instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_1433>? | The molecular formula for <BB_1433> (CC(C)(C)OC(=O)N1CCC(F)(F)C(C#N)C1) is C11H16F2N2O2. | |
Describe the ring structures in building block <BB_1433>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1433>. | The molecule contains the following groups: Amide, Ether, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1433>. | **Token:** <BB_1433>
**SMILES:** CC(C)(C)OC(=O)N1CCC(F)(F)C(C#N)C1
**Molecular Formula:** C11H16F2N2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amide, Ether, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_1434>. | N#Cc1cc(Cl)ccc1Sc1ccc(N)cc1 | |
What is the building block token for the following molecule? | N#Cc1cc(Cl)ccc1Sc1ccc(N)cc1 | <BB_1434> |
What is the molecular formula for <BB_1434>? | The molecular formula for <BB_1434> (N#Cc1cc(Cl)ccc1Sc1ccc(N)cc1) is C13H9ClN2S. | |
Describe the ring structures in building block <BB_1434>. | 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_1434>. | The molecule contains the following groups: Amine, Sulfide, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1434>. | **Token:** <BB_1434>
**SMILES:** N#Cc1cc(Cl)ccc1Sc1ccc(N)cc1
**Molecular Formula:** C13H9ClN2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Sulfide, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_1435>. | C#Cc1ccc(OCC(F)F)nc1 | |
What is the building block token for the following molecule? | C#Cc1ccc(OCC(F)F)nc1 | <BB_1435> |
What is the molecular formula for <BB_1435>? | The molecular formula for <BB_1435> (C#Cc1ccc(OCC(F)F)nc1) is C9H7F2NO. | |
Describe the ring structures in building block <BB_1435>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1435>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1435>. | **Token:** <BB_1435>
**SMILES:** C#Cc1ccc(OCC(F)F)nc1
**Molecular Formula:** C9H7F2NO
**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_1436>. | C[C@@H](N)C(=O)NC1CCC1.Cl | |
What is the building block token for the following molecule? | C[C@@H](N)C(=O)NC1CCC1.Cl | <BB_1436> |
What is the molecular formula for <BB_1436>? | The molecular formula for <BB_1436> (C[C@@H](N)C(=O)NC1CCC1.Cl) is C7H15ClN2O. | |
Describe the ring structures in building block <BB_1436>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1436>. | The molecule contains the following groups: Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1436>. | **Token:** <BB_1436>
**SMILES:** C[C@@H](N)C(=O)NC1CCC1.Cl
**Molecular Formula:** C7H15ClN2O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1437>. | CCOC(=O)c1[nH]ncc1CCl | |
What is the building block token for the following molecule? | CCOC(=O)c1[nH]ncc1CCl | <BB_1437> |
What is the molecular formula for <BB_1437>? | The molecular formula for <BB_1437> (CCOC(=O)c1[nH]ncc1CCl) is C7H9ClN2O2. | |
Describe the ring structures in building block <BB_1437>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1437>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1437>. | **Token:** <BB_1437>
**SMILES:** CCOC(=O)c1[nH]ncc1CCl
**Molecular Formula:** C7H9ClN2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1438>. | CC(c1ccccc1)N1CCC(N)C1 | |
What is the building block token for the following molecule? | CC(c1ccccc1)N1CCC(N)C1 | <BB_1438> |
What is the molecular formula for <BB_1438>? | The molecular formula for <BB_1438> (CC(c1ccccc1)N1CCC(N)C1) is C12H18N2. | |
Describe the ring structures in building block <BB_1438>. | 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_1438>. | The molecule contains the following groups: Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1438>. | **Token:** <BB_1438>
**SMILES:** CC(c1ccccc1)N1CCC(N)C1
**Molecular Formula:** C12H18N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_1439>. | Cc1cnc2c(c1)NCCO2 | |
What is the building block token for the following molecule? | Cc1cnc2c(c1)NCCO2 | <BB_1439> |
What is the molecular formula for <BB_1439>? | The molecular formula for <BB_1439> (Cc1cnc2c(c1)NCCO2) is C8H10N2O. | |
Describe the ring structures in building block <BB_1439>. | 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_1439>. | The molecule contains the following groups: Secondary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1439>. | **Token:** <BB_1439>
**SMILES:** Cc1cnc2c(c1)NCCO2
**Molecular Formula:** C8H10N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_1440>. | CS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 | |
What is the building block token for the following molecule? | CS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 | <BB_1440> |
What is the molecular formula for <BB_1440>? | The molecular formula for <BB_1440> (CS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1) is C8H6F4O2S. | |
Describe the ring structures in building block <BB_1440>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1440>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1440>. | **Token:** <BB_1440>
**SMILES:** CS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1
**Molecular Formula:** C8H6F4O2S
**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_1441>. | CC(N)c1ccc(Br)cc1 | |
What is the building block token for the following molecule? | CC(N)c1ccc(Br)cc1 | <BB_1441> |
What is the molecular formula for <BB_1441>? | The molecular formula for <BB_1441> (CC(N)c1ccc(Br)cc1) is C8H10BrN. | |
Describe the ring structures in building block <BB_1441>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1441>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1441>. | **Token:** <BB_1441>
**SMILES:** CC(N)c1ccc(Br)cc1
**Molecular Formula:** C8H10BrN
**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_1442>. | CN(CC(=O)O)CC(C)(C)C.Cl | |
What is the building block token for the following molecule? | CN(CC(=O)O)CC(C)(C)C.Cl | <BB_1442> |
What is the molecular formula for <BB_1442>? | The molecular formula for <BB_1442> (CN(CC(=O)O)CC(C)(C)C.Cl) is C8H18ClNO2. | |
Describe the ring structures in building block <BB_1442>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1442>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1442>. | **Token:** <BB_1442>
**SMILES:** CN(CC(=O)O)CC(C)(C)C.Cl
**Molecular Formula:** C8H18ClNO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1443>. | CC1(Nc2ccccc2N)CCCC1 | |
What is the building block token for the following molecule? | CC1(Nc2ccccc2N)CCCC1 | <BB_1443> |
What is the molecular formula for <BB_1443>? | The molecular formula for <BB_1443> (CC1(Nc2ccccc2N)CCCC1) is C12H18N2. | |
Describe the ring structures in building block <BB_1443>. | 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_1443>. | The molecule contains the following groups: Amine, Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1443>. | **Token:** <BB_1443>
**SMILES:** CC1(Nc2ccccc2N)CCCC1
**Molecular Formula:** C12H18N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine, Secondary Amine | |
Provide the SMILES representation for the building block token <BB_1444>. | NCC1CCCN(S(=O)(=O)c2cn[nH]c2)C1 | |
What is the building block token for the following molecule? | NCC1CCCN(S(=O)(=O)c2cn[nH]c2)C1 | <BB_1444> |
What is the molecular formula for <BB_1444>? | The molecular formula for <BB_1444> (NCC1CCCN(S(=O)(=O)c2cn[nH]c2)C1) is C9H16N4O2S. | |
Describe the ring structures in building block <BB_1444>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1444>. | The molecule contains the following groups: Amine, Tertiary Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_1444>. | **Token:** <BB_1444>
**SMILES:** NCC1CCCN(S(=O)(=O)c2cn[nH]c2)C1
**Molecular Formula:** C9H16N4O2S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine, Tertiary Amine, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_1445>. | Sc1nc(-c2ccccc2Cl)nc2ccccc12 | |
What is the building block token for the following molecule? | Sc1nc(-c2ccccc2Cl)nc2ccccc12 | <BB_1445> |
What is the molecular formula for <BB_1445>? | The molecular formula for <BB_1445> (Sc1nc(-c2ccccc2Cl)nc2ccccc12) is C14H9ClN2S. | |
Describe the ring structures in building block <BB_1445>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1445>. | The molecule contains the following groups: Thiol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1445>. | **Token:** <BB_1445>
**SMILES:** Sc1nc(-c2ccccc2Cl)nc2ccccc12
**Molecular Formula:** C14H9ClN2S
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Thiol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1446>. | Cc1c(Cl)c(C(F)F)nn1CC(=O)O | |
What is the building block token for the following molecule? | Cc1c(Cl)c(C(F)F)nn1CC(=O)O | <BB_1446> |
What is the molecular formula for <BB_1446>? | The molecular formula for <BB_1446> (Cc1c(Cl)c(C(F)F)nn1CC(=O)O) is C7H7ClF2N2O2. | |
Describe the ring structures in building block <BB_1446>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1446>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1446>. | **Token:** <BB_1446>
**SMILES:** Cc1c(Cl)c(C(F)F)nn1CC(=O)O
**Molecular Formula:** C7H7ClF2N2O2
**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_1447>. | O=C(O)C1CCc2nnc(-c3ccc(O)cc3)n2C1 | |
What is the building block token for the following molecule? | O=C(O)C1CCc2nnc(-c3ccc(O)cc3)n2C1 | <BB_1447> |
What is the molecular formula for <BB_1447>? | The molecular formula for <BB_1447> (O=C(O)C1CCc2nnc(-c3ccc(O)cc3)n2C1) is C13H13N3O3. | |
Describe the ring structures in building block <BB_1447>. | 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_1447>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_1447>. | **Token:** <BB_1447>
**SMILES:** O=C(O)C1CCc2nnc(-c3ccc(O)cc3)n2C1
**Molecular Formula:** C13H13N3O3
**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:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_1448>. | CN1C(=O)C[C@H](N)[C@H]1c1ccc(F)c(F)c1.Cl | |
What is the building block token for the following molecule? | CN1C(=O)C[C@H](N)[C@H]1c1ccc(F)c(F)c1.Cl | <BB_1448> |
What is the molecular formula for <BB_1448>? | The molecular formula for <BB_1448> (CN1C(=O)C[C@H](N)[C@H]1c1ccc(F)c(F)c1.Cl) is C11H13ClF2N2O. | |
Describe the ring structures in building block <BB_1448>. | 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_1448>. | The molecule contains the following groups: Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1448>. | **Token:** <BB_1448>
**SMILES:** CN1C(=O)C[C@H](N)[C@H]1c1ccc(F)c(F)c1.Cl
**Molecular Formula:** C11H13ClF2N2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, 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_1449>. | Cc1cc(Br)ccc1C(C)O | |
What is the building block token for the following molecule? | Cc1cc(Br)ccc1C(C)O | <BB_1449> |
What is the molecular formula for <BB_1449>? | The molecular formula for <BB_1449> (Cc1cc(Br)ccc1C(C)O) is C9H11BrO. | |
Describe the ring structures in building block <BB_1449>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1449>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1449>. | **Token:** <BB_1449>
**SMILES:** Cc1cc(Br)ccc1C(C)O
**Molecular Formula:** C9H11BrO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) |
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