instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
List the primary functional groups present in <BB_1166>. | The molecule contains the following groups: Secondary Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1166>. | **Token:** <BB_1166>
**SMILES:** CC(=O)N1C[C@H]2CNC[C@H]2C1.Cl.Cl
**Molecular Formula:** C8H16Cl2N2O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1167>. | Cc1ccc(CC(N)=S)cc1 | |
What is the building block token for the following molecule? | Cc1ccc(CC(N)=S)cc1 | <BB_1167> |
What is the molecular formula for <BB_1167>? | The molecular formula for <BB_1167> (Cc1ccc(CC(N)=S)cc1) is C9H11NS. | |
Describe the ring structures in building block <BB_1167>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1167>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1167>. | **Token:** <BB_1167>
**SMILES:** Cc1ccc(CC(N)=S)cc1
**Molecular Formula:** C9H11NS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_1168>. | NC1CCN(Cc2ccccc2)C1 | |
What is the building block token for the following molecule? | NC1CCN(Cc2ccccc2)C1 | <BB_1168> |
What is the molecular formula for <BB_1168>? | The molecular formula for <BB_1168> (NC1CCN(Cc2ccccc2)C1) is C11H16N2. | |
Describe the ring structures in building block <BB_1168>. | 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_1168>. | The molecule contains the following groups: Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1168>. | **Token:** <BB_1168>
**SMILES:** NC1CCN(Cc2ccccc2)C1
**Molecular Formula:** C11H16N2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_1169>. | COC(=O)[C@H](N)CCCC(F)(F)F.Cl | |
What is the building block token for the following molecule? | COC(=O)[C@H](N)CCCC(F)(F)F.Cl | <BB_1169> |
What is the molecular formula for <BB_1169>? | The molecular formula for <BB_1169> (COC(=O)[C@H](N)CCCC(F)(F)F.Cl) is C7H13ClF3NO2. | |
Describe the ring structures in building block <BB_1169>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_1169>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1169>. | **Token:** <BB_1169>
**SMILES:** COC(=O)[C@H](N)CCCC(F)(F)F.Cl
**Molecular Formula:** C7H13ClF3NO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1170>. | FC(F)(F)c1ncc(Cl)nc1Cl | |
What is the building block token for the following molecule? | FC(F)(F)c1ncc(Cl)nc1Cl | <BB_1170> |
What is the molecular formula for <BB_1170>? | The molecular formula for <BB_1170> (FC(F)(F)c1ncc(Cl)nc1Cl) is C5HCl2F3N2. | |
Describe the ring structures in building block <BB_1170>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1170>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1170>. | **Token:** <BB_1170>
**SMILES:** FC(F)(F)c1ncc(Cl)nc1Cl
**Molecular Formula:** C5HCl2F3N2
**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_1171>. | COC(=O)Cc1ccc(S(=O)(=O)Cl)cc1 | |
What is the building block token for the following molecule? | COC(=O)Cc1ccc(S(=O)(=O)Cl)cc1 | <BB_1171> |
What is the molecular formula for <BB_1171>? | The molecular formula for <BB_1171> (COC(=O)Cc1ccc(S(=O)(=O)Cl)cc1) is C9H9ClO4S. | |
Describe the ring structures in building block <BB_1171>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1171>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1171>. | **Token:** <BB_1171>
**SMILES:** COC(=O)Cc1ccc(S(=O)(=O)Cl)cc1
**Molecular Formula:** C9H9ClO4S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1172>. | Fc1ccc(N=C=S)nc1 | |
What is the building block token for the following molecule? | Fc1ccc(N=C=S)nc1 | <BB_1172> |
What is the molecular formula for <BB_1172>? | The molecular formula for <BB_1172> (Fc1ccc(N=C=S)nc1) is C6H3FN2S. | |
Describe the ring structures in building block <BB_1172>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1172>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1172>. | **Token:** <BB_1172>
**SMILES:** Fc1ccc(N=C=S)nc1
**Molecular Formula:** C6H3FN2S
**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_1173>. | O=Cc1cc(I)ccc1[N+](=O)[O-] | |
What is the building block token for the following molecule? | O=Cc1cc(I)ccc1[N+](=O)[O-] | <BB_1173> |
What is the molecular formula for <BB_1173>? | The molecular formula for <BB_1173> (O=Cc1cc(I)ccc1[N+](=O)[O-]) is C7H4INO3. | |
Describe the ring structures in building block <BB_1173>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1173>. | The molecule contains the following groups: Tertiary Amine, Aldehyde, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_1173>. | **Token:** <BB_1173>
**SMILES:** O=Cc1cc(I)ccc1[N+](=O)[O-]
**Molecular Formula:** C7H4INO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Aldehyde, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_1174>. | Cc1cc(B(O)O)c(C)cn1.Cl | |
What is the building block token for the following molecule? | Cc1cc(B(O)O)c(C)cn1.Cl | <BB_1174> |
What is the molecular formula for <BB_1174>? | The molecular formula for <BB_1174> (Cc1cc(B(O)O)c(C)cn1.Cl) is C7H11BClNO2. | |
Describe the ring structures in building block <BB_1174>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1174>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1174>. | **Token:** <BB_1174>
**SMILES:** Cc1cc(B(O)O)c(C)cn1.Cl
**Molecular Formula:** C7H11BClNO2
**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_1175>. | COc1ccc(N2C(=O)C=CC2=O)cn1 | |
What is the building block token for the following molecule? | COc1ccc(N2C(=O)C=CC2=O)cn1 | <BB_1175> |
What is the molecular formula for <BB_1175>? | The molecular formula for <BB_1175> (COc1ccc(N2C(=O)C=CC2=O)cn1) is C10H8N2O3. | |
Describe the ring structures in building block <BB_1175>. | 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_1175>. | The molecule contains the following groups: Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1175>. | **Token:** <BB_1175>
**SMILES:** COc1ccc(N2C(=O)C=CC2=O)cn1
**Molecular Formula:** C10H8N2O3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amide, Ether | |
Provide the SMILES representation for the building block token <BB_1176>. | CNCC1(C)CCCO1.Cl | |
What is the building block token for the following molecule? | CNCC1(C)CCCO1.Cl | <BB_1176> |
What is the molecular formula for <BB_1176>? | The molecular formula for <BB_1176> (CNCC1(C)CCCO1.Cl) is C7H16ClNO. | |
Describe the ring structures in building block <BB_1176>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_1176>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1176>. | **Token:** <BB_1176>
**SMILES:** CNCC1(C)CCCO1.Cl
**Molecular Formula:** C7H16ClNO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1177>. | CCOC1(CO)CCC1 | |
What is the building block token for the following molecule? | CCOC1(CO)CCC1 | <BB_1177> |
What is the molecular formula for <BB_1177>? | The molecular formula for <BB_1177> (CCOC1(CO)CCC1) is C7H14O2. | |
Describe the ring structures in building block <BB_1177>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_1177>. | The molecule contains the following groups: Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_1177>. | **Token:** <BB_1177>
**SMILES:** CCOC1(CO)CCC1
**Molecular Formula:** C7H14O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_1178>. | O=S(=O)(c1ccccc1)C1CCCCC1 | |
What is the building block token for the following molecule? | O=S(=O)(c1ccccc1)C1CCCCC1 | <BB_1178> |
What is the molecular formula for <BB_1178>? | The molecular formula for <BB_1178> (O=S(=O)(c1ccccc1)C1CCCCC1) is C12H16O2S. | |
Describe the ring structures in building block <BB_1178>. | 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_1178>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_1178>. | **Token:** <BB_1178>
**SMILES:** O=S(=O)(c1ccccc1)C1CCCCC1
**Molecular Formula:** C12H16O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_1179>. | NCC1(Nc2ccccc2)CCCCC1 | |
What is the building block token for the following molecule? | NCC1(Nc2ccccc2)CCCCC1 | <BB_1179> |
What is the molecular formula for <BB_1179>? | The molecular formula for <BB_1179> (NCC1(Nc2ccccc2)CCCCC1) is C13H20N2. | |
Describe the ring structures in building block <BB_1179>. | 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_1179>. | The molecule contains the following groups: Amine, Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1179>. | **Token:** <BB_1179>
**SMILES:** NCC1(Nc2ccccc2)CCCCC1
**Molecular Formula:** C13H20N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine | |
Provide the SMILES representation for the building block token <BB_1180>. | CC(=O)c1ncccn1 | |
What is the building block token for the following molecule? | CC(=O)c1ncccn1 | <BB_1180> |
What is the molecular formula for <BB_1180>? | The molecular formula for <BB_1180> (CC(=O)c1ncccn1) is C6H6N2O. | |
Describe the ring structures in building block <BB_1180>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1180>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_1180>. | **Token:** <BB_1180>
**SMILES:** CC(=O)c1ncccn1
**Molecular Formula:** C6H6N2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ketone | |
Provide the SMILES representation for the building block token <BB_1181>. | CC(C)(C)C#Cc1ccc(N)cc1 | |
What is the building block token for the following molecule? | CC(C)(C)C#Cc1ccc(N)cc1 | <BB_1181> |
What is the molecular formula for <BB_1181>? | The molecular formula for <BB_1181> (CC(C)(C)C#Cc1ccc(N)cc1) is C12H15N. | |
Describe the ring structures in building block <BB_1181>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1181>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_1181>. | **Token:** <BB_1181>
**SMILES:** CC(C)(C)C#Cc1ccc(N)cc1
**Molecular Formula:** C12H15N
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_1182>. | COC(=O)c1cc(N)c(O)cc1F | |
What is the building block token for the following molecule? | COC(=O)c1cc(N)c(O)cc1F | <BB_1182> |
What is the molecular formula for <BB_1182>? | The molecular formula for <BB_1182> (COC(=O)c1cc(N)c(O)cc1F) is C8H8FNO3. | |
Describe the ring structures in building block <BB_1182>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_1182>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_1182>. | **Token:** <BB_1182>
**SMILES:** COC(=O)c1cc(N)c(O)cc1F
**Molecular Formula:** C8H8FNO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_1183>. | O=C(O)[C@@H]1C[C@H]1C1CC1 | |
What is the building block token for the following molecule? | O=C(O)[C@@H]1C[C@H]1C1CC1 | <BB_1183> |
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