instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_750>. | C#Cc1ccc(CC)s1 | |
What is the building block token for the following molecule? | C#Cc1ccc(CC)s1 | <BB_750> |
What is the molecular formula for <BB_750>? | The molecular formula for <BB_750> (C#Cc1ccc(CC)s1) is C8H8S. | |
Describe the ring structures in building block <BB_750>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_750>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_750>. | **Token:** <BB_750>
**SMILES:** C#Cc1ccc(CC)s1
**Molecular Formula:** C8H8S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_751>. | CC1(C)OB(C2CC(F)(F)C2)OC1(C)C | |
What is the building block token for the following molecule? | CC1(C)OB(C2CC(F)(F)C2)OC1(C)C | <BB_751> |
What is the molecular formula for <BB_751>? | The molecular formula for <BB_751> (CC1(C)OB(C2CC(F)(F)C2)OC1(C)C) is C10H17BF2O2. | |
Describe the ring structures in building block <BB_751>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_751>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_751>. | **Token:** <BB_751>
**SMILES:** CC1(C)OB(C2CC(F)(F)C2)OC1(C)C
**Molecular Formula:** C10H17BF2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 4.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_752>. | CC1(C)OB(c2cc(C=O)cs2)OC1(C)C | |
What is the building block token for the following molecule? | CC1(C)OB(c2cc(C=O)cs2)OC1(C)C | <BB_752> |
What is the molecular formula for <BB_752>? | The molecular formula for <BB_752> (CC1(C)OB(c2cc(C=O)cs2)OC1(C)C) is C11H15BO3S. | |
Describe the ring structures in building block <BB_752>. | 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_752>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_752>. | **Token:** <BB_752>
**SMILES:** CC1(C)OB(c2cc(C=O)cs2)OC1(C)C
**Molecular Formula:** C11H15BO3S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_753>. | O=C(Cl)[C@@H]1C[C@H]1c1ccc(F)cc1 | |
What is the building block token for the following molecule? | O=C(Cl)[C@@H]1C[C@H]1c1ccc(F)cc1 | <BB_753> |
What is the molecular formula for <BB_753>? | The molecular formula for <BB_753> (O=C(Cl)[C@@H]1C[C@H]1c1ccc(F)cc1) is C10H8ClFO. | |
Describe the ring structures in building block <BB_753>. | The molecule contains 2 ring(s): an aliphatic ring of size 3, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_753>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_753>. | **Token:** <BB_753>
**SMILES:** O=C(Cl)[C@@H]1C[C@H]1c1ccc(F)cc1
**Molecular Formula:** C10H8ClFO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 3, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_754>. | O[C@H]1C[C@H](CCBr)C1 | |
What is the building block token for the following molecule? | O[C@H]1C[C@H](CCBr)C1 | <BB_754> |
What is the molecular formula for <BB_754>? | The molecular formula for <BB_754> (O[C@H]1C[C@H](CCBr)C1) is C6H11BrO. | |
Describe the ring structures in building block <BB_754>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_754>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_754>. | **Token:** <BB_754>
**SMILES:** O[C@H]1C[C@H](CCBr)C1
**Molecular Formula:** C6H11BrO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_755>. | Cl.Cl.NC[C@H](O)CN1CCCCC1 | |
What is the building block token for the following molecule? | Cl.Cl.NC[C@H](O)CN1CCCCC1 | <BB_755> |
What is the molecular formula for <BB_755>? | The molecular formula for <BB_755> (Cl.Cl.NC[C@H](O)CN1CCCCC1) is C8H20Cl2N2O. | |
Describe the ring structures in building block <BB_755>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_755>. | The molecule contains the following groups: Amine, Tertiary Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_755>. | **Token:** <BB_755>
**SMILES:** Cl.Cl.NC[C@H](O)CN1CCCCC1
**Molecular Formula:** C8H20Cl2N2O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_756>. | CC1CCC(C)C1N | |
What is the building block token for the following molecule? | CC1CCC(C)C1N | <BB_756> |
What is the molecular formula for <BB_756>? | The molecular formula for <BB_756> (CC1CCC(C)C1N) is C7H15N. | |
Describe the ring structures in building block <BB_756>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_756>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_756>. | **Token:** <BB_756>
**SMILES:** CC1CCC(C)C1N
**Molecular Formula:** C7H15N
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_757>. | CSCC[C@H](N)c1nc2ccccc2[nH]1.Cl.Cl | |
What is the building block token for the following molecule? | CSCC[C@H](N)c1nc2ccccc2[nH]1.Cl.Cl | <BB_757> |
What is the molecular formula for <BB_757>? | The molecular formula for <BB_757> (CSCC[C@H](N)c1nc2ccccc2[nH]1.Cl.Cl) is C11H17Cl2N3S. | |
Describe the ring structures in building block <BB_757>. | 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_757>. | The molecule contains the following groups: Amine, Sulfide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_757>. | **Token:** <BB_757>
**SMILES:** CSCC[C@H](N)c1nc2ccccc2[nH]1.Cl.Cl
**Molecular Formula:** C11H17Cl2N3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Sulfide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_758>. | CCc1cc(C(=O)OC)cc(CC)c1CC(=O)O | |
What is the building block token for the following molecule? | CCc1cc(C(=O)OC)cc(CC)c1CC(=O)O | <BB_758> |
What is the molecular formula for <BB_758>? | The molecular formula for <BB_758> (CCc1cc(C(=O)OC)cc(CC)c1CC(=O)O) is C14H18O4. | |
Describe the ring structures in building block <BB_758>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_758>. | The molecule contains the following groups: Carboxylic Acid, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_758>. | **Token:** <BB_758>
**SMILES:** CCc1cc(C(=O)OC)cc(CC)c1CC(=O)O
**Molecular Formula:** C14H18O4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_759>. | Cl.NCC(O)c1ccc(O)c([N+](=O)[O-])c1 | |
What is the building block token for the following molecule? | Cl.NCC(O)c1ccc(O)c([N+](=O)[O-])c1 | <BB_759> |
What is the molecular formula for <BB_759>? | The molecular formula for <BB_759> (Cl.NCC(O)c1ccc(O)c([N+](=O)[O-])c1) is C8H11ClN2O4. | |
Describe the ring structures in building block <BB_759>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_759>. | The molecule contains the following groups: Amine, Tertiary Amine, Alcohol, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_759>. | **Token:** <BB_759>
**SMILES:** Cl.NCC(O)c1ccc(O)c([N+](=O)[O-])c1
**Molecular Formula:** C8H11ClN2O4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Alcohol, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_760>. | Cl.NC1CCCCc2cc(Br)ccc21 | |
What is the building block token for the following molecule? | Cl.NC1CCCCc2cc(Br)ccc21 | <BB_760> |
What is the molecular formula for <BB_760>? | The molecular formula for <BB_760> (Cl.NC1CCCCc2cc(Br)ccc21) is C11H15BrClN. | |
Describe the ring structures in building block <BB_760>. | The molecule contains 2 ring(s): an aliphatic ring of size 7, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_760>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_760>. | **Token:** <BB_760>
**SMILES:** Cl.NC1CCCCc2cc(Br)ccc21
**Molecular Formula:** C11H15BrClN
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 7, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_761>. | O=C(CCl)NCC1CCCCC1 | |
What is the building block token for the following molecule? | O=C(CCl)NCC1CCCCC1 | <BB_761> |
What is the molecular formula for <BB_761>? | The molecular formula for <BB_761> (O=C(CCl)NCC1CCCCC1) is C9H16ClNO. | |
Describe the ring structures in building block <BB_761>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_761>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_761>. | **Token:** <BB_761>
**SMILES:** O=C(CCl)NCC1CCCCC1
**Molecular Formula:** C9H16ClNO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_762>. | NC(=O)c1cccc(S(=O)(=O)Cl)c1 | |
What is the building block token for the following molecule? | NC(=O)c1cccc(S(=O)(=O)Cl)c1 | <BB_762> |
What is the molecular formula for <BB_762>? | The molecular formula for <BB_762> (NC(=O)c1cccc(S(=O)(=O)Cl)c1) is C7H6ClNO3S. | |
Describe the ring structures in building block <BB_762>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_762>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_762>. | **Token:** <BB_762>
**SMILES:** NC(=O)c1cccc(S(=O)(=O)Cl)c1
**Molecular Formula:** C7H6ClNO3S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_763>. | Cc1cc(CC#N)c(F)cc1Br | |
What is the building block token for the following molecule? | Cc1cc(CC#N)c(F)cc1Br | <BB_763> |
What is the molecular formula for <BB_763>? | The molecular formula for <BB_763> (Cc1cc(CC#N)c(F)cc1Br) is C9H7BrFN. | |
Describe the ring structures in building block <BB_763>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_763>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_763>. | **Token:** <BB_763>
**SMILES:** Cc1cc(CC#N)c(F)cc1Br
**Molecular Formula:** C9H7BrFN
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_764>. | CNCCCCC(=O)OC.Cl | |
What is the building block token for the following molecule? | CNCCCCC(=O)OC.Cl | <BB_764> |
What is the molecular formula for <BB_764>? | The molecular formula for <BB_764> (CNCCCCC(=O)OC.Cl) is C7H16ClNO2. | |
Describe the ring structures in building block <BB_764>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_764>. | 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_764>. | **Token:** <BB_764>
**SMILES:** CNCCCCC(=O)OC.Cl
**Molecular Formula:** C7H16ClNO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_765>. | CC1CCc2c(sc3nc(S)nc(N)c23)C1 | |
What is the building block token for the following molecule? | CC1CCc2c(sc3nc(S)nc(N)c23)C1 | <BB_765> |
What is the molecular formula for <BB_765>? | The molecular formula for <BB_765> (CC1CCc2c(sc3nc(S)nc(N)c23)C1) is C11H13N3S2. | |
Describe the ring structures in building block <BB_765>. | The molecule contains 3 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_765>. | The molecule contains the following groups: Amine, Thiol. | |
Provide a comprehensive chemical profile for the building block <BB_765>. | **Token:** <BB_765>
**SMILES:** CC1CCc2c(sc3nc(S)nc(N)c23)C1
**Molecular Formula:** C11H13N3S2
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Thiol | |
Provide the SMILES representation for the building block token <BB_766>. | Cc1ccc(CN=[N+]=[N-])cc1 | |
What is the building block token for the following molecule? | Cc1ccc(CN=[N+]=[N-])cc1 | <BB_766> |
What is the molecular formula for <BB_766>? | The molecular formula for <BB_766> (Cc1ccc(CN=[N+]=[N-])cc1) is C8H9N3. | |
Describe the ring structures in building block <BB_766>. | The molecule contains 1 ring(s): an aromatic ring of size 6. |
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