instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_2900>. | CCOC(=O)C1=CCCCC1 | |
What is the building block token for the following molecule? | CCOC(=O)C1=CCCCC1 | <BB_2900> |
What is the molecular formula for <BB_2900>? | The molecular formula for <BB_2900> (CCOC(=O)C1=CCCCC1) is C9H14O2. | |
Describe the ring structures in building block <BB_2900>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2900>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2900>. | **Token:** <BB_2900>
**SMILES:** CCOC(=O)C1=CCCCC1
**Molecular Formula:** C9H14O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_2901>. | OCc1cnc(C(F)(F)F)s1 | |
What is the building block token for the following molecule? | OCc1cnc(C(F)(F)F)s1 | <BB_2901> |
What is the molecular formula for <BB_2901>? | The molecular formula for <BB_2901> (OCc1cnc(C(F)(F)F)s1) is C5H4F3NOS. | |
Describe the ring structures in building block <BB_2901>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2901>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2901>. | **Token:** <BB_2901>
**SMILES:** OCc1cnc(C(F)(F)F)s1
**Molecular Formula:** C5H4F3NOS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2902>. | O=C(O)C12CCCC1C(F)(F)C2 | |
What is the building block token for the following molecule? | O=C(O)C12CCCC1C(F)(F)C2 | <BB_2902> |
What is the molecular formula for <BB_2902>? | The molecular formula for <BB_2902> (O=C(O)C12CCCC1C(F)(F)C2) is C8H10F2O2. | |
Describe the ring structures in building block <BB_2902>. | 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_2902>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2902>. | **Token:** <BB_2902>
**SMILES:** O=C(O)C12CCCC1C(F)(F)C2
**Molecular Formula:** C8H10F2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2903>. | O=NN1CCS(=O)(=O)CC1 | |
What is the building block token for the following molecule? | O=NN1CCS(=O)(=O)CC1 | <BB_2903> |
What is the molecular formula for <BB_2903>? | The molecular formula for <BB_2903> (O=NN1CCS(=O)(=O)CC1) is C4H8N2O3S. | |
Describe the ring structures in building block <BB_2903>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2903>. | The molecule contains the following groups: Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2903>. | **Token:** <BB_2903>
**SMILES:** O=NN1CCS(=O)(=O)CC1
**Molecular Formula:** C4H8N2O3S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_2904>. | CC(=O)Nc1cccc2c1C(=O)CCC2 | |
What is the building block token for the following molecule? | CC(=O)Nc1cccc2c1C(=O)CCC2 | <BB_2904> |
What is the molecular formula for <BB_2904>? | The molecular formula for <BB_2904> (CC(=O)Nc1cccc2c1C(=O)CCC2) is C12H13NO2. | |
Describe the ring structures in building block <BB_2904>. | 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_2904>. | The molecule contains the following groups: Amide, Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_2904>. | **Token:** <BB_2904>
**SMILES:** CC(=O)Nc1cccc2c1C(=O)CCC2
**Molecular Formula:** C12H13NO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amide, Ketone | |
Provide the SMILES representation for the building block token <BB_2905>. | COc1cc(Cl)ccc1Cl | |
What is the building block token for the following molecule? | COc1cc(Cl)ccc1Cl | <BB_2905> |
What is the molecular formula for <BB_2905>? | The molecular formula for <BB_2905> (COc1cc(Cl)ccc1Cl) is C7H6Cl2O. | |
Describe the ring structures in building block <BB_2905>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2905>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2905>. | **Token:** <BB_2905>
**SMILES:** COc1cc(Cl)ccc1Cl
**Molecular Formula:** C7H6Cl2O
**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_2906>. | O=[N+]([O-])c1ccc(F)c(-n2cnnn2)c1 | |
What is the building block token for the following molecule? | O=[N+]([O-])c1ccc(F)c(-n2cnnn2)c1 | <BB_2906> |
What is the molecular formula for <BB_2906>? | The molecular formula for <BB_2906> (O=[N+]([O-])c1ccc(F)c(-n2cnnn2)c1) is C7H4FN5O2. | |
Describe the ring structures in building block <BB_2906>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2906>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_2906>. | **Token:** <BB_2906>
**SMILES:** O=[N+]([O-])c1ccc(F)c(-n2cnnn2)c1
**Molecular Formula:** C7H4FN5O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_2907>. | O=C1NC(=O)C2(CC2)c2ccccc21 | |
What is the building block token for the following molecule? | O=C1NC(=O)C2(CC2)c2ccccc21 | <BB_2907> |
What is the molecular formula for <BB_2907>? | The molecular formula for <BB_2907> (O=C1NC(=O)C2(CC2)c2ccccc21) is C11H9NO2. | |
Describe the ring structures in building block <BB_2907>. | The molecule contains 3 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2907>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_2907>. | **Token:** <BB_2907>
**SMILES:** O=C1NC(=O)C2(CC2)c2ccccc21
**Molecular Formula:** C11H9NO2
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3, an aromatic ring of size 6.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_2908>. | O=S(=O)(c1ccc(Cl)cc1)N1C2CCCCCCC21 | |
What is the building block token for the following molecule? | O=S(=O)(c1ccc(Cl)cc1)N1C2CCCCCCC21 | <BB_2908> |
What is the molecular formula for <BB_2908>? | The molecular formula for <BB_2908> (O=S(=O)(c1ccc(Cl)cc1)N1C2CCCCCCC21) is C14H18ClNO2S. | |
Describe the ring structures in building block <BB_2908>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 8, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_2908>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_2908>. | **Token:** <BB_2908>
**SMILES:** O=S(=O)(c1ccc(Cl)cc1)N1C2CCCCCCC21
**Molecular Formula:** C14H18ClNO2S
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 8, an aliphatic ring of size 3.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_2909>. | C[C@@](N)(C(=O)O)c1ccccc1 | |
What is the building block token for the following molecule? | C[C@@](N)(C(=O)O)c1ccccc1 | <BB_2909> |
What is the molecular formula for <BB_2909>? | The molecular formula for <BB_2909> (C[C@@](N)(C(=O)O)c1ccccc1) is C9H11NO2. | |
Describe the ring structures in building block <BB_2909>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2909>. | The molecule contains the following groups: Carboxylic Acid, Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2909>. | **Token:** <BB_2909>
**SMILES:** C[C@@](N)(C(=O)O)c1ccccc1
**Molecular Formula:** C9H11NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine | |
Provide the SMILES representation for the building block token <BB_2910>. | CN(Cc1nnc(C2CC2)n1C)C1CCNC1 | |
What is the building block token for the following molecule? | CN(Cc1nnc(C2CC2)n1C)C1CCNC1 | <BB_2910> |
What is the molecular formula for <BB_2910>? | The molecular formula for <BB_2910> (CN(Cc1nnc(C2CC2)n1C)C1CCNC1) is C12H21N5. | |
Describe the ring structures in building block <BB_2910>. | The molecule contains 3 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2910>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2910>. | **Token:** <BB_2910>
**SMILES:** CN(Cc1nnc(C2CC2)n1C)C1CCNC1
**Molecular Formula:** C12H21N5
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_2911>. | CCSc1nc2ccc(N)cc2s1 | |
What is the building block token for the following molecule? | CCSc1nc2ccc(N)cc2s1 | <BB_2911> |
What is the molecular formula for <BB_2911>? | The molecular formula for <BB_2911> (CCSc1nc2ccc(N)cc2s1) is C9H10N2S2. | |
Describe the ring structures in building block <BB_2911>. | 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_2911>. | The molecule contains the following groups: Amine, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_2911>. | **Token:** <BB_2911>
**SMILES:** CCSc1nc2ccc(N)cc2s1
**Molecular Formula:** C9H10N2S2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Sulfide | |
Provide the SMILES representation for the building block token <BB_2912>. | Cc1nc(C(=O)O)ccc1C(F)(F)F | |
What is the building block token for the following molecule? | Cc1nc(C(=O)O)ccc1C(F)(F)F | <BB_2912> |
What is the molecular formula for <BB_2912>? | The molecular formula for <BB_2912> (Cc1nc(C(=O)O)ccc1C(F)(F)F) is C8H6F3NO2. | |
Describe the ring structures in building block <BB_2912>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2912>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2912>. | **Token:** <BB_2912>
**SMILES:** Cc1nc(C(=O)O)ccc1C(F)(F)F
**Molecular Formula:** C8H6F3NO2
**Ring System:** The molecule contains 1 ring(s): 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_2913>. | N#Cc1ccc(CN2CCOCC2)cc1 | |
What is the building block token for the following molecule? | N#Cc1ccc(CN2CCOCC2)cc1 | <BB_2913> |
What is the molecular formula for <BB_2913>? | The molecular formula for <BB_2913> (N#Cc1ccc(CN2CCOCC2)cc1) is C12H14N2O. | |
Describe the ring structures in building block <BB_2913>. | 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_2913>. | The molecule contains the following groups: Tertiary Amine, Ether, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2913>. | **Token:** <BB_2913>
**SMILES:** N#Cc1ccc(CN2CCOCC2)cc1
**Molecular Formula:** C12H14N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Ether, Nitrile | |
Provide the SMILES representation for the building block token <BB_2914>. | Cc1ccnc(CN)n1.Cl.Cl | |
What is the building block token for the following molecule? | Cc1ccnc(CN)n1.Cl.Cl | <BB_2914> |
What is the molecular formula for <BB_2914>? | The molecular formula for <BB_2914> (Cc1ccnc(CN)n1.Cl.Cl) is C6H11Cl2N3. | |
Describe the ring structures in building block <BB_2914>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2914>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2914>. | **Token:** <BB_2914>
**SMILES:** Cc1ccnc(CN)n1.Cl.Cl
**Molecular Formula:** C6H11Cl2N3
**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_2915>. | CCn1cc(CCCN)cn1 | |
What is the building block token for the following molecule? | CCn1cc(CCCN)cn1 | <BB_2915> |
What is the molecular formula for <BB_2915>? | The molecular formula for <BB_2915> (CCn1cc(CCCN)cn1) is C8H15N3. | |
Describe the ring structures in building block <BB_2915>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2915>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2915>. | **Token:** <BB_2915>
**SMILES:** CCn1cc(CCCN)cn1
**Molecular Formula:** C8H15N3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_2916>. | Cl.F[C@@H]1CCNC[C@H]1F | |
What is the building block token for the following molecule? | Cl.F[C@@H]1CCNC[C@H]1F | <BB_2916> |
What is the molecular formula for <BB_2916>? | The molecular formula for <BB_2916> (Cl.F[C@@H]1CCNC[C@H]1F) is C5H10ClF2N. | |
Describe the ring structures in building block <BB_2916>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. |
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