instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_2683>? | The molecular formula for <BB_2683> (Cc1cc2[nH]c(N)cc(=O)n2n1) is C7H8N4O. | |
Describe the ring structures in building block <BB_2683>. | 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_2683>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2683>. | **Token:** <BB_2683>
**SMILES:** Cc1cc2[nH]c(N)cc(=O)n2n1
**Molecular Formula:** C7H8N4O
**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_2684>. | Cn1nc(C(=O)O)c2c1CCC2 | |
What is the building block token for the following molecule? | Cn1nc(C(=O)O)c2c1CCC2 | <BB_2684> |
What is the molecular formula for <BB_2684>? | The molecular formula for <BB_2684> (Cn1nc(C(=O)O)c2c1CCC2) is C8H10N2O2. | |
Describe the ring structures in building block <BB_2684>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2684>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_2684>. | **Token:** <BB_2684>
**SMILES:** Cn1nc(C(=O)O)c2c1CCC2
**Molecular Formula:** C8H10N2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_2685>. | Brc1ccc2cc[nH]c2n1 | |
What is the building block token for the following molecule? | Brc1ccc2cc[nH]c2n1 | <BB_2685> |
What is the molecular formula for <BB_2685>? | The molecular formula for <BB_2685> (Brc1ccc2cc[nH]c2n1) is C7H5BrN2. | |
Describe the ring structures in building block <BB_2685>. | 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_2685>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2685>. | **Token:** <BB_2685>
**SMILES:** Brc1ccc2cc[nH]c2n1
**Molecular Formula:** C7H5BrN2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2686>. | O=C(O)C12COC(c3ccc(Br)cc3)(C1)C2 | |
What is the building block token for the following molecule? | O=C(O)C12COC(c3ccc(Br)cc3)(C1)C2 | <BB_2686> |
What is the molecular formula for <BB_2686>? | The molecular formula for <BB_2686> (O=C(O)C12COC(c3ccc(Br)cc3)(C1)C2) is C12H11BrO3. | |
Describe the ring structures in building block <BB_2686>. | The molecule contains 4 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 5, an aromatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2686>. | The molecule contains the following groups: Carboxylic Acid, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2686>. | **Token:** <BB_2686>
**SMILES:** O=C(O)C12COC(c3ccc(Br)cc3)(C1)C2
**Molecular Formula:** C12H11BrO3
**Ring System:** The molecule contains 4 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 5, an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2687>. | Nc1nc(=O)cn[nH]1 | |
What is the building block token for the following molecule? | Nc1nc(=O)cn[nH]1 | <BB_2687> |
What is the molecular formula for <BB_2687>? | The molecular formula for <BB_2687> (Nc1nc(=O)cn[nH]1) is C3H4N4O. | |
Describe the ring structures in building block <BB_2687>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2687>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2687>. | **Token:** <BB_2687>
**SMILES:** Nc1nc(=O)cn[nH]1
**Molecular Formula:** C3H4N4O
**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_2688>. | COc1cc(N=C=O)ccc1F | |
What is the building block token for the following molecule? | COc1cc(N=C=O)ccc1F | <BB_2688> |
What is the molecular formula for <BB_2688>? | The molecular formula for <BB_2688> (COc1cc(N=C=O)ccc1F) is C8H6FNO2. | |
Describe the ring structures in building block <BB_2688>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2688>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2688>. | **Token:** <BB_2688>
**SMILES:** COc1cc(N=C=O)ccc1F
**Molecular Formula:** C8H6FNO2
**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_2689>. | FC(F)(F)c1ccccn1 | |
What is the building block token for the following molecule? | FC(F)(F)c1ccccn1 | <BB_2689> |
What is the molecular formula for <BB_2689>? | The molecular formula for <BB_2689> (FC(F)(F)c1ccccn1) is C6H4F3N. | |
Describe the ring structures in building block <BB_2689>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2689>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2689>. | **Token:** <BB_2689>
**SMILES:** FC(F)(F)c1ccccn1
**Molecular Formula:** C6H4F3N
**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_2690>. | COc1ccc(-c2csc(N)n2)c(Br)c1 | |
What is the building block token for the following molecule? | COc1ccc(-c2csc(N)n2)c(Br)c1 | <BB_2690> |
What is the molecular formula for <BB_2690>? | The molecular formula for <BB_2690> (COc1ccc(-c2csc(N)n2)c(Br)c1) is C10H9BrN2OS. | |
Describe the ring structures in building block <BB_2690>. | 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_2690>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2690>. | **Token:** <BB_2690>
**SMILES:** COc1ccc(-c2csc(N)n2)c(Br)c1
**Molecular Formula:** C10H9BrN2OS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2691>. | Br.Br.Brc1ccc(N2CCNCC2)nn1 | |
What is the building block token for the following molecule? | Br.Br.Brc1ccc(N2CCNCC2)nn1 | <BB_2691> |
What is the molecular formula for <BB_2691>? | The molecular formula for <BB_2691> (Br.Br.Brc1ccc(N2CCNCC2)nn1) is C8H13Br3N4. | |
Describe the ring structures in building block <BB_2691>. | 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_2691>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2691>. | **Token:** <BB_2691>
**SMILES:** Br.Br.Brc1ccc(N2CCNCC2)nn1
**Molecular Formula:** C8H13Br3N4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2692>. | COC(=O)c1ccc(Br)cc1C(=O)O | |
What is the building block token for the following molecule? | COC(=O)c1ccc(Br)cc1C(=O)O | <BB_2692> |
What is the molecular formula for <BB_2692>? | The molecular formula for <BB_2692> (COC(=O)c1ccc(Br)cc1C(=O)O) is C9H7BrO4. | |
Describe the ring structures in building block <BB_2692>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2692>. | The molecule contains the following groups: Carboxylic Acid, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2692>. | **Token:** <BB_2692>
**SMILES:** COC(=O)c1ccc(Br)cc1C(=O)O
**Molecular Formula:** C9H7BrO4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2693>. | CN1NC=C2CN=C(Cl)N=C21 | |
What is the building block token for the following molecule? | CN1NC=C2CN=C(Cl)N=C21 | <BB_2693> |
What is the molecular formula for <BB_2693>? | The molecular formula for <BB_2693> (CN1NC=C2CN=C(Cl)N=C21) is C6H7ClN4. | |
Describe the ring structures in building block <BB_2693>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2693>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2693>. | **Token:** <BB_2693>
**SMILES:** CN1NC=C2CN=C(Cl)N=C21
**Molecular Formula:** C6H7ClN4
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2694>. | CC12COC(CO)(C1)C2 | |
What is the building block token for the following molecule? | CC12COC(CO)(C1)C2 | <BB_2694> |
What is the molecular formula for <BB_2694>? | The molecular formula for <BB_2694> (CC12COC(CO)(C1)C2) is C7H12O2. | |
Describe the ring structures in building block <BB_2694>. | The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2694>. | The molecule contains the following groups: Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2694>. | **Token:** <BB_2694>
**SMILES:** CC12COC(CO)(C1)C2
**Molecular Formula:** C7H12O2
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_2695>. | O=C(O)c1ccnc(Br)c1Cl | |
What is the building block token for the following molecule? | O=C(O)c1ccnc(Br)c1Cl | <BB_2695> |
What is the molecular formula for <BB_2695>? | The molecular formula for <BB_2695> (O=C(O)c1ccnc(Br)c1Cl) is C6H3BrClNO2. | |
Describe the ring structures in building block <BB_2695>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2695>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2695>. | **Token:** <BB_2695>
**SMILES:** O=C(O)c1ccnc(Br)c1Cl
**Molecular Formula:** C6H3BrClNO2
**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_2696>. | NCc1ccccc1-c1ccc(Cl)cc1Cl | |
What is the building block token for the following molecule? | NCc1ccccc1-c1ccc(Cl)cc1Cl | <BB_2696> |
What is the molecular formula for <BB_2696>? | The molecular formula for <BB_2696> (NCc1ccccc1-c1ccc(Cl)cc1Cl) is C13H11Cl2N. | |
Describe the ring structures in building block <BB_2696>. | 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_2696>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2696>. | **Token:** <BB_2696>
**SMILES:** NCc1ccccc1-c1ccc(Cl)cc1Cl
**Molecular Formula:** C13H11Cl2N
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2697>. | CCC1(C=O)CCC1 | |
What is the building block token for the following molecule? | CCC1(C=O)CCC1 | <BB_2697> |
What is the molecular formula for <BB_2697>? | The molecular formula for <BB_2697> (CCC1(C=O)CCC1) is C7H12O. | |
Describe the ring structures in building block <BB_2697>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_2697>. | The molecule contains the following groups: Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_2697>. | **Token:** <BB_2697>
**SMILES:** CCC1(C=O)CCC1
**Molecular Formula:** C7H12O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Aldehyde | |
Provide the SMILES representation for the building block token <BB_2698>. | CS(=O)(=O)Cc1ccon1 | |
What is the building block token for the following molecule? | CS(=O)(=O)Cc1ccon1 | <BB_2698> |
What is the molecular formula for <BB_2698>? | The molecular formula for <BB_2698> (CS(=O)(=O)Cc1ccon1) is C5H7NO3S. | |
Describe the ring structures in building block <BB_2698>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2698>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_2698>. | **Token:** <BB_2698>
**SMILES:** CS(=O)(=O)Cc1ccon1
**Molecular Formula:** C5H7NO3S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_2699>. | COc1ccccc1CNC(=O)n1ccnc1 | |
What is the building block token for the following molecule? | COc1ccccc1CNC(=O)n1ccnc1 | <BB_2699> |
What is the molecular formula for <BB_2699>? | The molecular formula for <BB_2699> (COc1ccccc1CNC(=O)n1ccnc1) is C12H13N3O2. | |
Describe the ring structures in building block <BB_2699>. | 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_2699>. | The molecule contains the following groups: Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2699>. | **Token:** <BB_2699>
**SMILES:** COc1ccccc1CNC(=O)n1ccnc1
**Molecular Formula:** C12H13N3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amide, Ether |
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