instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_850>. | CCP(=O)(CC)c1cccc(F)c1 | |
What is the building block token for the following molecule? | CCP(=O)(CC)c1cccc(F)c1 | <BB_850> |
What is the molecular formula for <BB_850>? | The molecular formula for <BB_850> (CCP(=O)(CC)c1cccc(F)c1) is C10H14FOP. | |
Describe the ring structures in building block <BB_850>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_850>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_850>. | **Token:** <BB_850>
**SMILES:** CCP(=O)(CC)c1cccc(F)c1
**Molecular Formula:** C10H14FOP
**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_851>. | CNCc1ccc(F)c(Cl)c1.Cl | |
What is the building block token for the following molecule? | CNCc1ccc(F)c(Cl)c1.Cl | <BB_851> |
What is the molecular formula for <BB_851>? | The molecular formula for <BB_851> (CNCc1ccc(F)c(Cl)c1.Cl) is C8H10Cl2FN. | |
Describe the ring structures in building block <BB_851>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_851>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_851>. | **Token:** <BB_851>
**SMILES:** CNCc1ccc(F)c(Cl)c1.Cl
**Molecular Formula:** C8H10Cl2FN
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_852>. | Cl.O=C(O)CC1CCN(c2ccncc2)CC1 | |
What is the building block token for the following molecule? | Cl.O=C(O)CC1CCN(c2ccncc2)CC1 | <BB_852> |
What is the molecular formula for <BB_852>? | The molecular formula for <BB_852> (Cl.O=C(O)CC1CCN(c2ccncc2)CC1) is C12H17ClN2O2. | |
Describe the ring structures in building block <BB_852>. | 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_852>. | 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_852>. | **Token:** <BB_852>
**SMILES:** Cl.O=C(O)CC1CCN(c2ccncc2)CC1
**Molecular Formula:** C12H17ClN2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_853>. | Cl.Cl.NC1CCCOC1c1ccncc1 | |
What is the building block token for the following molecule? | Cl.Cl.NC1CCCOC1c1ccncc1 | <BB_853> |
What is the molecular formula for <BB_853>? | The molecular formula for <BB_853> (Cl.Cl.NC1CCCOC1c1ccncc1) is C10H16Cl2N2O. | |
Describe the ring structures in building block <BB_853>. | 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_853>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_853>. | **Token:** <BB_853>
**SMILES:** Cl.Cl.NC1CCCOC1c1ccncc1
**Molecular Formula:** C10H16Cl2N2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_854>. | Nc1c(Br)cc(F)cc1C(F)(F)F | |
What is the building block token for the following molecule? | Nc1c(Br)cc(F)cc1C(F)(F)F | <BB_854> |
What is the molecular formula for <BB_854>? | The molecular formula for <BB_854> (Nc1c(Br)cc(F)cc1C(F)(F)F) is C7H4BrF4N. | |
Describe the ring structures in building block <BB_854>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_854>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_854>. | **Token:** <BB_854>
**SMILES:** Nc1c(Br)cc(F)cc1C(F)(F)F
**Molecular Formula:** C7H4BrF4N
**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_855>. | CNCc1ccc(F)cc1C(F)(F)F | |
What is the building block token for the following molecule? | CNCc1ccc(F)cc1C(F)(F)F | <BB_855> |
What is the molecular formula for <BB_855>? | The molecular formula for <BB_855> (CNCc1ccc(F)cc1C(F)(F)F) is C9H9F4N. | |
Describe the ring structures in building block <BB_855>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_855>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_855>. | **Token:** <BB_855>
**SMILES:** CNCc1ccc(F)cc1C(F)(F)F
**Molecular Formula:** C9H9F4N
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_856>. | COC1CCC2(CC1)CC(=O)C2 | |
What is the building block token for the following molecule? | COC1CCC2(CC1)CC(=O)C2 | <BB_856> |
What is the molecular formula for <BB_856>? | The molecular formula for <BB_856> (COC1CCC2(CC1)CC(=O)C2) is C10H16O2. | |
Describe the ring structures in building block <BB_856>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_856>. | The molecule contains the following groups: Ketone, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_856>. | **Token:** <BB_856>
**SMILES:** COC1CCC2(CC1)CC(=O)C2
**Molecular Formula:** C10H16O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Ketone, Ether | |
Provide the SMILES representation for the building block token <BB_857>. | CC1CCN(Cc2ccccc2CN)CC1 | |
What is the building block token for the following molecule? | CC1CCN(Cc2ccccc2CN)CC1 | <BB_857> |
What is the molecular formula for <BB_857>? | The molecular formula for <BB_857> (CC1CCN(Cc2ccccc2CN)CC1) is C14H22N2. | |
Describe the ring structures in building block <BB_857>. | 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_857>. | The molecule contains the following groups: Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_857>. | **Token:** <BB_857>
**SMILES:** CC1CCN(Cc2ccccc2CN)CC1
**Molecular Formula:** C14H22N2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_858>. | CC(=O)N1CC(C)CNc2ccccc21.Cl | |
What is the building block token for the following molecule? | CC(=O)N1CC(C)CNc2ccccc21.Cl | <BB_858> |
What is the molecular formula for <BB_858>? | The molecular formula for <BB_858> (CC(=O)N1CC(C)CNc2ccccc21.Cl) is C12H17ClN2O. | |
Describe the ring structures in building block <BB_858>. | The molecule contains 2 ring(s): an aliphatic ring of size 7, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_858>. | The molecule contains the following groups: Secondary Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_858>. | **Token:** <BB_858>
**SMILES:** CC(=O)N1CC(C)CNc2ccccc21.Cl
**Molecular Formula:** C12H17ClN2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 7, an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_859>. | O=C(O)c1ccc(F)cc1C1CC1 | |
What is the building block token for the following molecule? | O=C(O)c1ccc(F)cc1C1CC1 | <BB_859> |
What is the molecular formula for <BB_859>? | The molecular formula for <BB_859> (O=C(O)c1ccc(F)cc1C1CC1) is C10H9FO2. | |
Describe the ring structures in building block <BB_859>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_859>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_859>. | **Token:** <BB_859>
**SMILES:** O=C(O)c1ccc(F)cc1C1CC1
**Molecular Formula:** C10H9FO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_860>. | CCOC(=O)c1conc1CCl | |
What is the building block token for the following molecule? | CCOC(=O)c1conc1CCl | <BB_860> |
What is the molecular formula for <BB_860>? | The molecular formula for <BB_860> (CCOC(=O)c1conc1CCl) is C7H8ClNO3. | |
Describe the ring structures in building block <BB_860>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_860>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_860>. | **Token:** <BB_860>
**SMILES:** CCOC(=O)c1conc1CCl
**Molecular Formula:** C7H8ClNO3
**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_861>. | Sc1nc2ccc(Cl)cc2[nH]1 | |
What is the building block token for the following molecule? | Sc1nc2ccc(Cl)cc2[nH]1 | <BB_861> |
What is the molecular formula for <BB_861>? | The molecular formula for <BB_861> (Sc1nc2ccc(Cl)cc2[nH]1) is C7H5ClN2S. | |
Describe the ring structures in building block <BB_861>. | 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_861>. | The molecule contains the following groups: Thiol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_861>. | **Token:** <BB_861>
**SMILES:** Sc1nc2ccc(Cl)cc2[nH]1
**Molecular Formula:** C7H5ClN2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Thiol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_862>. | N#CCc1cc(F)c(Br)cc1[N+](=O)[O-] | |
What is the building block token for the following molecule? | N#CCc1cc(F)c(Br)cc1[N+](=O)[O-] | <BB_862> |
What is the molecular formula for <BB_862>? | The molecular formula for <BB_862> (N#CCc1cc(F)c(Br)cc1[N+](=O)[O-]) is C8H4BrFN2O2. | |
Describe the ring structures in building block <BB_862>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_862>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I), Nitrile, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_862>. | **Token:** <BB_862>
**SMILES:** N#CCc1cc(F)c(Br)cc1[N+](=O)[O-]
**Molecular Formula:** C8H4BrFN2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I), Nitrile, Nitro | |
Provide the SMILES representation for the building block token <BB_863>. | O=C(O)C1CSCN1C(=O)C1CC1 | |
What is the building block token for the following molecule? | O=C(O)C1CSCN1C(=O)C1CC1 | <BB_863> |
What is the molecular formula for <BB_863>? | The molecular formula for <BB_863> (O=C(O)C1CSCN1C(=O)C1CC1) is C8H11NO3S. | |
Describe the ring structures in building block <BB_863>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_863>. | The molecule contains the following groups: Carboxylic Acid, Amide, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_863>. | **Token:** <BB_863>
**SMILES:** O=C(O)C1CSCN1C(=O)C1CC1
**Molecular Formula:** C8H11NO3S
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Carboxylic Acid, Amide, Sulfide | |
Provide the SMILES representation for the building block token <BB_864>. | N#Cc1ccc(F)c2cnccc12 | |
What is the building block token for the following molecule? | N#Cc1ccc(F)c2cnccc12 | <BB_864> |
What is the molecular formula for <BB_864>? | The molecular formula for <BB_864> (N#Cc1ccc(F)c2cnccc12) is C10H5FN2. | |
Describe the ring structures in building block <BB_864>. | 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_864>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_864>. | **Token:** <BB_864>
**SMILES:** N#Cc1ccc(F)c2cnccc12
**Molecular Formula:** C10H5FN2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_865>. | CC(C)(C)OC(=O)N1CC=CC1C(=O)O | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CC=CC1C(=O)O | <BB_865> |
What is the molecular formula for <BB_865>? | The molecular formula for <BB_865> (CC(C)(C)OC(=O)N1CC=CC1C(=O)O) is C10H15NO4. | |
Describe the ring structures in building block <BB_865>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_865>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_865>. | **Token:** <BB_865>
**SMILES:** CC(C)(C)OC(=O)N1CC=CC1C(=O)O
**Molecular Formula:** C10H15NO4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_866>. | CNC(=O)C(c1ccccc1)N1CCNCC1 | |
What is the building block token for the following molecule? | CNC(=O)C(c1ccccc1)N1CCNCC1 | <BB_866> |
What is the molecular formula for <BB_866>? | The molecular formula for <BB_866> (CNC(=O)C(c1ccccc1)N1CCNCC1) is C13H19N3O. | |
Describe the ring structures in building block <BB_866>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6. |
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