instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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What is the molecular formula for <BB_1233>? | The molecular formula for <BB_1233> (CS(=O)(=O)c1ccc(C=O)o1) is C6H6O4S. | |
Describe the ring structures in building block <BB_1233>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1233>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_1233>. | **Token:** <BB_1233>
**SMILES:** CS(=O)(=O)c1ccc(C=O)o1
**Molecular Formula:** C6H6O4S
**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_1234>. | Nc1cc(Oc2ccc(F)c(Cl)c2)cc([N+](=O)[O-])c1 | |
What is the building block token for the following molecule? | Nc1cc(Oc2ccc(F)c(Cl)c2)cc([N+](=O)[O-])c1 | <BB_1234> |
What is the molecular formula for <BB_1234>? | The molecular formula for <BB_1234> (Nc1cc(Oc2ccc(F)c(Cl)c2)cc([N+](=O)[O-])c1) is C12H8ClFN2O3. | |
Describe the ring structures in building block <BB_1234>. | 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_1234>. | The molecule contains the following groups: Amine, Tertiary Amine, Ether, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_1234>. | **Token:** <BB_1234>
**SMILES:** Nc1cc(Oc2ccc(F)c(Cl)c2)cc([N+](=O)[O-])c1
**Molecular Formula:** C12H8ClFN2O3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Ether, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_1235>. | CCC1(CS)COC1 | |
What is the building block token for the following molecule? | CCC1(CS)COC1 | <BB_1235> |
What is the molecular formula for <BB_1235>? | The molecular formula for <BB_1235> (CCC1(CS)COC1) is C6H12OS. | |
Describe the ring structures in building block <BB_1235>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1235>. | The molecule contains the following groups: Ether, Thiol. | |
Provide a comprehensive chemical profile for the building block <BB_1235>. | **Token:** <BB_1235>
**SMILES:** CCC1(CS)COC1
**Molecular Formula:** C6H12OS
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Ether, Thiol | |
Provide the SMILES representation for the building block token <BB_1236>. | OC1c2ccccc2CC1F | |
What is the building block token for the following molecule? | OC1c2ccccc2CC1F | <BB_1236> |
What is the molecular formula for <BB_1236>? | The molecular formula for <BB_1236> (OC1c2ccccc2CC1F) is C9H9FO. | |
Describe the ring structures in building block <BB_1236>. | 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_1236>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1236>. | **Token:** <BB_1236>
**SMILES:** OC1c2ccccc2CC1F
**Molecular Formula:** C9H9FO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1237>. | COC(=O)C1CCNC(=O)C1 | |
What is the building block token for the following molecule? | COC(=O)C1CCNC(=O)C1 | <BB_1237> |
What is the molecular formula for <BB_1237>? | The molecular formula for <BB_1237> (COC(=O)C1CCNC(=O)C1) is C7H11NO3. | |
Describe the ring structures in building block <BB_1237>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1237>. | The molecule contains the following groups: Amide, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1237>. | **Token:** <BB_1237>
**SMILES:** COC(=O)C1CCNC(=O)C1
**Molecular Formula:** C7H11NO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amide, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_1238>. | N#CCc1sccc1Br | |
What is the building block token for the following molecule? | N#CCc1sccc1Br | <BB_1238> |
What is the molecular formula for <BB_1238>? | The molecular formula for <BB_1238> (N#CCc1sccc1Br) is C6H4BrNS. | |
Describe the ring structures in building block <BB_1238>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1238>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1238>. | **Token:** <BB_1238>
**SMILES:** N#CCc1sccc1Br
**Molecular Formula:** C6H4BrNS
**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_1239>. | Nc1cc2ccccc2c(=O)[nH]1 | |
What is the building block token for the following molecule? | Nc1cc2ccccc2c(=O)[nH]1 | <BB_1239> |
What is the molecular formula for <BB_1239>? | The molecular formula for <BB_1239> (Nc1cc2ccccc2c(=O)[nH]1) is C9H8N2O. | |
Describe the ring structures in building block <BB_1239>. | 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_1239>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1239>. | **Token:** <BB_1239>
**SMILES:** Nc1cc2ccccc2c(=O)[nH]1
**Molecular Formula:** C9H8N2O
**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_1240>. | CCCNCCN1CCCCCC1 | |
What is the building block token for the following molecule? | CCCNCCN1CCCCCC1 | <BB_1240> |
What is the molecular formula for <BB_1240>? | The molecular formula for <BB_1240> (CCCNCCN1CCCCCC1) is C11H24N2. | |
Describe the ring structures in building block <BB_1240>. | The molecule contains 1 ring(s): an aliphatic ring of size 7. | |
List the primary functional groups present in <BB_1240>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1240>. | **Token:** <BB_1240>
**SMILES:** CCCNCCN1CCCCCC1
**Molecular Formula:** C11H24N2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 7.
**Functional Groups:** Secondary Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_1241>. | Cc1nn(-c2ccc(F)cc2)cc1C(=O)O | |
What is the building block token for the following molecule? | Cc1nn(-c2ccc(F)cc2)cc1C(=O)O | <BB_1241> |
What is the molecular formula for <BB_1241>? | The molecular formula for <BB_1241> (Cc1nn(-c2ccc(F)cc2)cc1C(=O)O) is C11H9FN2O2. | |
Describe the ring structures in building block <BB_1241>. | 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_1241>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1241>. | **Token:** <BB_1241>
**SMILES:** Cc1nn(-c2ccc(F)cc2)cc1C(=O)O
**Molecular Formula:** C11H9FN2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1242>. | COc1nc(OC)c(C=O)cc1Br | |
What is the building block token for the following molecule? | COc1nc(OC)c(C=O)cc1Br | <BB_1242> |
What is the molecular formula for <BB_1242>? | The molecular formula for <BB_1242> (COc1nc(OC)c(C=O)cc1Br) is C8H8BrNO3. | |
Describe the ring structures in building block <BB_1242>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1242>. | The molecule contains the following groups: Aldehyde, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1242>. | **Token:** <BB_1242>
**SMILES:** COc1nc(OC)c(C=O)cc1Br
**Molecular Formula:** C8H8BrNO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1243>. | COc1ccc(OCC(=O)O)cc1 | |
What is the building block token for the following molecule? | COc1ccc(OCC(=O)O)cc1 | <BB_1243> |
What is the molecular formula for <BB_1243>? | The molecular formula for <BB_1243> (COc1ccc(OCC(=O)O)cc1) is C9H10O4. | |
Describe the ring structures in building block <BB_1243>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1243>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1243>. | **Token:** <BB_1243>
**SMILES:** COc1ccc(OCC(=O)O)cc1
**Molecular Formula:** C9H10O4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_1244>. | COC(=O)c1cn(-c2cccc(N)c2)nn1 | |
What is the building block token for the following molecule? | COC(=O)c1cn(-c2cccc(N)c2)nn1 | <BB_1244> |
What is the molecular formula for <BB_1244>? | The molecular formula for <BB_1244> (COC(=O)c1cn(-c2cccc(N)c2)nn1) is C10H10N4O2. | |
Describe the ring structures in building block <BB_1244>. | 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_1244>. | The molecule contains the following groups: Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1244>. | **Token:** <BB_1244>
**SMILES:** COC(=O)c1cn(-c2cccc(N)c2)nn1
**Molecular Formula:** C10H10N4O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_1245>. | Cl.O=C(O)C12CCCC(CNC1)C2 | |
What is the building block token for the following molecule? | Cl.O=C(O)C12CCCC(CNC1)C2 | <BB_1245> |
What is the molecular formula for <BB_1245>? | The molecular formula for <BB_1245> (Cl.O=C(O)C12CCCC(CNC1)C2) is C9H16ClNO2. | |
Describe the ring structures in building block <BB_1245>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1245>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1245>. | **Token:** <BB_1245>
**SMILES:** Cl.O=C(O)C12CCCC(CNC1)C2
**Molecular Formula:** C9H16ClNO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1246>. | CCCCS(=O)(=O)CC#N | |
What is the building block token for the following molecule? | CCCCS(=O)(=O)CC#N | <BB_1246> |
What is the molecular formula for <BB_1246>? | The molecular formula for <BB_1246> (CCCCS(=O)(=O)CC#N) is C6H11NO2S. | |
Describe the ring structures in building block <BB_1246>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1246>. | The molecule contains the following groups: Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1246>. | **Token:** <BB_1246>
**SMILES:** CCCCS(=O)(=O)CC#N
**Molecular Formula:** C6H11NO2S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Nitrile | |
Provide the SMILES representation for the building block token <BB_1247>. | CCOc1c(Cl)cc(C=O)cc1Cl | |
What is the building block token for the following molecule? | CCOc1c(Cl)cc(C=O)cc1Cl | <BB_1247> |
What is the molecular formula for <BB_1247>? | The molecular formula for <BB_1247> (CCOc1c(Cl)cc(C=O)cc1Cl) is C9H8Cl2O2. | |
Describe the ring structures in building block <BB_1247>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1247>. | The molecule contains the following groups: Aldehyde, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1247>. | **Token:** <BB_1247>
**SMILES:** CCOc1c(Cl)cc(C=O)cc1Cl
**Molecular Formula:** C9H8Cl2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1248>. | O=C1CCCCCc2ccccc21 | |
What is the building block token for the following molecule? | O=C1CCCCCc2ccccc21 | <BB_1248> |
What is the molecular formula for <BB_1248>? | The molecular formula for <BB_1248> (O=C1CCCCCc2ccccc21) is C12H14O. | |
Describe the ring structures in building block <BB_1248>. | The molecule contains 2 ring(s): an aliphatic ring of size 8, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1248>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_1248>. | **Token:** <BB_1248>
**SMILES:** O=C1CCCCCc2ccccc21
**Molecular Formula:** C12H14O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 8, an aromatic ring of size 6.
**Functional Groups:** Ketone | |
Provide the SMILES representation for the building block token <BB_1249>. | CCNCC(=O)NC(C)(C)C.Cl | |
What is the building block token for the following molecule? | CCNCC(=O)NC(C)(C)C.Cl | <BB_1249> |
What is the molecular formula for <BB_1249>? | The molecular formula for <BB_1249> (CCNCC(=O)NC(C)(C)C.Cl) is C8H19ClN2O. | |
Describe the ring structures in building block <BB_1249>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1249>. | The molecule contains the following groups: Secondary Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1249>. | **Token:** <BB_1249>
**SMILES:** CCNCC(=O)NC(C)(C)C.Cl
**Molecular Formula:** C8H19ClN2O
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Secondary Amine, Amide, Halogen (F,Cl,Br,I) |
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