instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_9466>. | The molecule contains the following groups: Tertiary Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9466>. | **Token:** <BB_9466>
**SMILES:** CC(C)(C)OC(=O)N1CCN(S(C)(=N)=O)CC1
**Molecular Formula:** C10H21N3O3S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_9467>. | C=C(C)C(=O)OC(C)C | |
What is the building block token for the following molecule? | C=C(C)C(=O)OC(C)C | <BB_9467> |
What is the molecular formula for <BB_9467>? | The molecular formula for <BB_9467> (C=C(C)C(=O)OC(C)C) is C7H12O2. | |
Describe the ring structures in building block <BB_9467>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9467>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9467>. | **Token:** <BB_9467>
**SMILES:** C=C(C)C(=O)OC(C)C
**Molecular Formula:** C7H12O2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_9468>. | CS(=O)(=O)NCCc1ccc(C(=O)O)cc1 | |
What is the building block token for the following molecule? | CS(=O)(=O)NCCc1ccc(C(=O)O)cc1 | <BB_9468> |
What is the molecular formula for <BB_9468>? | The molecular formula for <BB_9468> (CS(=O)(=O)NCCc1ccc(C(=O)O)cc1) is C10H13NO4S. | |
Describe the ring structures in building block <BB_9468>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9468>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_9468>. | **Token:** <BB_9468>
**SMILES:** CS(=O)(=O)NCCc1ccc(C(=O)O)cc1
**Molecular Formula:** C10H13NO4S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_9469>. | c1c[nH]c(C2CCCNC2)n1 | |
What is the building block token for the following molecule? | c1c[nH]c(C2CCCNC2)n1 | <BB_9469> |
What is the molecular formula for <BB_9469>? | The molecular formula for <BB_9469> (c1c[nH]c(C2CCCNC2)n1) is C8H13N3. | |
Describe the ring structures in building block <BB_9469>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9469>. | The molecule contains the following groups: Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9469>. | **Token:** <BB_9469>
**SMILES:** c1c[nH]c(C2CCCNC2)n1
**Molecular Formula:** C8H13N3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine | |
Provide the SMILES representation for the building block token <BB_9470>. | N#CCCn1ccc(Br)n1 | |
What is the building block token for the following molecule? | N#CCCn1ccc(Br)n1 | <BB_9470> |
What is the molecular formula for <BB_9470>? | The molecular formula for <BB_9470> (N#CCCn1ccc(Br)n1) is C6H6BrN3. | |
Describe the ring structures in building block <BB_9470>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9470>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_9470>. | **Token:** <BB_9470>
**SMILES:** N#CCCn1ccc(Br)n1
**Molecular Formula:** C6H6BrN3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_9471>. | CC/C=C\CN.Cl | |
What is the building block token for the following molecule? | CC/C=C\CN.Cl | <BB_9471> |
What is the molecular formula for <BB_9471>? | The molecular formula for <BB_9471> (CC/C=C\CN.Cl) is C5H12ClN. | |
Describe the ring structures in building block <BB_9471>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9471>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9471>. | **Token:** <BB_9471>
**SMILES:** CC/C=C\CN.Cl
**Molecular Formula:** C5H12ClN
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9472>. | NS(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2 | |
What is the building block token for the following molecule? | NS(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2 | <BB_9472> |
What is the molecular formula for <BB_9472>? | The molecular formula for <BB_9472> (NS(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2) is C8H9NO4S2. | |
Describe the ring structures in building block <BB_9472>. | 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_9472>. | The molecule contains the following groups: Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_9472>. | **Token:** <BB_9472>
**SMILES:** NS(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2
**Molecular Formula:** C8H9NO4S2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_9473>. | COC(C)CO | |
What is the building block token for the following molecule? | COC(C)CO | <BB_9473> |
What is the molecular formula for <BB_9473>? | The molecular formula for <BB_9473> (COC(C)CO) is C4H10O2. | |
Describe the ring structures in building block <BB_9473>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9473>. | The molecule contains the following groups: Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9473>. | **Token:** <BB_9473>
**SMILES:** COC(C)CO
**Molecular Formula:** C4H10O2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_9474>. | CC(c1ccccc1)C(O)CN | |
What is the building block token for the following molecule? | CC(c1ccccc1)C(O)CN | <BB_9474> |
What is the molecular formula for <BB_9474>? | The molecular formula for <BB_9474> (CC(c1ccccc1)C(O)CN) is C10H15NO. | |
Describe the ring structures in building block <BB_9474>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9474>. | The molecule contains the following groups: Amine, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_9474>. | **Token:** <BB_9474>
**SMILES:** CC(c1ccccc1)C(O)CN
**Molecular Formula:** C10H15NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Alcohol | |
Provide the SMILES representation for the building block token <BB_9475>. | CCOC(=O)c1ccc(Br)c(Cl)c1 | |
What is the building block token for the following molecule? | CCOC(=O)c1ccc(Br)c(Cl)c1 | <BB_9475> |
What is the molecular formula for <BB_9475>? | The molecular formula for <BB_9475> (CCOC(=O)c1ccc(Br)c(Cl)c1) is C9H8BrClO2. | |
Describe the ring structures in building block <BB_9475>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9475>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9475>. | **Token:** <BB_9475>
**SMILES:** CCOC(=O)c1ccc(Br)c(Cl)c1
**Molecular Formula:** C9H8BrClO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9476>. | Cc1nc(-c2cccc(N)c2)[nH]c1C | |
What is the building block token for the following molecule? | Cc1nc(-c2cccc(N)c2)[nH]c1C | <BB_9476> |
What is the molecular formula for <BB_9476>? | The molecular formula for <BB_9476> (Cc1nc(-c2cccc(N)c2)[nH]c1C) is C11H13N3. | |
Describe the ring structures in building block <BB_9476>. | 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_9476>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9476>. | **Token:** <BB_9476>
**SMILES:** Cc1nc(-c2cccc(N)c2)[nH]c1C
**Molecular Formula:** C11H13N3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_9477>. | COC(=O)c1ccc2c(c1)CC(O)CN2.Cl | |
What is the building block token for the following molecule? | COC(=O)c1ccc2c(c1)CC(O)CN2.Cl | <BB_9477> |
What is the molecular formula for <BB_9477>? | The molecular formula for <BB_9477> (COC(=O)c1ccc2c(c1)CC(O)CN2.Cl) is C11H14ClNO3. | |
Describe the ring structures in building block <BB_9477>. | 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_9477>. | The molecule contains the following groups: Secondary Amine, Ester, Alcohol, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9477>. | **Token:** <BB_9477>
**SMILES:** COC(=O)c1ccc2c(c1)CC(O)CN2.Cl
**Molecular Formula:** C11H14ClNO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ester, Alcohol, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9478>. | CN(C)C(=O)CNCC1CC1 | |
What is the building block token for the following molecule? | CN(C)C(=O)CNCC1CC1 | <BB_9478> |
What is the molecular formula for <BB_9478>? | The molecular formula for <BB_9478> (CN(C)C(=O)CNCC1CC1) is C8H16N2O. | |
Describe the ring structures in building block <BB_9478>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_9478>. | The molecule contains the following groups: Secondary Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9478>. | **Token:** <BB_9478>
**SMILES:** CN(C)C(=O)CNCC1CC1
**Molecular Formula:** C8H16N2O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Secondary Amine, Amide | |
Provide the SMILES representation for the building block token <BB_9479>. | O=C(O)c1sc([N+](=O)[O-])cc1Cl | |
What is the building block token for the following molecule? | O=C(O)c1sc([N+](=O)[O-])cc1Cl | <BB_9479> |
What is the molecular formula for <BB_9479>? | The molecular formula for <BB_9479> (O=C(O)c1sc([N+](=O)[O-])cc1Cl) is C5H2ClNO4S. | |
Describe the ring structures in building block <BB_9479>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9479>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_9479>. | **Token:** <BB_9479>
**SMILES:** O=C(O)c1sc([N+](=O)[O-])cc1Cl
**Molecular Formula:** C5H2ClNO4S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_9480>. | Cl.Cl.Cl.c1n[nH]cc1N1CCCNCC1 | |
What is the building block token for the following molecule? | Cl.Cl.Cl.c1n[nH]cc1N1CCCNCC1 | <BB_9480> |
What is the molecular formula for <BB_9480>? | The molecular formula for <BB_9480> (Cl.Cl.Cl.c1n[nH]cc1N1CCCNCC1) is C8H17Cl3N4. | |
Describe the ring structures in building block <BB_9480>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 7. | |
List the primary functional groups present in <BB_9480>. | 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_9480>. | **Token:** <BB_9480>
**SMILES:** Cl.Cl.Cl.c1n[nH]cc1N1CCCNCC1
**Molecular Formula:** C8H17Cl3N4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 7.
**Functional Groups:** Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9481>. | Cc1c(N)nn(C)c1Br | |
What is the building block token for the following molecule? | Cc1c(N)nn(C)c1Br | <BB_9481> |
What is the molecular formula for <BB_9481>? | The molecular formula for <BB_9481> (Cc1c(N)nn(C)c1Br) is C5H8BrN3. | |
Describe the ring structures in building block <BB_9481>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9481>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9481>. | **Token:** <BB_9481>
**SMILES:** Cc1c(N)nn(C)c1Br
**Molecular Formula:** C5H8BrN3
**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_9482>. | CC(C)(C)n1ncnc1C=O | |
What is the building block token for the following molecule? | CC(C)(C)n1ncnc1C=O | <BB_9482> |
What is the molecular formula for <BB_9482>? | The molecular formula for <BB_9482> (CC(C)(C)n1ncnc1C=O) is C7H11N3O. | |
Describe the ring structures in building block <BB_9482>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9482>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_9482>. | **Token:** <BB_9482>
**SMILES:** CC(C)(C)n1ncnc1C=O
**Molecular Formula:** C7H11N3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_9483>. | Nc1nccc(Cl)c1S(=O)(=O)F | |
What is the building block token for the following molecule? | Nc1nccc(Cl)c1S(=O)(=O)F | <BB_9483> |
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