instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_2633>? | The molecular formula for <BB_2633> (O=C([O-])Cc1nnc(-c2ccncc2)[nH]1.[Na+]) is C9H7N4NaO2. | |
Describe the ring structures in building block <BB_2633>. | 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_2633>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_2633>. | **Token:** <BB_2633>
**SMILES:** O=C([O-])Cc1nnc(-c2ccncc2)[nH]1.[Na+]
**Molecular Formula:** C9H7N4NaO2
**Ring System:** The molecule contains 2 ring(s): 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_2634>. | O=S(=O)(Cl)c1cc2cc(F)ccc2s1 | |
What is the building block token for the following molecule? | O=S(=O)(Cl)c1cc2cc(F)ccc2s1 | <BB_2634> |
What is the molecular formula for <BB_2634>? | The molecular formula for <BB_2634> (O=S(=O)(Cl)c1cc2cc(F)ccc2s1) is C8H4ClFO2S2. | |
Describe the ring structures in building block <BB_2634>. | 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_2634>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2634>. | **Token:** <BB_2634>
**SMILES:** O=S(=O)(Cl)c1cc2cc(F)ccc2s1
**Molecular Formula:** C8H4ClFO2S2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2635>. | Cl.Nc1ccccc1Nc1ccccc1 | |
What is the building block token for the following molecule? | Cl.Nc1ccccc1Nc1ccccc1 | <BB_2635> |
What is the molecular formula for <BB_2635>? | The molecular formula for <BB_2635> (Cl.Nc1ccccc1Nc1ccccc1) is C12H13ClN2. | |
Describe the ring structures in building block <BB_2635>. | 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_2635>. | The molecule contains the following groups: Amine, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2635>. | **Token:** <BB_2635>
**SMILES:** Cl.Nc1ccccc1Nc1ccccc1
**Molecular Formula:** C12H13ClN2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2636>. | Cc1ccc(C(F)F)cc1N | |
What is the building block token for the following molecule? | Cc1ccc(C(F)F)cc1N | <BB_2636> |
What is the molecular formula for <BB_2636>? | The molecular formula for <BB_2636> (Cc1ccc(C(F)F)cc1N) is C8H9F2N. | |
Describe the ring structures in building block <BB_2636>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2636>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2636>. | **Token:** <BB_2636>
**SMILES:** Cc1ccc(C(F)F)cc1N
**Molecular Formula:** C8H9F2N
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2637>. | CC(C)(C)OC(=O)N1C[C@H](C(=O)O)C[C@H]2C[C@H]21 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1C[C@H](C(=O)O)C[C@H]2C[C@H]21 | <BB_2637> |
What is the molecular formula for <BB_2637>? | The molecular formula for <BB_2637> (CC(C)(C)OC(=O)N1C[C@H](C(=O)O)C[C@H]2C[C@H]21) is C12H19NO4. | |
Describe the ring structures in building block <BB_2637>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_2637>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2637>. | **Token:** <BB_2637>
**SMILES:** CC(C)(C)OC(=O)N1C[C@H](C(=O)O)C[C@H]2C[C@H]21
**Molecular Formula:** C12H19NO4
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2638>. | C#CC1(C2CC2)CC1 | |
What is the building block token for the following molecule? | C#CC1(C2CC2)CC1 | <BB_2638> |
What is the molecular formula for <BB_2638>? | The molecular formula for <BB_2638> (C#CC1(C2CC2)CC1) is C8H10. | |
Describe the ring structures in building block <BB_2638>. | The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_2638>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_2638>. | **Token:** <BB_2638>
**SMILES:** C#CC1(C2CC2)CC1
**Molecular Formula:** C8H10
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 3.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_2639>. | Fc1ccc2c(CCCl)noc2c1 | |
What is the building block token for the following molecule? | Fc1ccc2c(CCCl)noc2c1 | <BB_2639> |
What is the molecular formula for <BB_2639>? | The molecular formula for <BB_2639> (Fc1ccc2c(CCCl)noc2c1) is C9H7ClFNO. | |
Describe the ring structures in building block <BB_2639>. | 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_2639>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2639>. | **Token:** <BB_2639>
**SMILES:** Fc1ccc2c(CCCl)noc2c1
**Molecular Formula:** C9H7ClFNO
**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_2640>. | CCC(C=O)=Cc1cccnc1 | |
What is the building block token for the following molecule? | CCC(C=O)=Cc1cccnc1 | <BB_2640> |
What is the molecular formula for <BB_2640>? | The molecular formula for <BB_2640> (CCC(C=O)=Cc1cccnc1) is C10H11NO. | |
Describe the ring structures in building block <BB_2640>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2640>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_2640>. | **Token:** <BB_2640>
**SMILES:** CCC(C=O)=Cc1cccnc1
**Molecular Formula:** C10H11NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_2641>. | COC(=O)C1(F)CCCCC1=O | |
What is the building block token for the following molecule? | COC(=O)C1(F)CCCCC1=O | <BB_2641> |
What is the molecular formula for <BB_2641>? | The molecular formula for <BB_2641> (COC(=O)C1(F)CCCCC1=O) is C8H11FO3. | |
Describe the ring structures in building block <BB_2641>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2641>. | The molecule contains the following groups: Ester, Ketone, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2641>. | **Token:** <BB_2641>
**SMILES:** COC(=O)C1(F)CCCCC1=O
**Molecular Formula:** C8H11FO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Ester, Ketone, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2642>. | COc1ccc(N)cc1-n1cnnn1 | |
What is the building block token for the following molecule? | COc1ccc(N)cc1-n1cnnn1 | <BB_2642> |
What is the molecular formula for <BB_2642>? | The molecular formula for <BB_2642> (COc1ccc(N)cc1-n1cnnn1) is C8H9N5O. | |
Describe the ring structures in building block <BB_2642>. | 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_2642>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2642>. | **Token:** <BB_2642>
**SMILES:** COc1ccc(N)cc1-n1cnnn1
**Molecular Formula:** C8H9N5O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_2643>. | Cl.Clc1ncco1 | |
What is the building block token for the following molecule? | Cl.Clc1ncco1 | <BB_2643> |
What is the molecular formula for <BB_2643>? | The molecular formula for <BB_2643> (Cl.Clc1ncco1) is C3H3Cl2NO. | |
Describe the ring structures in building block <BB_2643>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2643>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2643>. | **Token:** <BB_2643>
**SMILES:** Cl.Clc1ncco1
**Molecular Formula:** C3H3Cl2NO
**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_2644>. | CCn1c2ccccc2c2cc(N=C=S)ccc21 | |
What is the building block token for the following molecule? | CCn1c2ccccc2c2cc(N=C=S)ccc21 | <BB_2644> |
What is the molecular formula for <BB_2644>? | The molecular formula for <BB_2644> (CCn1c2ccccc2c2cc(N=C=S)ccc21) is C15H12N2S. | |
Describe the ring structures in building block <BB_2644>. | The molecule contains 3 ring(s): an aromatic ring of size 5, an aromatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2644>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_2644>. | **Token:** <BB_2644>
**SMILES:** CCn1c2ccccc2c2cc(N=C=S)ccc21
**Molecular Formula:** C15H12N2S
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 5, 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_2645>. | CNC(=O)ON(C(C)=O)C(=O)NC | |
What is the building block token for the following molecule? | CNC(=O)ON(C(C)=O)C(=O)NC | <BB_2645> |
What is the molecular formula for <BB_2645>? | The molecular formula for <BB_2645> (CNC(=O)ON(C(C)=O)C(=O)NC) is C6H11N3O4. | |
Describe the ring structures in building block <BB_2645>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2645>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_2645>. | **Token:** <BB_2645>
**SMILES:** CNC(=O)ON(C(C)=O)C(=O)NC
**Molecular Formula:** C6H11N3O4
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_2646>. | CC(=O)OCC1CCNC1.Cl | |
What is the building block token for the following molecule? | CC(=O)OCC1CCNC1.Cl | <BB_2646> |
What is the molecular formula for <BB_2646>? | The molecular formula for <BB_2646> (CC(=O)OCC1CCNC1.Cl) is C7H14ClNO2. | |
Describe the ring structures in building block <BB_2646>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2646>. | 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_2646>. | **Token:** <BB_2646>
**SMILES:** CC(=O)OCC1CCNC1.Cl
**Molecular Formula:** C7H14ClNO2
**Ring System:** The molecule contains 1 ring(s): 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_2647>. | CC(Br)c1ccc(Cl)c(C(F)(F)F)c1 | |
What is the building block token for the following molecule? | CC(Br)c1ccc(Cl)c(C(F)(F)F)c1 | <BB_2647> |
What is the molecular formula for <BB_2647>? | The molecular formula for <BB_2647> (CC(Br)c1ccc(Cl)c(C(F)(F)F)c1) is C9H7BrClF3. | |
Describe the ring structures in building block <BB_2647>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2647>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2647>. | **Token:** <BB_2647>
**SMILES:** CC(Br)c1ccc(Cl)c(C(F)(F)F)c1
**Molecular Formula:** C9H7BrClF3
**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_2648>. | COC(=O)c1nn(C)c(I)c1I | |
What is the building block token for the following molecule? | COC(=O)c1nn(C)c(I)c1I | <BB_2648> |
What is the molecular formula for <BB_2648>? | The molecular formula for <BB_2648> (COC(=O)c1nn(C)c(I)c1I) is C6H6I2N2O2. | |
Describe the ring structures in building block <BB_2648>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2648>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2648>. | **Token:** <BB_2648>
**SMILES:** COC(=O)c1nn(C)c(I)c1I
**Molecular Formula:** C6H6I2N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2649>. | CCc1sccc1B1OC(C)(C)C(C)(C)O1 | |
What is the building block token for the following molecule? | CCc1sccc1B1OC(C)(C)C(C)(C)O1 | <BB_2649> |
What is the molecular formula for <BB_2649>? | The molecular formula for <BB_2649> (CCc1sccc1B1OC(C)(C)C(C)(C)O1) is C12H19BO2S. | |
Describe the ring structures in building block <BB_2649>. | 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_2649>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_2649>. | **Token:** <BB_2649>
**SMILES:** CCc1sccc1B1OC(C)(C)C(C)(C)O1
**Molecular Formula:** C12H19BO2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** None specific |
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