instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_9283>? | The molecular formula for <BB_9283> (O=C(O)c1cccc(-n2cnnc2)c1) is C9H7N3O2. | |
Describe the ring structures in building block <BB_9283>. | 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_9283>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_9283>. | **Token:** <BB_9283>
**SMILES:** O=C(O)c1cccc(-n2cnnc2)c1
**Molecular Formula:** C9H7N3O2
**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_9284>. | OCCc1ccnc(F)c1F | |
What is the building block token for the following molecule? | OCCc1ccnc(F)c1F | <BB_9284> |
What is the molecular formula for <BB_9284>? | The molecular formula for <BB_9284> (OCCc1ccnc(F)c1F) is C7H7F2NO. | |
Describe the ring structures in building block <BB_9284>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9284>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9284>. | **Token:** <BB_9284>
**SMILES:** OCCc1ccnc(F)c1F
**Molecular Formula:** C7H7F2NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9285>. | CC(=CB1OC(C)(C)C(C)(C)O1)c1ccccc1 | |
What is the building block token for the following molecule? | CC(=CB1OC(C)(C)C(C)(C)O1)c1ccccc1 | <BB_9285> |
What is the molecular formula for <BB_9285>? | The molecular formula for <BB_9285> (CC(=CB1OC(C)(C)C(C)(C)O1)c1ccccc1) is C15H21BO2. | |
Describe the ring structures in building block <BB_9285>. | 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_9285>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_9285>. | **Token:** <BB_9285>
**SMILES:** CC(=CB1OC(C)(C)C(C)(C)O1)c1ccccc1
**Molecular Formula:** C15H21BO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_9286>. | Cl.O[C@@H]1CN[C@H]1C1CCC1 | |
What is the building block token for the following molecule? | Cl.O[C@@H]1CN[C@H]1C1CCC1 | <BB_9286> |
What is the molecular formula for <BB_9286>? | The molecular formula for <BB_9286> (Cl.O[C@@H]1CN[C@H]1C1CCC1) is C7H14ClNO. | |
Describe the ring structures in building block <BB_9286>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_9286>. | The molecule contains the following groups: Secondary Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9286>. | **Token:** <BB_9286>
**SMILES:** Cl.O[C@@H]1CN[C@H]1C1CCC1
**Molecular Formula:** C7H14ClNO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4.
**Functional Groups:** Secondary Amine, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9287>. | Cc1cc(Cl)c([N+](=O)[O-])cc1O | |
What is the building block token for the following molecule? | Cc1cc(Cl)c([N+](=O)[O-])cc1O | <BB_9287> |
What is the molecular formula for <BB_9287>? | The molecular formula for <BB_9287> (Cc1cc(Cl)c([N+](=O)[O-])cc1O) is C7H6ClNO3. | |
Describe the ring structures in building block <BB_9287>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9287>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_9287>. | **Token:** <BB_9287>
**SMILES:** Cc1cc(Cl)c([N+](=O)[O-])cc1O
**Molecular Formula:** C7H6ClNO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_9288>. | CC(=O)c1sc2nc(CCl)[nH]c(=O)c2c1C | |
What is the building block token for the following molecule? | CC(=O)c1sc2nc(CCl)[nH]c(=O)c2c1C | <BB_9288> |
What is the molecular formula for <BB_9288>? | The molecular formula for <BB_9288> (CC(=O)c1sc2nc(CCl)[nH]c(=O)c2c1C) is C10H9ClN2O2S. | |
Describe the ring structures in building block <BB_9288>. | 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_9288>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9288>. | **Token:** <BB_9288>
**SMILES:** CC(=O)c1sc2nc(CCl)[nH]c(=O)c2c1C
**Molecular Formula:** C10H9ClN2O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9289>. | N#CCCCCCC#N | |
What is the building block token for the following molecule? | N#CCCCCCC#N | <BB_9289> |
What is the molecular formula for <BB_9289>? | The molecular formula for <BB_9289> (N#CCCCCCC#N) is C7H10N2. | |
Describe the ring structures in building block <BB_9289>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9289>. | The molecule contains the following groups: Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_9289>. | **Token:** <BB_9289>
**SMILES:** N#CCCCCCC#N
**Molecular Formula:** C7H10N2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Nitrile | |
Provide the SMILES representation for the building block token <BB_9290>. | CCCN(N)C(=O)C1CC1 | |
What is the building block token for the following molecule? | CCCN(N)C(=O)C1CC1 | <BB_9290> |
What is the molecular formula for <BB_9290>? | The molecular formula for <BB_9290> (CCCN(N)C(=O)C1CC1) is C7H14N2O. | |
Describe the ring structures in building block <BB_9290>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_9290>. | The molecule contains the following groups: Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9290>. | **Token:** <BB_9290>
**SMILES:** CCCN(N)C(=O)C1CC1
**Molecular Formula:** C7H14N2O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Amine, Amide | |
Provide the SMILES representation for the building block token <BB_9291>. | CC1CNC(C2CC2)C1.Cl | |
What is the building block token for the following molecule? | CC1CNC(C2CC2)C1.Cl | <BB_9291> |
What is the molecular formula for <BB_9291>? | The molecular formula for <BB_9291> (CC1CNC(C2CC2)C1.Cl) is C8H16ClN. | |
Describe the ring structures in building block <BB_9291>. | 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_9291>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9291>. | **Token:** <BB_9291>
**SMILES:** CC1CNC(C2CC2)C1.Cl
**Molecular Formula:** C8H16ClN
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9292>. | Cc1nccn1CCN | |
What is the building block token for the following molecule? | Cc1nccn1CCN | <BB_9292> |
What is the molecular formula for <BB_9292>? | The molecular formula for <BB_9292> (Cc1nccn1CCN) is C6H11N3. | |
Describe the ring structures in building block <BB_9292>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9292>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9292>. | **Token:** <BB_9292>
**SMILES:** Cc1nccn1CCN
**Molecular Formula:** C6H11N3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_9293>. | O=c1nc2cccccc-2n1Cc1ccccc1 | |
What is the building block token for the following molecule? | O=c1nc2cccccc-2n1Cc1ccccc1 | <BB_9293> |
What is the molecular formula for <BB_9293>? | The molecular formula for <BB_9293> (O=c1nc2cccccc-2n1Cc1ccccc1) is C15H12N2O. | |
Describe the ring structures in building block <BB_9293>. | The molecule contains 3 ring(s): an aromatic ring of size 5, an aromatic ring of size 7, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9293>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_9293>. | **Token:** <BB_9293>
**SMILES:** O=c1nc2cccccc-2n1Cc1ccccc1
**Molecular Formula:** C15H12N2O
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 5, an aromatic ring of size 7, an aromatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_9294>. | CN1CC2(CNC2)C1.Cl.Cl | |
What is the building block token for the following molecule? | CN1CC2(CNC2)C1.Cl.Cl | <BB_9294> |
What is the molecular formula for <BB_9294>? | The molecular formula for <BB_9294> (CN1CC2(CNC2)C1.Cl.Cl) is C6H14Cl2N2. | |
Describe the ring structures in building block <BB_9294>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_9294>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9294>. | **Token:** <BB_9294>
**SMILES:** CN1CC2(CNC2)C1.Cl.Cl
**Molecular Formula:** C6H14Cl2N2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4.
**Functional Groups:** Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9295>. | NC1CCN(CCCO)C1 | |
What is the building block token for the following molecule? | NC1CCN(CCCO)C1 | <BB_9295> |
What is the molecular formula for <BB_9295>? | The molecular formula for <BB_9295> (NC1CCN(CCCO)C1) is C7H16N2O. | |
Describe the ring structures in building block <BB_9295>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9295>. | The molecule contains the following groups: Amine, Tertiary Amine, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_9295>. | **Token:** <BB_9295>
**SMILES:** NC1CCN(CCCO)C1
**Molecular Formula:** C7H16N2O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amine, Tertiary Amine, Alcohol | |
Provide the SMILES representation for the building block token <BB_9296>. | O=C(CCCl)c1ccc(F)cc1F | |
What is the building block token for the following molecule? | O=C(CCCl)c1ccc(F)cc1F | <BB_9296> |
What is the molecular formula for <BB_9296>? | The molecular formula for <BB_9296> (O=C(CCCl)c1ccc(F)cc1F) is C9H7ClF2O. | |
Describe the ring structures in building block <BB_9296>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9296>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9296>. | **Token:** <BB_9296>
**SMILES:** O=C(CCCl)c1ccc(F)cc1F
**Molecular Formula:** C9H7ClF2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9297>. | O=C(O)c1csc2c(I)ncn12 | |
What is the building block token for the following molecule? | O=C(O)c1csc2c(I)ncn12 | <BB_9297> |
What is the molecular formula for <BB_9297>? | The molecular formula for <BB_9297> (O=C(O)c1csc2c(I)ncn12) is C6H3IN2O2S. | |
Describe the ring structures in building block <BB_9297>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9297>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9297>. | **Token:** <BB_9297>
**SMILES:** O=C(O)c1csc2c(I)ncn12
**Molecular Formula:** C6H3IN2O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, 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_9298>. | C[C@H](N)COCc1ccccc1 | |
What is the building block token for the following molecule? | C[C@H](N)COCc1ccccc1 | <BB_9298> |
What is the molecular formula for <BB_9298>? | The molecular formula for <BB_9298> (C[C@H](N)COCc1ccccc1) is C10H15NO. | |
Describe the ring structures in building block <BB_9298>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9298>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9298>. | **Token:** <BB_9298>
**SMILES:** C[C@H](N)COCc1ccccc1
**Molecular Formula:** C10H15NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_9299>. | Cc1c(N)cccc1-c1nnco1 | |
What is the building block token for the following molecule? | Cc1c(N)cccc1-c1nnco1 | <BB_9299> |
What is the molecular formula for <BB_9299>? | The molecular formula for <BB_9299> (Cc1c(N)cccc1-c1nnco1) is C9H9N3O. | |
Describe the ring structures in building block <BB_9299>. | 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_9299>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9299>. | **Token:** <BB_9299>
**SMILES:** Cc1c(N)cccc1-c1nnco1
**Molecular Formula:** C9H9N3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine |
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