instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_250>. | Cc1ccc(CCC(C)N)cc1 | |
What is the building block token for the following molecule? | Cc1ccc(CCC(C)N)cc1 | <BB_250> |
What is the molecular formula for <BB_250>? | The molecular formula for <BB_250> (Cc1ccc(CCC(C)N)cc1) is C11H17N. | |
Describe the ring structures in building block <BB_250>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_250>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_250>. | **Token:** <BB_250>
**SMILES:** Cc1ccc(CCC(C)N)cc1
**Molecular Formula:** C11H17N
**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_251>. | O=[N+]([O-])CC(O)C(F)(F)F | |
What is the building block token for the following molecule? | O=[N+]([O-])CC(O)C(F)(F)F | <BB_251> |
What is the molecular formula for <BB_251>? | The molecular formula for <BB_251> (O=[N+]([O-])CC(O)C(F)(F)F) is C3H4F3NO3. | |
Describe the ring structures in building block <BB_251>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_251>. | The molecule contains the following groups: Tertiary Amine, Alcohol, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_251>. | **Token:** <BB_251>
**SMILES:** O=[N+]([O-])CC(O)C(F)(F)F
**Molecular Formula:** C3H4F3NO3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Tertiary Amine, Alcohol, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_252>. | Cl.O=[N+]([O-])c1ccccc1OC1CCNC1 | |
What is the building block token for the following molecule? | Cl.O=[N+]([O-])c1ccccc1OC1CCNC1 | <BB_252> |
What is the molecular formula for <BB_252>? | The molecular formula for <BB_252> (Cl.O=[N+]([O-])c1ccccc1OC1CCNC1) is C10H13ClN2O3. | |
Describe the ring structures in building block <BB_252>. | 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_252>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Ether, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_252>. | **Token:** <BB_252>
**SMILES:** Cl.O=[N+]([O-])c1ccccc1OC1CCNC1
**Molecular Formula:** C10H13ClN2O3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Tertiary Amine, Ether, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_253>. | CC1(C)OB(C=C2CCS(=O)(=O)CC2)OC1(C)C | |
What is the building block token for the following molecule? | CC1(C)OB(C=C2CCS(=O)(=O)CC2)OC1(C)C | <BB_253> |
What is the molecular formula for <BB_253>? | The molecular formula for <BB_253> (CC1(C)OB(C=C2CCS(=O)(=O)CC2)OC1(C)C) is C12H21BO4S. | |
Describe the ring structures in building block <BB_253>. | 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_253>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_253>. | **Token:** <BB_253>
**SMILES:** CC1(C)OB(C=C2CCS(=O)(=O)CC2)OC1(C)C
**Molecular Formula:** C12H21BO4S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_254>. | N#CCCNC(=S)NN | |
What is the building block token for the following molecule? | N#CCCNC(=S)NN | <BB_254> |
What is the molecular formula for <BB_254>? | The molecular formula for <BB_254> (N#CCCNC(=S)NN) is C4H8N4S. | |
Describe the ring structures in building block <BB_254>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_254>. | The molecule contains the following groups: Amine, Secondary Amine, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_254>. | **Token:** <BB_254>
**SMILES:** N#CCCNC(=S)NN
**Molecular Formula:** C4H8N4S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Secondary Amine, Nitrile | |
Provide the SMILES representation for the building block token <BB_255>. | Cc1cccc(F)c1OCCN.Cl | |
What is the building block token for the following molecule? | Cc1cccc(F)c1OCCN.Cl | <BB_255> |
What is the molecular formula for <BB_255>? | The molecular formula for <BB_255> (Cc1cccc(F)c1OCCN.Cl) is C9H13ClFNO. | |
Describe the ring structures in building block <BB_255>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_255>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_255>. | **Token:** <BB_255>
**SMILES:** Cc1cccc(F)c1OCCN.Cl
**Molecular Formula:** C9H13ClFNO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_256>. | NCc1ccc2cnccc2c1 | |
What is the building block token for the following molecule? | NCc1ccc2cnccc2c1 | <BB_256> |
What is the molecular formula for <BB_256>? | The molecular formula for <BB_256> (NCc1ccc2cnccc2c1) is C10H10N2. | |
Describe the ring structures in building block <BB_256>. | 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_256>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_256>. | **Token:** <BB_256>
**SMILES:** NCc1ccc2cnccc2c1
**Molecular Formula:** C10H10N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_257>. | Cl.O=C(O)[C@H]1CC[C@H]2CNCC[C@H]21 | |
What is the building block token for the following molecule? | Cl.O=C(O)[C@H]1CC[C@H]2CNCC[C@H]21 | <BB_257> |
What is the molecular formula for <BB_257>? | The molecular formula for <BB_257> (Cl.O=C(O)[C@H]1CC[C@H]2CNCC[C@H]21) is C9H16ClNO2. | |
Describe the ring structures in building block <BB_257>. | 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_257>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_257>. | **Token:** <BB_257>
**SMILES:** Cl.O=C(O)[C@H]1CC[C@H]2CNCC[C@H]21
**Molecular Formula:** C9H16ClNO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_258>. | CC(C)(C)OC(=O)N1CC[C@H]2CCNC[C@H]21 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CC[C@H]2CCNC[C@H]21 | <BB_258> |
What is the molecular formula for <BB_258>? | The molecular formula for <BB_258> (CC(C)(C)OC(=O)N1CC[C@H]2CCNC[C@H]21) is C12H22N2O2. | |
Describe the ring structures in building block <BB_258>. | 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_258>. | The molecule contains the following groups: Secondary Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_258>. | **Token:** <BB_258>
**SMILES:** CC(C)(C)OC(=O)N1CC[C@H]2CCNC[C@H]21
**Molecular Formula:** C12H22N2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_259>. | C#Cc1c(C)cccc1C | |
What is the building block token for the following molecule? | C#Cc1c(C)cccc1C | <BB_259> |
What is the molecular formula for <BB_259>? | The molecular formula for <BB_259> (C#Cc1c(C)cccc1C) is C10H10. | |
Describe the ring structures in building block <BB_259>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_259>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_259>. | **Token:** <BB_259>
**SMILES:** C#Cc1c(C)cccc1C
**Molecular Formula:** C10H10
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_260>. | Cc1ccc(Br)c(F)c1CN.Cl | |
What is the building block token for the following molecule? | Cc1ccc(Br)c(F)c1CN.Cl | <BB_260> |
What is the molecular formula for <BB_260>? | The molecular formula for <BB_260> (Cc1ccc(Br)c(F)c1CN.Cl) is C8H10BrClFN. | |
Describe the ring structures in building block <BB_260>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_260>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_260>. | **Token:** <BB_260>
**SMILES:** Cc1ccc(Br)c(F)c1CN.Cl
**Molecular Formula:** C8H10BrClFN
**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_261>. | CCC1CC(Br)C(=O)O1 | |
What is the building block token for the following molecule? | CCC1CC(Br)C(=O)O1 | <BB_261> |
What is the molecular formula for <BB_261>? | The molecular formula for <BB_261> (CCC1CC(Br)C(=O)O1) is C6H9BrO2. | |
Describe the ring structures in building block <BB_261>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_261>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_261>. | **Token:** <BB_261>
**SMILES:** CCC1CC(Br)C(=O)O1
**Molecular Formula:** C6H9BrO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_262>. | Cc1ccc(CN)cc1[N+](=O)[O-] | |
What is the building block token for the following molecule? | Cc1ccc(CN)cc1[N+](=O)[O-] | <BB_262> |
What is the molecular formula for <BB_262>? | The molecular formula for <BB_262> (Cc1ccc(CN)cc1[N+](=O)[O-]) is C8H10N2O2. | |
Describe the ring structures in building block <BB_262>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_262>. | The molecule contains the following groups: Amine, Tertiary Amine, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_262>. | **Token:** <BB_262>
**SMILES:** Cc1ccc(CN)cc1[N+](=O)[O-]
**Molecular Formula:** C8H10N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Nitro | |
Provide the SMILES representation for the building block token <BB_263>. | O=C(O)c1cccc(-c2ccc(F)cc2)n1 | |
What is the building block token for the following molecule? | O=C(O)c1cccc(-c2ccc(F)cc2)n1 | <BB_263> |
What is the molecular formula for <BB_263>? | The molecular formula for <BB_263> (O=C(O)c1cccc(-c2ccc(F)cc2)n1) is C12H8FNO2. | |
Describe the ring structures in building block <BB_263>. | 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_263>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_263>. | **Token:** <BB_263>
**SMILES:** O=C(O)c1cccc(-c2ccc(F)cc2)n1
**Molecular Formula:** C12H8FNO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, 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_264>. | CC1CC(O)c2nccn21 | |
What is the building block token for the following molecule? | CC1CC(O)c2nccn21 | <BB_264> |
What is the molecular formula for <BB_264>? | The molecular formula for <BB_264> (CC1CC(O)c2nccn21) is C7H10N2O. | |
Describe the ring structures in building block <BB_264>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_264>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_264>. | **Token:** <BB_264>
**SMILES:** CC1CC(O)c2nccn21
**Molecular Formula:** C7H10N2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_265>. | Cl.O=C(CCl)N1CCN(Cc2cccs2)CC1 | |
What is the building block token for the following molecule? | Cl.O=C(CCl)N1CCN(Cc2cccs2)CC1 | <BB_265> |
What is the molecular formula for <BB_265>? | The molecular formula for <BB_265> (Cl.O=C(CCl)N1CCN(Cc2cccs2)CC1) is C11H16Cl2N2OS. | |
Describe the ring structures in building block <BB_265>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_265>. | The molecule contains the following groups: Tertiary Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_265>. | **Token:** <BB_265>
**SMILES:** Cl.O=C(CCl)N1CCN(Cc2cccs2)CC1
**Molecular Formula:** C11H16Cl2N2OS
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Tertiary Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_266>. | CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)C1(C)C | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)C1(C)C | <BB_266> |
What is the molecular formula for <BB_266>? | The molecular formula for <BB_266> (CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)C1(C)C) is C12H23NO3. | |
Describe the ring structures in building block <BB_266>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. |
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