instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_1250>. | CC(Cl)C(=O)NC12CC3CC(CC(C3)C1)C2 | |
What is the building block token for the following molecule? | CC(Cl)C(=O)NC12CC3CC(CC(C3)C1)C2 | <BB_1250> |
What is the molecular formula for <BB_1250>? | The molecular formula for <BB_1250> (CC(Cl)C(=O)NC12CC3CC(CC(C3)C1)C2) is C13H20ClNO. | |
Describe the ring structures in building block <BB_1250>. | The molecule contains 4 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1250>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1250>. | **Token:** <BB_1250>
**SMILES:** CC(Cl)C(=O)NC12CC3CC(CC(C3)C1)C2
**Molecular Formula:** C13H20ClNO
**Ring System:** The molecule contains 4 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1251>. | COC(=O)C1CCc2c(Br)cccc2C1 | |
What is the building block token for the following molecule? | COC(=O)C1CCc2c(Br)cccc2C1 | <BB_1251> |
What is the molecular formula for <BB_1251>? | The molecular formula for <BB_1251> (COC(=O)C1CCc2c(Br)cccc2C1) is C12H13BrO2. | |
Describe the ring structures in building block <BB_1251>. | 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_1251>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1251>. | **Token:** <BB_1251>
**SMILES:** COC(=O)C1CCc2c(Br)cccc2C1
**Molecular Formula:** C12H13BrO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, 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_1252>. | CCOc1ccc(CC2CNC2)cc1.Cl | |
What is the building block token for the following molecule? | CCOc1ccc(CC2CNC2)cc1.Cl | <BB_1252> |
What is the molecular formula for <BB_1252>? | The molecular formula for <BB_1252> (CCOc1ccc(CC2CNC2)cc1.Cl) is C12H18ClNO. | |
Describe the ring structures in building block <BB_1252>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1252>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1252>. | **Token:** <BB_1252>
**SMILES:** CCOc1ccc(CC2CNC2)cc1.Cl
**Molecular Formula:** C12H18ClNO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1253>. | O=C(O)C1CCOC12CCC2 | |
What is the building block token for the following molecule? | O=C(O)C1CCOC12CCC2 | <BB_1253> |
What is the molecular formula for <BB_1253>? | The molecular formula for <BB_1253> (O=C(O)C1CCOC12CCC2) is C8H12O3. | |
Describe the ring structures in building block <BB_1253>. | 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_1253>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1253>. | **Token:** <BB_1253>
**SMILES:** O=C(O)C1CCOC12CCC2
**Molecular Formula:** C8H12O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_1254>. | Cl.Cl.Nc1ccc(CN2CCCCC2=O)cc1 | |
What is the building block token for the following molecule? | Cl.Cl.Nc1ccc(CN2CCCCC2=O)cc1 | <BB_1254> |
What is the molecular formula for <BB_1254>? | The molecular formula for <BB_1254> (Cl.Cl.Nc1ccc(CN2CCCCC2=O)cc1) is C12H18Cl2N2O. | |
Describe the ring structures in building block <BB_1254>. | 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_1254>. | The molecule contains the following groups: Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1254>. | **Token:** <BB_1254>
**SMILES:** Cl.Cl.Nc1ccc(CN2CCCCC2=O)cc1
**Molecular Formula:** C12H18Cl2N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1255>. | COc1ccc2c(c1)NC(=O)C2=O | |
What is the building block token for the following molecule? | COc1ccc2c(c1)NC(=O)C2=O | <BB_1255> |
What is the molecular formula for <BB_1255>? | The molecular formula for <BB_1255> (COc1ccc2c(c1)NC(=O)C2=O) is C9H7NO3. | |
Describe the ring structures in building block <BB_1255>. | 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_1255>. | The molecule contains the following groups: Amide, Ketone, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1255>. | **Token:** <BB_1255>
**SMILES:** COc1ccc2c(c1)NC(=O)C2=O
**Molecular Formula:** C9H7NO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amide, Ketone, Ether | |
Provide the SMILES representation for the building block token <BB_1256>. | O=S1(=O)CCCC(O)C1 | |
What is the building block token for the following molecule? | O=S1(=O)CCCC(O)C1 | <BB_1256> |
What is the molecular formula for <BB_1256>? | The molecular formula for <BB_1256> (O=S1(=O)CCCC(O)C1) is C5H10O3S. | |
Describe the ring structures in building block <BB_1256>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1256>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_1256>. | **Token:** <BB_1256>
**SMILES:** O=S1(=O)CCCC(O)C1
**Molecular Formula:** C5H10O3S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_1257>. | COc1ccc2c(c1)CC(C)N2 | |
What is the building block token for the following molecule? | COc1ccc2c(c1)CC(C)N2 | <BB_1257> |
What is the molecular formula for <BB_1257>? | The molecular formula for <BB_1257> (COc1ccc2c(c1)CC(C)N2) is C10H13NO. | |
Describe the ring structures in building block <BB_1257>. | 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_1257>. | The molecule contains the following groups: Secondary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1257>. | **Token:** <BB_1257>
**SMILES:** COc1ccc2c(c1)CC(C)N2
**Molecular Formula:** C10H13NO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_1258>. | O=C(O)CC1COCc2ccccc21 | |
What is the building block token for the following molecule? | O=C(O)CC1COCc2ccccc21 | <BB_1258> |
What is the molecular formula for <BB_1258>? | The molecular formula for <BB_1258> (O=C(O)CC1COCc2ccccc21) is C11H12O3. | |
Describe the ring structures in building block <BB_1258>. | 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_1258>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1258>. | **Token:** <BB_1258>
**SMILES:** O=C(O)CC1COCc2ccccc21
**Molecular Formula:** C11H12O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_1259>. | COC(=O)C1(CS(=O)(=O)Cl)CC(F)(F)C1 | |
What is the building block token for the following molecule? | COC(=O)C1(CS(=O)(=O)Cl)CC(F)(F)C1 | <BB_1259> |
What is the molecular formula for <BB_1259>? | The molecular formula for <BB_1259> (COC(=O)C1(CS(=O)(=O)Cl)CC(F)(F)C1) is C7H9ClF2O4S. | |
Describe the ring structures in building block <BB_1259>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1259>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1259>. | **Token:** <BB_1259>
**SMILES:** COC(=O)C1(CS(=O)(=O)Cl)CC(F)(F)C1
**Molecular Formula:** C7H9ClF2O4S
**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_1260>. | CCOC(=O)C1(C(F)(F)F)CC(C)(C)C1 | |
What is the building block token for the following molecule? | CCOC(=O)C1(C(F)(F)F)CC(C)(C)C1 | <BB_1260> |
What is the molecular formula for <BB_1260>? | The molecular formula for <BB_1260> (CCOC(=O)C1(C(F)(F)F)CC(C)(C)C1) is C10H15F3O2. | |
Describe the ring structures in building block <BB_1260>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1260>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1260>. | **Token:** <BB_1260>
**SMILES:** CCOC(=O)C1(C(F)(F)F)CC(C)(C)C1
**Molecular Formula:** C10H15F3O2
**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_1261>. | O=C1CCCCC1c1ccc(C(F)(F)F)cc1 | |
What is the building block token for the following molecule? | O=C1CCCCC1c1ccc(C(F)(F)F)cc1 | <BB_1261> |
What is the molecular formula for <BB_1261>? | The molecular formula for <BB_1261> (O=C1CCCCC1c1ccc(C(F)(F)F)cc1) is C13H13F3O. | |
Describe the ring structures in building block <BB_1261>. | 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_1261>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1261>. | **Token:** <BB_1261>
**SMILES:** O=C1CCCCC1c1ccc(C(F)(F)F)cc1
**Molecular Formula:** C13H13F3O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1262>. | COC(=O)CN(CC(=O)OC)CC(=O)OC(C)(C)C | |
What is the building block token for the following molecule? | COC(=O)CN(CC(=O)OC)CC(=O)OC(C)(C)C | <BB_1262> |
What is the molecular formula for <BB_1262>? | The molecular formula for <BB_1262> (COC(=O)CN(CC(=O)OC)CC(=O)OC(C)(C)C) is C12H21NO6. | |
Describe the ring structures in building block <BB_1262>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1262>. | The molecule contains the following groups: Tertiary Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1262>. | **Token:** <BB_1262>
**SMILES:** COC(=O)CN(CC(=O)OC)CC(=O)OC(C)(C)C
**Molecular Formula:** C12H21NO6
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Tertiary Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_1263>. | Cc1cc(C)c(S(N)(=O)=O)c(C)c1 | |
What is the building block token for the following molecule? | Cc1cc(C)c(S(N)(=O)=O)c(C)c1 | <BB_1263> |
What is the molecular formula for <BB_1263>? | The molecular formula for <BB_1263> (Cc1cc(C)c(S(N)(=O)=O)c(C)c1) is C9H13NO2S. | |
Describe the ring structures in building block <BB_1263>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1263>. | The molecule contains the following groups: Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_1263>. | **Token:** <BB_1263>
**SMILES:** Cc1cc(C)c(S(N)(=O)=O)c(C)c1
**Molecular Formula:** C9H13NO2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_1264>. | O=C(O)C1CCCN(S(=O)(=O)C(F)F)C1 | |
What is the building block token for the following molecule? | O=C(O)C1CCCN(S(=O)(=O)C(F)F)C1 | <BB_1264> |
What is the molecular formula for <BB_1264>? | The molecular formula for <BB_1264> (O=C(O)C1CCCN(S(=O)(=O)C(F)F)C1) is C7H11F2NO4S. | |
Describe the ring structures in building block <BB_1264>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1264>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_1264>. | **Token:** <BB_1264>
**SMILES:** O=C(O)C1CCCN(S(=O)(=O)C(F)F)C1
**Molecular Formula:** C7H11F2NO4S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_1265>. | CSc1ncncn1 | |
What is the building block token for the following molecule? | CSc1ncncn1 | <BB_1265> |
What is the molecular formula for <BB_1265>? | The molecular formula for <BB_1265> (CSc1ncncn1) is C4H5N3S. | |
Describe the ring structures in building block <BB_1265>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1265>. | The molecule contains the following groups: Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_1265>. | **Token:** <BB_1265>
**SMILES:** CSc1ncncn1
**Molecular Formula:** C4H5N3S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Sulfide | |
Provide the SMILES representation for the building block token <BB_1266>. | CSCCC(NC(=O)OC(C)(C)C)C(=O)O | |
What is the building block token for the following molecule? | CSCCC(NC(=O)OC(C)(C)C)C(=O)O | <BB_1266> |
What is the molecular formula for <BB_1266>? | The molecular formula for <BB_1266> (CSCCC(NC(=O)OC(C)(C)C)C(=O)O) is C10H19NO4S. | |
Describe the ring structures in building block <BB_1266>. | The molecule is acyclic (contains no rings). |
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