB_2599>? | The molecular formula for <BB_2599> (N#Cc1cnc2c(Br)cnn2c1) is C7H3BrN4. | |
Describe the ring structures in building block <BB_2599>. | 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_2599>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2599>. | **Token:** <BB_2599>
**SMILES:** N#Cc1cnc2c(Br)cnn2c1
**Molecular Formula:** C7H3BrN4
**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), Nitrile |
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