instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
List the primary functional groups present in <BB_2916>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2916>. | **Token:** <BB_2916>
**SMILES:** Cl.F[C@@H]1CCNC[C@H]1F
**Molecular Formula:** C5H10ClF2N
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2917>. | CCC(CO)N1CCNCC1 | |
What is the building block token for the following molecule? | CCC(CO)N1CCNCC1 | <BB_2917> |
What is the molecular formula for <BB_2917>? | The molecular formula for <BB_2917> (CCC(CO)N1CCNCC1) is C8H18N2O. | |
Describe the ring structures in building block <BB_2917>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2917>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_2917>. | **Token:** <BB_2917>
**SMILES:** CCC(CO)N1CCNCC1
**Molecular Formula:** C8H18N2O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Alcohol | |
Provide the SMILES representation for the building block token <BB_2918>. | N#Cc1ccc(C(=O)NNC(=O)CCl)cc1 | |
What is the building block token for the following molecule? | N#Cc1ccc(C(=O)NNC(=O)CCl)cc1 | <BB_2918> |
What is the molecular formula for <BB_2918>? | The molecular formula for <BB_2918> (N#Cc1ccc(C(=O)NNC(=O)CCl)cc1) is C10H8ClN3O2. | |
Describe the ring structures in building block <BB_2918>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2918>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2918>. | **Token:** <BB_2918>
**SMILES:** N#Cc1ccc(C(=O)NNC(=O)CCl)cc1
**Molecular Formula:** C10H8ClN3O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_2919>. | Cc1ncc(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-] | |
What is the building block token for the following molecule? | Cc1ncc(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-] | <BB_2919> |
What is the molecular formula for <BB_2919>? | The molecular formula for <BB_2919> (Cc1ncc(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-]) is C12H17BN2O4. | |
Describe the ring structures in building block <BB_2919>. | 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_2919>. | The molecule contains the following groups: Tertiary Amine, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_2919>. | **Token:** <BB_2919>
**SMILES:** Cc1ncc(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-]
**Molecular Formula:** C12H17BN2O4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Tertiary Amine, Nitro | |
Provide the SMILES representation for the building block token <BB_2920>. | CC(=O)N1CCCc2cc(Br)ccc21 | |
What is the building block token for the following molecule? | CC(=O)N1CCCc2cc(Br)ccc21 | <BB_2920> |
What is the molecular formula for <BB_2920>? | The molecular formula for <BB_2920> (CC(=O)N1CCCc2cc(Br)ccc21) is C11H12BrNO. | |
Describe the ring structures in building block <BB_2920>. | 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_2920>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2920>. | **Token:** <BB_2920>
**SMILES:** CC(=O)N1CCCc2cc(Br)ccc21
**Molecular Formula:** C11H12BrNO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2921>. | O=C(O)c1c(Br)cc(F)c(Cl)c1F | |
What is the building block token for the following molecule? | O=C(O)c1c(Br)cc(F)c(Cl)c1F | <BB_2921> |
What is the molecular formula for <BB_2921>? | The molecular formula for <BB_2921> (O=C(O)c1c(Br)cc(F)c(Cl)c1F) is C7H2BrClF2O2. | |
Describe the ring structures in building block <BB_2921>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2921>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2921>. | **Token:** <BB_2921>
**SMILES:** O=C(O)c1c(Br)cc(F)c(Cl)c1F
**Molecular Formula:** C7H2BrClF2O2
**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_2922>. | CCOC(=O)c1cc(C)c(Br)c(S(N)(=O)=O)c1 | |
What is the building block token for the following molecule? | CCOC(=O)c1cc(C)c(Br)c(S(N)(=O)=O)c1 | <BB_2922> |
What is the molecular formula for <BB_2922>? | The molecular formula for <BB_2922> (CCOC(=O)c1cc(C)c(Br)c(S(N)(=O)=O)c1) is C10H12BrNO4S. | |
Describe the ring structures in building block <BB_2922>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2922>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_2922>. | **Token:** <BB_2922>
**SMILES:** CCOC(=O)c1cc(C)c(Br)c(S(N)(=O)=O)c1
**Molecular Formula:** C10H12BrNO4S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_2923>. | Nc1cc2ccccc2c2cccnc12 | |
What is the building block token for the following molecule? | Nc1cc2ccccc2c2cccnc12 | <BB_2923> |
What is the molecular formula for <BB_2923>? | The molecular formula for <BB_2923> (Nc1cc2ccccc2c2cccnc12) is C13H10N2. | |
Describe the ring structures in building block <BB_2923>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2923>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2923>. | **Token:** <BB_2923>
**SMILES:** Nc1cc2ccccc2c2cccnc12
**Molecular Formula:** C13H10N2
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, 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_2924>. | O=C=NC(c1ccccc1)c1ccccc1 | |
What is the building block token for the following molecule? | O=C=NC(c1ccccc1)c1ccccc1 | <BB_2924> |
What is the molecular formula for <BB_2924>? | The molecular formula for <BB_2924> (O=C=NC(c1ccccc1)c1ccccc1) is C14H11NO. | |
Describe the ring structures in building block <BB_2924>. | 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_2924>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_2924>. | **Token:** <BB_2924>
**SMILES:** O=C=NC(c1ccccc1)c1ccccc1
**Molecular Formula:** C14H11NO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_2925>. | CCC(C(N)=O)N1CCCC1=O | |
What is the building block token for the following molecule? | CCC(C(N)=O)N1CCCC1=O | <BB_2925> |
What is the molecular formula for <BB_2925>? | The molecular formula for <BB_2925> (CCC(C(N)=O)N1CCCC1=O) is C8H14N2O2. | |
Describe the ring structures in building block <BB_2925>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2925>. | The molecule contains the following groups: Amide. | |
Provide a comprehensive chemical profile for the building block <BB_2925>. | **Token:** <BB_2925>
**SMILES:** CCC(C(N)=O)N1CCCC1=O
**Molecular Formula:** C8H14N2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amide | |
Provide the SMILES representation for the building block token <BB_2926>. | Nc1ncc(CO)cn1 | |
What is the building block token for the following molecule? | Nc1ncc(CO)cn1 | <BB_2926> |
What is the molecular formula for <BB_2926>? | The molecular formula for <BB_2926> (Nc1ncc(CO)cn1) is C5H7N3O. | |
Describe the ring structures in building block <BB_2926>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2926>. | The molecule contains the following groups: Amine, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_2926>. | **Token:** <BB_2926>
**SMILES:** Nc1ncc(CO)cn1
**Molecular Formula:** C5H7N3O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Alcohol | |
Provide the SMILES representation for the building block token <BB_2927>. | C[C@@H]1CNCC(C)(C)O1.Cl | |
What is the building block token for the following molecule? | C[C@@H]1CNCC(C)(C)O1.Cl | <BB_2927> |
What is the molecular formula for <BB_2927>? | The molecular formula for <BB_2927> (C[C@@H]1CNCC(C)(C)O1.Cl) is C7H16ClNO. | |
Describe the ring structures in building block <BB_2927>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2927>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2927>. | **Token:** <BB_2927>
**SMILES:** C[C@@H]1CNCC(C)(C)O1.Cl
**Molecular Formula:** C7H16ClNO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2928>. | CCOC(=O)N1CCC(S(=O)(=O)Cl)CC1 | |
What is the building block token for the following molecule? | CCOC(=O)N1CCC(S(=O)(=O)Cl)CC1 | <BB_2928> |
What is the molecular formula for <BB_2928>? | The molecular formula for <BB_2928> (CCOC(=O)N1CCC(S(=O)(=O)Cl)CC1) is C8H14ClNO4S. | |
Describe the ring structures in building block <BB_2928>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2928>. | The molecule contains the following groups: Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2928>. | **Token:** <BB_2928>
**SMILES:** CCOC(=O)N1CCC(S(=O)(=O)Cl)CC1
**Molecular Formula:** C8H14ClNO4S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2929>. | NC(=O)NCC(F)(F)F | |
What is the building block token for the following molecule? | NC(=O)NCC(F)(F)F | <BB_2929> |
What is the molecular formula for <BB_2929>? | The molecular formula for <BB_2929> (NC(=O)NCC(F)(F)F) is C3H5F3N2O. | |
Describe the ring structures in building block <BB_2929>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2929>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2929>. | **Token:** <BB_2929>
**SMILES:** NC(=O)NCC(F)(F)F
**Molecular Formula:** C3H5F3N2O
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2930>. | Nc1nc(-c2cnccn2)cs1 | |
What is the building block token for the following molecule? | Nc1nc(-c2cnccn2)cs1 | <BB_2930> |
What is the molecular formula for <BB_2930>? | The molecular formula for <BB_2930> (Nc1nc(-c2cnccn2)cs1) is C7H6N4S. | |
Describe the ring structures in building block <BB_2930>. | 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_2930>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2930>. | **Token:** <BB_2930>
**SMILES:** Nc1nc(-c2cnccn2)cs1
**Molecular Formula:** C7H6N4S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_2931>. | CN(C)C1CCC2NCCOC2C1 | |
What is the building block token for the following molecule? | CN(C)C1CCC2NCCOC2C1 | <BB_2931> |
What is the molecular formula for <BB_2931>? | The molecular formula for <BB_2931> (CN(C)C1CCC2NCCOC2C1) is C10H20N2O. | |
Describe the ring structures in building block <BB_2931>. | 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_2931>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2931>. | **Token:** <BB_2931>
**SMILES:** CN(C)C1CCC2NCCOC2C1
**Molecular Formula:** C10H20N2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_2932>. | NCc1cnn(CC(F)(F)F)c1 | |
What is the building block token for the following molecule? | NCc1cnn(CC(F)(F)F)c1 | <BB_2932> |
What is the molecular formula for <BB_2932>? | The molecular formula for <BB_2932> (NCc1cnn(CC(F)(F)F)c1) is C6H8F3N3. | |
Describe the ring structures in building block <BB_2932>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2932>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2932>. | **Token:** <BB_2932>
**SMILES:** NCc1cnn(CC(F)(F)F)c1
**Molecular Formula:** C6H8F3N3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2933>. | CC(C)(C)OC(=O)Nc1cccnc1C(F)(F)F | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)Nc1cccnc1C(F)(F)F | <BB_2933> |
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