instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_9300>. | Cl.N[C@@H](CC(=O)O)c1ccc(-c2ccccc2)cc1 | |
What is the building block token for the following molecule? | Cl.N[C@@H](CC(=O)O)c1ccc(-c2ccccc2)cc1 | <BB_9300> |
What is the molecular formula for <BB_9300>? | The molecular formula for <BB_9300> (Cl.N[C@@H](CC(=O)O)c1ccc(-c2ccccc2)cc1) is C15H16ClNO2. | |
Describe the ring structures in building block <BB_9300>. | 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_9300>. | The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9300>. | **Token:** <BB_9300>
**SMILES:** Cl.N[C@@H](CC(=O)O)c1ccc(-c2ccccc2)cc1
**Molecular Formula:** C15H16ClNO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9301>. | NC(=O)N[C@@H](Cc1ccccc1)C(=O)O | |
What is the building block token for the following molecule? | NC(=O)N[C@@H](Cc1ccccc1)C(=O)O | <BB_9301> |
What is the molecular formula for <BB_9301>? | The molecular formula for <BB_9301> (NC(=O)N[C@@H](Cc1ccccc1)C(=O)O) is C10H12N2O3. | |
Describe the ring structures in building block <BB_9301>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9301>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9301>. | **Token:** <BB_9301>
**SMILES:** NC(=O)N[C@@H](Cc1ccccc1)C(=O)O
**Molecular Formula:** C10H12N2O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_9302>. | COc1cc(C#N)ccc1OCCCO | |
What is the building block token for the following molecule? | COc1cc(C#N)ccc1OCCCO | <BB_9302> |
What is the molecular formula for <BB_9302>? | The molecular formula for <BB_9302> (COc1cc(C#N)ccc1OCCCO) is C11H13NO3. | |
Describe the ring structures in building block <BB_9302>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9302>. | The molecule contains the following groups: Alcohol, Ether, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_9302>. | **Token:** <BB_9302>
**SMILES:** COc1cc(C#N)ccc1OCCCO
**Molecular Formula:** C11H13NO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol, Ether, Nitrile | |
Provide the SMILES representation for the building block token <BB_9303>. | COc1cc(Br)nc(OC)n1 | |
What is the building block token for the following molecule? | COc1cc(Br)nc(OC)n1 | <BB_9303> |
What is the molecular formula for <BB_9303>? | The molecular formula for <BB_9303> (COc1cc(Br)nc(OC)n1) is C6H7BrN2O2. | |
Describe the ring structures in building block <BB_9303>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9303>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9303>. | **Token:** <BB_9303>
**SMILES:** COc1cc(Br)nc(OC)n1
**Molecular Formula:** C6H7BrN2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9304>. | O=C1OC(=O)[C@@H]2CC=CC[C@H]12 | |
What is the building block token for the following molecule? | O=C1OC(=O)[C@@H]2CC=CC[C@H]12 | <BB_9304> |
What is the molecular formula for <BB_9304>? | The molecular formula for <BB_9304> (O=C1OC(=O)[C@@H]2CC=CC[C@H]12) is C8H8O3. | |
Describe the ring structures in building block <BB_9304>. | 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_9304>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9304>. | **Token:** <BB_9304>
**SMILES:** O=C1OC(=O)[C@@H]2CC=CC[C@H]12
**Molecular Formula:** C8H8O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_9305>. | Cl.NC(=O)C(N)c1ccccc1 | |
What is the building block token for the following molecule? | Cl.NC(=O)C(N)c1ccccc1 | <BB_9305> |
What is the molecular formula for <BB_9305>? | The molecular formula for <BB_9305> (Cl.NC(=O)C(N)c1ccccc1) is C8H11ClN2O. | |
Describe the ring structures in building block <BB_9305>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9305>. | The molecule contains the following groups: Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9305>. | **Token:** <BB_9305>
**SMILES:** Cl.NC(=O)C(N)c1ccccc1
**Molecular Formula:** C8H11ClN2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9306>. | CC(=O)N1CCSc2ccc(N)cc21 | |
What is the building block token for the following molecule? | CC(=O)N1CCSc2ccc(N)cc21 | <BB_9306> |
What is the molecular formula for <BB_9306>? | The molecular formula for <BB_9306> (CC(=O)N1CCSc2ccc(N)cc21) is C10H12N2OS. | |
Describe the ring structures in building block <BB_9306>. | 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_9306>. | The molecule contains the following groups: Amine, Amide, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_9306>. | **Token:** <BB_9306>
**SMILES:** CC(=O)N1CCSc2ccc(N)cc21
**Molecular Formula:** C10H12N2OS
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Sulfide | |
Provide the SMILES representation for the building block token <BB_9307>. | FC(F)c1cc(Cl)ccn1 | |
What is the building block token for the following molecule? | FC(F)c1cc(Cl)ccn1 | <BB_9307> |
What is the molecular formula for <BB_9307>? | The molecular formula for <BB_9307> (FC(F)c1cc(Cl)ccn1) is C6H4ClF2N. | |
Describe the ring structures in building block <BB_9307>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9307>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9307>. | **Token:** <BB_9307>
**SMILES:** FC(F)c1cc(Cl)ccn1
**Molecular Formula:** C6H4ClF2N
**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_9308>. | Cl.NCc1nc2ncc(Br)cn2n1 | |
What is the building block token for the following molecule? | Cl.NCc1nc2ncc(Br)cn2n1 | <BB_9308> |
What is the molecular formula for <BB_9308>? | The molecular formula for <BB_9308> (Cl.NCc1nc2ncc(Br)cn2n1) is C6H7BrClN5. | |
Describe the ring structures in building block <BB_9308>. | 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_9308>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9308>. | **Token:** <BB_9308>
**SMILES:** Cl.NCc1nc2ncc(Br)cn2n1
**Molecular Formula:** C6H7BrClN5
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9309>. | O=[N+]([O-])c1c(O)c(Br)cc2c1CCC2 | |
What is the building block token for the following molecule? | O=[N+]([O-])c1c(O)c(Br)cc2c1CCC2 | <BB_9309> |
What is the molecular formula for <BB_9309>? | The molecular formula for <BB_9309> (O=[N+]([O-])c1c(O)c(Br)cc2c1CCC2) is C9H8BrNO3. | |
Describe the ring structures in building block <BB_9309>. | 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_9309>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_9309>. | **Token:** <BB_9309>
**SMILES:** O=[N+]([O-])c1c(O)c(Br)cc2c1CCC2
**Molecular Formula:** C9H8BrNO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_9310>. | O=Cc1cc(Br)cc(F)c1F | |
What is the building block token for the following molecule? | O=Cc1cc(Br)cc(F)c1F | <BB_9310> |
What is the molecular formula for <BB_9310>? | The molecular formula for <BB_9310> (O=Cc1cc(Br)cc(F)c1F) is C7H3BrF2O. | |
Describe the ring structures in building block <BB_9310>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9310>. | The molecule contains the following groups: Aldehyde, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9310>. | **Token:** <BB_9310>
**SMILES:** O=Cc1cc(Br)cc(F)c1F
**Molecular Formula:** C7H3BrF2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9311>. | CC(C)(N)c1nc(C(F)(F)F)cs1.Cl | |
What is the building block token for the following molecule? | CC(C)(N)c1nc(C(F)(F)F)cs1.Cl | <BB_9311> |
What is the molecular formula for <BB_9311>? | The molecular formula for <BB_9311> (CC(C)(N)c1nc(C(F)(F)F)cs1.Cl) is C7H10ClF3N2S. | |
Describe the ring structures in building block <BB_9311>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9311>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9311>. | **Token:** <BB_9311>
**SMILES:** CC(C)(N)c1nc(C(F)(F)F)cs1.Cl
**Molecular Formula:** C7H10ClF3N2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9312>. | NC1CCC1N1CCOCC1 | |
What is the building block token for the following molecule? | NC1CCC1N1CCOCC1 | <BB_9312> |
What is the molecular formula for <BB_9312>? | The molecular formula for <BB_9312> (NC1CCC1N1CCOCC1) is C8H16N2O. | |
Describe the ring structures in building block <BB_9312>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9312>. | The molecule contains the following groups: Amine, Tertiary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9312>. | **Token:** <BB_9312>
**SMILES:** NC1CCC1N1CCOCC1
**Molecular Formula:** C8H16N2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_9313>. | O=CCCC1CC2CCC1C2 | |
What is the building block token for the following molecule? | O=CCCC1CC2CCC1C2 | <BB_9313> |
What is the molecular formula for <BB_9313>? | The molecular formula for <BB_9313> (O=CCCC1CC2CCC1C2) is C10H16O. | |
Describe the ring structures in building block <BB_9313>. | 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_9313>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_9313>. | **Token:** <BB_9313>
**SMILES:** O=CCCC1CC2CCC1C2
**Molecular Formula:** C10H16O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_9314>. | Cc1oc(C(F)(F)F)nc1C(=O)O | |
What is the building block token for the following molecule? | Cc1oc(C(F)(F)F)nc1C(=O)O | <BB_9314> |
What is the molecular formula for <BB_9314>? | The molecular formula for <BB_9314> (Cc1oc(C(F)(F)F)nc1C(=O)O) is C6H4F3NO3. | |
Describe the ring structures in building block <BB_9314>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9314>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9314>. | **Token:** <BB_9314>
**SMILES:** Cc1oc(C(F)(F)F)nc1C(=O)O
**Molecular Formula:** C6H4F3NO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9315>. | Cc1cc(CCN)ccc1C#N.Cl | |
What is the building block token for the following molecule? | Cc1cc(CCN)ccc1C#N.Cl | <BB_9315> |
What is the molecular formula for <BB_9315>? | The molecular formula for <BB_9315> (Cc1cc(CCN)ccc1C#N.Cl) is C10H13ClN2. | |
Describe the ring structures in building block <BB_9315>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9315>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_9315>. | **Token:** <BB_9315>
**SMILES:** Cc1cc(CCN)ccc1C#N.Cl
**Molecular Formula:** C10H13ClN2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_9316>. | Cl.N[C@H]1C[C@H]2CCCCCC[C@H]21 | |
What is the building block token for the following molecule? | Cl.N[C@H]1C[C@H]2CCCCCC[C@H]21 | <BB_9316> |
What is the molecular formula for <BB_9316>? | The molecular formula for <BB_9316> (Cl.N[C@H]1C[C@H]2CCCCCC[C@H]21) is C10H20ClN. | |
Describe the ring structures in building block <BB_9316>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 8. |
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