instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
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List the primary functional groups present in <BB_1916>. | The molecule contains the following groups: Amine, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1916>. | **Token:** <BB_1916>
**SMILES:** Cl.Nc1cccc(Nc2ccccc2)n1
**Molecular Formula:** C11H12ClN3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1917>. | Cc1ccc(I)cc1C(=O)O | |
What is the building block token for the following molecule? | Cc1ccc(I)cc1C(=O)O | <BB_1917> |
What is the molecular formula for <BB_1917>? | The molecular formula for <BB_1917> (Cc1ccc(I)cc1C(=O)O) is C8H7IO2. | |
Describe the ring structures in building block <BB_1917>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1917>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1917>. | **Token:** <BB_1917>
**SMILES:** Cc1ccc(I)cc1C(=O)O
**Molecular Formula:** C8H7IO2
**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_1918>. | Cc1ncc(C(=O)O)n1C.Cl | |
What is the building block token for the following molecule? | Cc1ncc(C(=O)O)n1C.Cl | <BB_1918> |
What is the molecular formula for <BB_1918>? | The molecular formula for <BB_1918> (Cc1ncc(C(=O)O)n1C.Cl) is C6H9ClN2O2. | |
Describe the ring structures in building block <BB_1918>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1918>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1918>. | **Token:** <BB_1918>
**SMILES:** Cc1ncc(C(=O)O)n1C.Cl
**Molecular Formula:** C6H9ClN2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1919>. | Fc1ccc(Br)c(Cl)n1 | |
What is the building block token for the following molecule? | Fc1ccc(Br)c(Cl)n1 | <BB_1919> |
What is the molecular formula for <BB_1919>? | The molecular formula for <BB_1919> (Fc1ccc(Br)c(Cl)n1) is C5H2BrClFN. | |
Describe the ring structures in building block <BB_1919>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1919>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1919>. | **Token:** <BB_1919>
**SMILES:** Fc1ccc(Br)c(Cl)n1
**Molecular Formula:** C5H2BrClFN
**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_1920>. | COc1ccccc1CNCCO | |
What is the building block token for the following molecule? | COc1ccccc1CNCCO | <BB_1920> |
What is the molecular formula for <BB_1920>? | The molecular formula for <BB_1920> (COc1ccccc1CNCCO) is C10H15NO2. | |
Describe the ring structures in building block <BB_1920>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1920>. | The molecule contains the following groups: Secondary Amine, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1920>. | **Token:** <BB_1920>
**SMILES:** COc1ccccc1CNCCO
**Molecular Formula:** C10H15NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Secondary Amine, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_1921>. | CC(NC(=O)CCl)C12CC3CC(CC(C3)C1)C2 | |
What is the building block token for the following molecule? | CC(NC(=O)CCl)C12CC3CC(CC(C3)C1)C2 | <BB_1921> |
What is the molecular formula for <BB_1921>? | The molecular formula for <BB_1921> (CC(NC(=O)CCl)C12CC3CC(CC(C3)C1)C2) is C14H22ClNO. | |
Describe the ring structures in building block <BB_1921>. | 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_1921>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1921>. | **Token:** <BB_1921>
**SMILES:** CC(NC(=O)CCl)C12CC3CC(CC(C3)C1)C2
**Molecular Formula:** C14H22ClNO
**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_1922>. | Cc1nc2c(F)cc(Br)cc2s1 | |
What is the building block token for the following molecule? | Cc1nc2c(F)cc(Br)cc2s1 | <BB_1922> |
What is the molecular formula for <BB_1922>? | The molecular formula for <BB_1922> (Cc1nc2c(F)cc(Br)cc2s1) is C8H5BrFNS. | |
Describe the ring structures in building block <BB_1922>. | 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_1922>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1922>. | **Token:** <BB_1922>
**SMILES:** Cc1nc2c(F)cc(Br)cc2s1
**Molecular Formula:** C8H5BrFNS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1923>. | Cc1ccc(C(=O)NCC(=O)O)cc1[N+](=O)[O-] | |
What is the building block token for the following molecule? | Cc1ccc(C(=O)NCC(=O)O)cc1[N+](=O)[O-] | <BB_1923> |
What is the molecular formula for <BB_1923>? | The molecular formula for <BB_1923> (Cc1ccc(C(=O)NCC(=O)O)cc1[N+](=O)[O-]) is C10H10N2O5. | |
Describe the ring structures in building block <BB_1923>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1923>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Amide, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_1923>. | **Token:** <BB_1923>
**SMILES:** Cc1ccc(C(=O)NCC(=O)O)cc1[N+](=O)[O-]
**Molecular Formula:** C10H10N2O5
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Amide, Nitro | |
Provide the SMILES representation for the building block token <BB_1924>. | Cc1cc(N)ccc1S(=O)(=O)Nc1ccc(Br)cc1 | |
What is the building block token for the following molecule? | Cc1cc(N)ccc1S(=O)(=O)Nc1ccc(Br)cc1 | <BB_1924> |
What is the molecular formula for <BB_1924>? | The molecular formula for <BB_1924> (Cc1cc(N)ccc1S(=O)(=O)Nc1ccc(Br)cc1) is C13H13BrN2O2S. | |
Describe the ring structures in building block <BB_1924>. | 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_1924>. | The molecule contains the following groups: Amine, Secondary Amine, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_1924>. | **Token:** <BB_1924>
**SMILES:** Cc1cc(N)ccc1S(=O)(=O)Nc1ccc(Br)cc1
**Molecular Formula:** C13H13BrN2O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_1925>. | Cc1cc(C(=O)O)cnc1Cl | |
What is the building block token for the following molecule? | Cc1cc(C(=O)O)cnc1Cl | <BB_1925> |
What is the molecular formula for <BB_1925>? | The molecular formula for <BB_1925> (Cc1cc(C(=O)O)cnc1Cl) is C7H6ClNO2. | |
Describe the ring structures in building block <BB_1925>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1925>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1925>. | **Token:** <BB_1925>
**SMILES:** Cc1cc(C(=O)O)cnc1Cl
**Molecular Formula:** C7H6ClNO2
**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_1926>. | N#CC1CC2(CNC2)C1.O=C(O)C(F)(F)F | |
What is the building block token for the following molecule? | N#CC1CC2(CNC2)C1.O=C(O)C(F)(F)F | <BB_1926> |
What is the molecular formula for <BB_1926>? | The molecular formula for <BB_1926> (N#CC1CC2(CNC2)C1.O=C(O)C(F)(F)F) is C9H11F3N2O2. | |
Describe the ring structures in building block <BB_1926>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1926>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1926>. | **Token:** <BB_1926>
**SMILES:** N#CC1CC2(CNC2)C1.O=C(O)C(F)(F)F
**Molecular Formula:** C9H11F3N2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_1927>. | N#Cc1cc(F)cc(F)c1S(=O)(=O)Cl | |
What is the building block token for the following molecule? | N#Cc1cc(F)cc(F)c1S(=O)(=O)Cl | <BB_1927> |
What is the molecular formula for <BB_1927>? | The molecular formula for <BB_1927> (N#Cc1cc(F)cc(F)c1S(=O)(=O)Cl) is C7H2ClF2NO2S. | |
Describe the ring structures in building block <BB_1927>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1927>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_1927>. | **Token:** <BB_1927>
**SMILES:** N#Cc1cc(F)cc(F)c1S(=O)(=O)Cl
**Molecular Formula:** C7H2ClF2NO2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_1928>. | CC(=O)N1CCN(C(=O)CCC(=O)O)CC1 | |
What is the building block token for the following molecule? | CC(=O)N1CCN(C(=O)CCC(=O)O)CC1 | <BB_1928> |
What is the molecular formula for <BB_1928>? | The molecular formula for <BB_1928> (CC(=O)N1CCN(C(=O)CCC(=O)O)CC1) is C10H16N2O4. | |
Describe the ring structures in building block <BB_1928>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1928>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_1928>. | **Token:** <BB_1928>
**SMILES:** CC(=O)N1CCN(C(=O)CCC(=O)O)CC1
**Molecular Formula:** C10H16N2O4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_1929>. | Cc1cc(F)ccc1CCCN.Cl | |
What is the building block token for the following molecule? | Cc1cc(F)ccc1CCCN.Cl | <BB_1929> |
What is the molecular formula for <BB_1929>? | The molecular formula for <BB_1929> (Cc1cc(F)ccc1CCCN.Cl) is C10H15ClFN. | |
Describe the ring structures in building block <BB_1929>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1929>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1929>. | **Token:** <BB_1929>
**SMILES:** Cc1cc(F)ccc1CCCN.Cl
**Molecular Formula:** C10H15ClFN
**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_1930>. | COC(C=O)C1CCC(F)(F)CC1 | |
What is the building block token for the following molecule? | COC(C=O)C1CCC(F)(F)CC1 | <BB_1930> |
What is the molecular formula for <BB_1930>? | The molecular formula for <BB_1930> (COC(C=O)C1CCC(F)(F)CC1) is C9H14F2O2. | |
Describe the ring structures in building block <BB_1930>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_1930>. | The molecule contains the following groups: Aldehyde, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1930>. | **Token:** <BB_1930>
**SMILES:** COC(C=O)C1CCC(F)(F)CC1
**Molecular Formula:** C9H14F2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Aldehyde, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1931>. | Oc1cc(O)cc(-c2ccccc2)c1 | |
What is the building block token for the following molecule? | Oc1cc(O)cc(-c2ccccc2)c1 | <BB_1931> |
What is the molecular formula for <BB_1931>? | The molecular formula for <BB_1931> (Oc1cc(O)cc(-c2ccccc2)c1) is C12H10O2. | |
Describe the ring structures in building block <BB_1931>. | 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_1931>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_1931>. | **Token:** <BB_1931>
**SMILES:** Oc1cc(O)cc(-c2ccccc2)c1
**Molecular Formula:** C12H10O2
**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_1932>. | Cc1nc(C)c(CN)s1 | |
What is the building block token for the following molecule? | Cc1nc(C)c(CN)s1 | <BB_1932> |
What is the molecular formula for <BB_1932>? | The molecular formula for <BB_1932> (Cc1nc(C)c(CN)s1) is C6H10N2S. | |
Describe the ring structures in building block <BB_1932>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_1932>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1932>. | **Token:** <BB_1932>
**SMILES:** Cc1nc(C)c(CN)s1
**Molecular Formula:** C6H10N2S
**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_1933>. | CCOC1CCCNC1 | |
What is the building block token for the following molecule? | CCOC1CCCNC1 | <BB_1933> |
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