instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_1300>. | CN1CCN(c2nc3c(c(=O)[nH]2)CCCN3)CC1 | |
What is the building block token for the following molecule? | CN1CCN(c2nc3c(c(=O)[nH]2)CCCN3)CC1 | <BB_1300> |
What is the molecular formula for <BB_1300>? | The molecular formula for <BB_1300> (CN1CCN(c2nc3c(c(=O)[nH]2)CCCN3)CC1) is C12H19N5O. | |
Describe the ring structures in building block <BB_1300>. | The molecule contains 3 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1300>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1300>. | **Token:** <BB_1300>
**SMILES:** CN1CCN(c2nc3c(c(=O)[nH]2)CCCN3)CC1
**Molecular Formula:** C12H19N5O
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_1301>. | Nc1ccc(Cl)cc1N | |
What is the building block token for the following molecule? | Nc1ccc(Cl)cc1N | <BB_1301> |
What is the molecular formula for <BB_1301>? | The molecular formula for <BB_1301> (Nc1ccc(Cl)cc1N) is C6H7ClN2. | |
Describe the ring structures in building block <BB_1301>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1301>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1301>. | **Token:** <BB_1301>
**SMILES:** Nc1ccc(Cl)cc1N
**Molecular Formula:** C6H7ClN2
**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_1302>. | CC(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)O | |
What is the building block token for the following molecule? | CC(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)O | <BB_1302> |
What is the molecular formula for <BB_1302>? | The molecular formula for <BB_1302> (CC(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)O) is C12H13NO4. | |
Describe the ring structures in building block <BB_1302>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1302>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_1302>. | **Token:** <BB_1302>
**SMILES:** CC(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)O
**Molecular Formula:** C12H13NO4
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_1303>. | C=CCC(C)I | |
What is the building block token for the following molecule? | C=CCC(C)I | <BB_1303> |
What is the molecular formula for <BB_1303>? | The molecular formula for <BB_1303> (C=CCC(C)I) is C5H9I. | |
Describe the ring structures in building block <BB_1303>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1303>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1303>. | **Token:** <BB_1303>
**SMILES:** C=CCC(C)I
**Molecular Formula:** C5H9I
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1304>. | CC(C)(C)OC(=O)N1CCC1CN | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCC1CN | <BB_1304> |
What is the molecular formula for <BB_1304>? | The molecular formula for <BB_1304> (CC(C)(C)OC(=O)N1CCC1CN) is C9H18N2O2. | |
Describe the ring structures in building block <BB_1304>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1304>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1304>. | **Token:** <BB_1304>
**SMILES:** CC(C)(C)OC(=O)N1CCC1CN
**Molecular Formula:** C9H18N2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_1305>. | Fc1cccc(F)c1N=C=S | |
What is the building block token for the following molecule? | Fc1cccc(F)c1N=C=S | <BB_1305> |
What is the molecular formula for <BB_1305>? | The molecular formula for <BB_1305> (Fc1cccc(F)c1N=C=S) is C7H3F2NS. | |
Describe the ring structures in building block <BB_1305>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1305>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1305>. | **Token:** <BB_1305>
**SMILES:** Fc1cccc(F)c1N=C=S
**Molecular Formula:** C7H3F2NS
**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_1306>. | Cl.Cn1ccc2c([C@H](N)CO)cccc21 | |
What is the building block token for the following molecule? | Cl.Cn1ccc2c([C@H](N)CO)cccc21 | <BB_1306> |
What is the molecular formula for <BB_1306>? | The molecular formula for <BB_1306> (Cl.Cn1ccc2c([C@H](N)CO)cccc21) is C11H15ClN2O. | |
Describe the ring structures in building block <BB_1306>. | 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_1306>. | The molecule contains the following groups: Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1306>. | **Token:** <BB_1306>
**SMILES:** Cl.Cn1ccc2c([C@H](N)CO)cccc21
**Molecular Formula:** C11H15ClN2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1307>. | Cc1ccc(-c2ccc(N)cc2)cc1 | |
What is the building block token for the following molecule? | Cc1ccc(-c2ccc(N)cc2)cc1 | <BB_1307> |
What is the molecular formula for <BB_1307>? | The molecular formula for <BB_1307> (Cc1ccc(-c2ccc(N)cc2)cc1) is C13H13N. | |
Describe the ring structures in building block <BB_1307>. | 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_1307>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1307>. | **Token:** <BB_1307>
**SMILES:** Cc1ccc(-c2ccc(N)cc2)cc1
**Molecular Formula:** C13H13N
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_1308>. | O=C([O-])C1CC(c2c(F)cccc2F)=NO1.[Na+] | |
What is the building block token for the following molecule? | O=C([O-])C1CC(c2c(F)cccc2F)=NO1.[Na+] | <BB_1308> |
What is the molecular formula for <BB_1308>? | The molecular formula for <BB_1308> (O=C([O-])C1CC(c2c(F)cccc2F)=NO1.[Na+]) is C10H6F2NNaO3. | |
Describe the ring structures in building block <BB_1308>. | 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_1308>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1308>. | **Token:** <BB_1308>
**SMILES:** O=C([O-])C1CC(c2c(F)cccc2F)=NO1.[Na+]
**Molecular Formula:** C10H6F2NNaO3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1309>. | CC(C)(C)OC(=O)N1CCN(CC(=N)NO)CC1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCN(CC(=N)NO)CC1 | <BB_1309> |
What is the molecular formula for <BB_1309>? | The molecular formula for <BB_1309> (CC(C)(C)OC(=O)N1CCN(CC(=N)NO)CC1) is C11H22N4O3. | |
Describe the ring structures in building block <BB_1309>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1309>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1309>. | **Token:** <BB_1309>
**SMILES:** CC(C)(C)OC(=O)N1CCN(CC(=N)NO)CC1
**Molecular Formula:** C11H22N4O3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_1310>. | O=C(O)Cc1cccc(OC(F)F)n1 | |
What is the building block token for the following molecule? | O=C(O)Cc1cccc(OC(F)F)n1 | <BB_1310> |
What is the molecular formula for <BB_1310>? | The molecular formula for <BB_1310> (O=C(O)Cc1cccc(OC(F)F)n1) is C8H7F2NO3. | |
Describe the ring structures in building block <BB_1310>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1310>. | The molecule contains the following groups: Carboxylic Acid, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1310>. | **Token:** <BB_1310>
**SMILES:** O=C(O)Cc1cccc(OC(F)F)n1
**Molecular Formula:** C8H7F2NO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1311>. | N#CCS(=O)(=O)NC1CC1 | |
What is the building block token for the following molecule? | N#CCS(=O)(=O)NC1CC1 | <BB_1311> |
What is the molecular formula for <BB_1311>? | The molecular formula for <BB_1311> (N#CCS(=O)(=O)NC1CC1) is C5H8N2O2S. | |
Describe the ring structures in building block <BB_1311>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_1311>. | The molecule contains the following groups: Secondary Amine, Nitrile, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_1311>. | **Token:** <BB_1311>
**SMILES:** N#CCS(=O)(=O)NC1CC1
**Molecular Formula:** C5H8N2O2S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Secondary Amine, Nitrile, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_1312>. | CCn1c([C@@H]2C[C@H](OC)CN2)n[nH]c1=O | |
What is the building block token for the following molecule? | CCn1c([C@@H]2C[C@H](OC)CN2)n[nH]c1=O | <BB_1312> |
What is the molecular formula for <BB_1312>? | The molecular formula for <BB_1312> (CCn1c([C@@H]2C[C@H](OC)CN2)n[nH]c1=O) is C9H16N4O2. | |
Describe the ring structures in building block <BB_1312>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1312>. | The molecule contains the following groups: Secondary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1312>. | **Token:** <BB_1312>
**SMILES:** CCn1c([C@@H]2C[C@H](OC)CN2)n[nH]c1=O
**Molecular Formula:** C9H16N4O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_1313>. | CN(C)C(OC(C)(C)C)OC(C)(C)C | |
What is the building block token for the following molecule? | CN(C)C(OC(C)(C)C)OC(C)(C)C | <BB_1313> |
What is the molecular formula for <BB_1313>? | The molecular formula for <BB_1313> (CN(C)C(OC(C)(C)C)OC(C)(C)C) is C11H25NO2. | |
Describe the ring structures in building block <BB_1313>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1313>. | The molecule contains the following groups: Tertiary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1313>. | **Token:** <BB_1313>
**SMILES:** CN(C)C(OC(C)(C)C)OC(C)(C)C
**Molecular Formula:** C11H25NO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Tertiary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_1314>. | CC1(Cc2ccccc2Cl)CCCN1.Cl | |
What is the building block token for the following molecule? | CC1(Cc2ccccc2Cl)CCCN1.Cl | <BB_1314> |
What is the molecular formula for <BB_1314>? | The molecular formula for <BB_1314> (CC1(Cc2ccccc2Cl)CCCN1.Cl) is C12H17Cl2N. | |
Describe the ring structures in building block <BB_1314>. | 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_1314>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1314>. | **Token:** <BB_1314>
**SMILES:** CC1(Cc2ccccc2Cl)CCCN1.Cl
**Molecular Formula:** C12H17Cl2N
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1315>. | COC(=O)C(CN)Cc1ccccc1.Cl | |
What is the building block token for the following molecule? | COC(=O)C(CN)Cc1ccccc1.Cl | <BB_1315> |
What is the molecular formula for <BB_1315>? | The molecular formula for <BB_1315> (COC(=O)C(CN)Cc1ccccc1.Cl) is C11H16ClNO2. | |
Describe the ring structures in building block <BB_1315>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1315>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1315>. | **Token:** <BB_1315>
**SMILES:** COC(=O)C(CN)Cc1ccccc1.Cl
**Molecular Formula:** C11H16ClNO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1316>. | Cc1ccc(-c2cc(C(=O)NN)[nH]n2)cc1C | |
What is the building block token for the following molecule? | Cc1ccc(-c2cc(C(=O)NN)[nH]n2)cc1C | <BB_1316> |
What is the molecular formula for <BB_1316>? | The molecular formula for <BB_1316> (Cc1ccc(-c2cc(C(=O)NN)[nH]n2)cc1C) is C12H14N4O. | |
Describe the ring structures in building block <BB_1316>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5. |
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