instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_9733>? | The molecular formula for <BB_9733> (CCN1CC(C)C(N)C1) is C7H16N2. | |
Describe the ring structures in building block <BB_9733>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9733>. | The molecule contains the following groups: Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9733>. | **Token:** <BB_9733>
**SMILES:** CCN1CC(C)C(N)C1
**Molecular Formula:** C7H16N2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_9734>. | O=S1(=O)CCC(Cc2nnc(S)o2)C1 | |
What is the building block token for the following molecule? | O=S1(=O)CCC(Cc2nnc(S)o2)C1 | <BB_9734> |
What is the molecular formula for <BB_9734>? | The molecular formula for <BB_9734> (O=S1(=O)CCC(Cc2nnc(S)o2)C1) is C7H10N2O3S2. | |
Describe the ring structures in building block <BB_9734>. | 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_9734>. | The molecule contains the following groups: Thiol. | |
Provide a comprehensive chemical profile for the building block <BB_9734>. | **Token:** <BB_9734>
**SMILES:** O=S1(=O)CCC(Cc2nnc(S)o2)C1
**Molecular Formula:** C7H10N2O3S2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Thiol | |
Provide the SMILES representation for the building block token <BB_9735>. | COC(=O)C1CC(F)(F)C1(Cl)Cl | |
What is the building block token for the following molecule? | COC(=O)C1CC(F)(F)C1(Cl)Cl | <BB_9735> |
What is the molecular formula for <BB_9735>? | The molecular formula for <BB_9735> (COC(=O)C1CC(F)(F)C1(Cl)Cl) is C6H6Cl2F2O2. | |
Describe the ring structures in building block <BB_9735>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_9735>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9735>. | **Token:** <BB_9735>
**SMILES:** COC(=O)C1CC(F)(F)C1(Cl)Cl
**Molecular Formula:** C6H6Cl2F2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9736>. | CN(C)/C=C(\C#N)c1nc2ccccc2[nH]1 | |
What is the building block token for the following molecule? | CN(C)/C=C(\C#N)c1nc2ccccc2[nH]1 | <BB_9736> |
What is the molecular formula for <BB_9736>? | The molecular formula for <BB_9736> (CN(C)/C=C(\C#N)c1nc2ccccc2[nH]1) is C12H12N4. | |
Describe the ring structures in building block <BB_9736>. | 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_9736>. | The molecule contains the following groups: Tertiary Amine, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_9736>. | **Token:** <BB_9736>
**SMILES:** CN(C)/C=C(\C#N)c1nc2ccccc2[nH]1
**Molecular Formula:** C12H12N4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Nitrile | |
Provide the SMILES representation for the building block token <BB_9737>. | COc1ccc(N2CC(C(N)=O)CC2=O)cc1 | |
What is the building block token for the following molecule? | COc1ccc(N2CC(C(N)=O)CC2=O)cc1 | <BB_9737> |
What is the molecular formula for <BB_9737>? | The molecular formula for <BB_9737> (COc1ccc(N2CC(C(N)=O)CC2=O)cc1) is C12H14N2O3. | |
Describe the ring structures in building block <BB_9737>. | 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_9737>. | The molecule contains the following groups: Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9737>. | **Token:** <BB_9737>
**SMILES:** COc1ccc(N2CC(C(N)=O)CC2=O)cc1
**Molecular Formula:** C12H14N2O3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amide, Ether | |
Provide the SMILES representation for the building block token <BB_9738>. | O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl | |
What is the building block token for the following molecule? | O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl | <BB_9738> |
What is the molecular formula for <BB_9738>? | The molecular formula for <BB_9738> (O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl) is C11H13ClN2O4S. | |
Describe the ring structures in building block <BB_9738>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9738>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I), Nitro, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_9738>. | **Token:** <BB_9738>
**SMILES:** O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
**Molecular Formula:** C11H13ClN2O4S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I), Nitro, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_9739>. | COC1(C(F)(F)F)CC(N)(CO)C1.Cl | |
What is the building block token for the following molecule? | COC1(C(F)(F)F)CC(N)(CO)C1.Cl | <BB_9739> |
What is the molecular formula for <BB_9739>? | The molecular formula for <BB_9739> (COC1(C(F)(F)F)CC(N)(CO)C1.Cl) is C7H13ClF3NO2. | |
Describe the ring structures in building block <BB_9739>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_9739>. | The molecule contains the following groups: Amine, Alcohol, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9739>. | **Token:** <BB_9739>
**SMILES:** COC1(C(F)(F)F)CC(N)(CO)C1.Cl
**Molecular Formula:** C7H13ClF3NO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Amine, Alcohol, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9740>. | CC(C(=O)O)c1ccc(N2CCOCC2)cc1 | |
What is the building block token for the following molecule? | CC(C(=O)O)c1ccc(N2CCOCC2)cc1 | <BB_9740> |
What is the molecular formula for <BB_9740>? | The molecular formula for <BB_9740> (CC(C(=O)O)c1ccc(N2CCOCC2)cc1) is C13H17NO3. | |
Describe the ring structures in building block <BB_9740>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9740>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9740>. | **Token:** <BB_9740>
**SMILES:** CC(C(=O)O)c1ccc(N2CCOCC2)cc1
**Molecular Formula:** C13H17NO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_9741>. | N#C[C@H]1C[C@H](O)[C@@H](CO)O1 | |
What is the building block token for the following molecule? | N#C[C@H]1C[C@H](O)[C@@H](CO)O1 | <BB_9741> |
What is the molecular formula for <BB_9741>? | The molecular formula for <BB_9741> (N#C[C@H]1C[C@H](O)[C@@H](CO)O1) is C6H9NO3. | |
Describe the ring structures in building block <BB_9741>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9741>. | The molecule contains the following groups: Alcohol, Ether, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_9741>. | **Token:** <BB_9741>
**SMILES:** N#C[C@H]1C[C@H](O)[C@@H](CO)O1
**Molecular Formula:** C6H9NO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Alcohol, Ether, Nitrile | |
Provide the SMILES representation for the building block token <BB_9742>. | CN1CCC(F)(CN)CC1.Cl.Cl | |
What is the building block token for the following molecule? | CN1CCC(F)(CN)CC1.Cl.Cl | <BB_9742> |
What is the molecular formula for <BB_9742>? | The molecular formula for <BB_9742> (CN1CCC(F)(CN)CC1.Cl.Cl) is C7H17Cl2FN2. | |
Describe the ring structures in building block <BB_9742>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9742>. | The molecule contains the following groups: Amine, Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9742>. | **Token:** <BB_9742>
**SMILES:** CN1CCC(F)(CN)CC1.Cl.Cl
**Molecular Formula:** C7H17Cl2FN2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9743>. | CC(=O)CCCCC(=O)O | |
What is the building block token for the following molecule? | CC(=O)CCCCC(=O)O | <BB_9743> |
What is the molecular formula for <BB_9743>? | The molecular formula for <BB_9743> (CC(=O)CCCCC(=O)O) is C7H12O3. | |
Describe the ring structures in building block <BB_9743>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9743>. | The molecule contains the following groups: Carboxylic Acid, Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_9743>. | **Token:** <BB_9743>
**SMILES:** CC(=O)CCCCC(=O)O
**Molecular Formula:** C7H12O3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Ketone | |
Provide the SMILES representation for the building block token <BB_9744>. | NCCOP(=O)([O-])OCC(=O)O.[K+] | |
What is the building block token for the following molecule? | NCCOP(=O)([O-])OCC(=O)O.[K+] | <BB_9744> |
What is the molecular formula for <BB_9744>? | The molecular formula for <BB_9744> (NCCOP(=O)([O-])OCC(=O)O.[K+]) is C4H9KNO6P. | |
Describe the ring structures in building block <BB_9744>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9744>. | The molecule contains the following groups: Carboxylic Acid, Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9744>. | **Token:** <BB_9744>
**SMILES:** NCCOP(=O)([O-])OCC(=O)O.[K+]
**Molecular Formula:** C4H9KNO6P
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Amine | |
Provide the SMILES representation for the building block token <BB_9745>. | CC(C)(C)OC(=O)N1CCC(C(=O)O)C2C1C2(F)F | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCC(C(=O)O)C2C1C2(F)F | <BB_9745> |
What is the molecular formula for <BB_9745>? | The molecular formula for <BB_9745> (CC(C)(C)OC(=O)N1CCC(C(=O)O)C2C1C2(F)F) is C12H17F2NO4. | |
Describe the ring structures in building block <BB_9745>. | 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_9745>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9745>. | **Token:** <BB_9745>
**SMILES:** CC(C)(C)OC(=O)N1CCC(C(=O)O)C2C1C2(F)F
**Molecular Formula:** C12H17F2NO4
**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, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9746>. | Cl.Cl.NCc1c(F)ccc(N)c1F | |
What is the building block token for the following molecule? | Cl.Cl.NCc1c(F)ccc(N)c1F | <BB_9746> |
What is the molecular formula for <BB_9746>? | The molecular formula for <BB_9746> (Cl.Cl.NCc1c(F)ccc(N)c1F) is C7H10Cl2F2N2. | |
Describe the ring structures in building block <BB_9746>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9746>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9746>. | **Token:** <BB_9746>
**SMILES:** Cl.Cl.NCc1c(F)ccc(N)c1F
**Molecular Formula:** C7H10Cl2F2N2
**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_9747>. | Cn1cc(CO)ccc1=O | |
What is the building block token for the following molecule? | Cn1cc(CO)ccc1=O | <BB_9747> |
What is the molecular formula for <BB_9747>? | The molecular formula for <BB_9747> (Cn1cc(CO)ccc1=O) is C7H9NO2. | |
Describe the ring structures in building block <BB_9747>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9747>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_9747>. | **Token:** <BB_9747>
**SMILES:** Cn1cc(CO)ccc1=O
**Molecular Formula:** C7H9NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_9748>. | COC(=O)[C@H]1COC(C)(C)O1 | |
What is the building block token for the following molecule? | COC(=O)[C@H]1COC(C)(C)O1 | <BB_9748> |
What is the molecular formula for <BB_9748>? | The molecular formula for <BB_9748> (COC(=O)[C@H]1COC(C)(C)O1) is C7H12O4. | |
Describe the ring structures in building block <BB_9748>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9748>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9748>. | **Token:** <BB_9748>
**SMILES:** COC(=O)[C@H]1COC(C)(C)O1
**Molecular Formula:** C7H12O4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_9749>. | O=CC1=C(c2ccccc2)Nc2ncnn2C1 | |
What is the building block token for the following molecule? | O=CC1=C(c2ccccc2)Nc2ncnn2C1 | <BB_9749> |
What is the molecular formula for <BB_9749>? | The molecular formula for <BB_9749> (O=CC1=C(c2ccccc2)Nc2ncnn2C1) is C12H10N4O. | |
Describe the ring structures in building block <BB_9749>. | The molecule contains 3 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9749>. | The molecule contains the following groups: Secondary Amine, Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_9749>. | **Token:** <BB_9749>
**SMILES:** O=CC1=C(c2ccccc2)Nc2ncnn2C1
**Molecular Formula:** C12H10N4O
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Secondary Amine, Aldehyde |
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