instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_3033>? | The molecular formula for <BB_3033> (CCOC(=O)CCC(=O)C(F)(F)F) is C7H9F3O3. | |
Describe the ring structures in building block <BB_3033>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_3033>. | The molecule contains the following groups: Ester, Ketone, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3033>. | **Token:** <BB_3033>
**SMILES:** CCOC(=O)CCC(=O)C(F)(F)F
**Molecular Formula:** C7H9F3O3
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ester, Ketone, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3034>. | COC(=O)c1cccc2c(C(=O)O)c[nH]c12 | |
What is the building block token for the following molecule? | COC(=O)c1cccc2c(C(=O)O)c[nH]c12 | <BB_3034> |
What is the molecular formula for <BB_3034>? | The molecular formula for <BB_3034> (COC(=O)c1cccc2c(C(=O)O)c[nH]c12) is C11H9NO4. | |
Describe the ring structures in building block <BB_3034>. | 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_3034>. | The molecule contains the following groups: Carboxylic Acid, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_3034>. | **Token:** <BB_3034>
**SMILES:** COC(=O)c1cccc2c(C(=O)O)c[nH]c12
**Molecular Formula:** C11H9NO4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_3035>. | COc1ccc(Cn2[nH]ccc2=N)c(OC)c1 | |
What is the building block token for the following molecule? | COc1ccc(Cn2[nH]ccc2=N)c(OC)c1 | <BB_3035> |
What is the molecular formula for <BB_3035>? | The molecular formula for <BB_3035> (COc1ccc(Cn2[nH]ccc2=N)c(OC)c1) is C12H15N3O2. | |
Describe the ring structures in building block <BB_3035>. | 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_3035>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_3035>. | **Token:** <BB_3035>
**SMILES:** COc1ccc(Cn2[nH]ccc2=N)c(OC)c1
**Molecular Formula:** C12H15N3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_3036>. | COCC1(C(=O)O)CCCO1 | |
What is the building block token for the following molecule? | COCC1(C(=O)O)CCCO1 | <BB_3036> |
What is the molecular formula for <BB_3036>? | The molecular formula for <BB_3036> (COCC1(C(=O)O)CCCO1) is C7H12O4. | |
Describe the ring structures in building block <BB_3036>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_3036>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_3036>. | **Token:** <BB_3036>
**SMILES:** COCC1(C(=O)O)CCCO1
**Molecular Formula:** C7H12O4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_3037>. | O=NN1CC(O)C1 | |
What is the building block token for the following molecule? | O=NN1CC(O)C1 | <BB_3037> |
What is the molecular formula for <BB_3037>? | The molecular formula for <BB_3037> (O=NN1CC(O)C1) is C3H6N2O2. | |
Describe the ring structures in building block <BB_3037>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_3037>. | The molecule contains the following groups: Tertiary Amine, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_3037>. | **Token:** <BB_3037>
**SMILES:** O=NN1CC(O)C1
**Molecular Formula:** C3H6N2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Tertiary Amine, Alcohol | |
Provide the SMILES representation for the building block token <BB_3038>. | COc1cc(C(=O)[O-])no1.[Na+] | |
What is the building block token for the following molecule? | COc1cc(C(=O)[O-])no1.[Na+] | <BB_3038> |
What is the molecular formula for <BB_3038>? | The molecular formula for <BB_3038> (COc1cc(C(=O)[O-])no1.[Na+]) is C5H4NNaO4. | |
Describe the ring structures in building block <BB_3038>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_3038>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_3038>. | **Token:** <BB_3038>
**SMILES:** COc1cc(C(=O)[O-])no1.[Na+]
**Molecular Formula:** C5H4NNaO4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_3039>. | Nc1cc(Cl)cnn1 | |
What is the building block token for the following molecule? | Nc1cc(Cl)cnn1 | <BB_3039> |
What is the molecular formula for <BB_3039>? | The molecular formula for <BB_3039> (Nc1cc(Cl)cnn1) is C4H4ClN3. | |
Describe the ring structures in building block <BB_3039>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3039>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3039>. | **Token:** <BB_3039>
**SMILES:** Nc1cc(Cl)cnn1
**Molecular Formula:** C4H4ClN3
**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_3040>. | Nc1ccnn1-c1ccc(F)cc1 | |
What is the building block token for the following molecule? | Nc1ccnn1-c1ccc(F)cc1 | <BB_3040> |
What is the molecular formula for <BB_3040>? | The molecular formula for <BB_3040> (Nc1ccnn1-c1ccc(F)cc1) is C9H8FN3. | |
Describe the ring structures in building block <BB_3040>. | 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_3040>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3040>. | **Token:** <BB_3040>
**SMILES:** Nc1ccnn1-c1ccc(F)cc1
**Molecular Formula:** C9H8FN3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3041>. | Cc1ccc(CN)cc1B1OC(C)(C)C(C)(C)O1.Cl | |
What is the building block token for the following molecule? | Cc1ccc(CN)cc1B1OC(C)(C)C(C)(C)O1.Cl | <BB_3041> |
What is the molecular formula for <BB_3041>? | The molecular formula for <BB_3041> (Cc1ccc(CN)cc1B1OC(C)(C)C(C)(C)O1.Cl) is C14H23BClNO2. | |
Describe the ring structures in building block <BB_3041>. | 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_3041>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3041>. | **Token:** <BB_3041>
**SMILES:** Cc1ccc(CN)cc1B1OC(C)(C)C(C)(C)O1.Cl
**Molecular Formula:** C14H23BClNO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3042>. | COC(=O)c1cccc(N)c1N | |
What is the building block token for the following molecule? | COC(=O)c1cccc(N)c1N | <BB_3042> |
What is the molecular formula for <BB_3042>? | The molecular formula for <BB_3042> (COC(=O)c1cccc(N)c1N) is C8H10N2O2. | |
Describe the ring structures in building block <BB_3042>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3042>. | The molecule contains the following groups: Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_3042>. | **Token:** <BB_3042>
**SMILES:** COC(=O)c1cccc(N)c1N
**Molecular Formula:** C8H10N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_3043>. | Cc1c(Br)cc([N+](=O)[O-])cc1C(F)(F)F | |
What is the building block token for the following molecule? | Cc1c(Br)cc([N+](=O)[O-])cc1C(F)(F)F | <BB_3043> |
What is the molecular formula for <BB_3043>? | The molecular formula for <BB_3043> (Cc1c(Br)cc([N+](=O)[O-])cc1C(F)(F)F) is C8H5BrF3NO2. | |
Describe the ring structures in building block <BB_3043>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3043>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_3043>. | **Token:** <BB_3043>
**SMILES:** Cc1c(Br)cc([N+](=O)[O-])cc1C(F)(F)F
**Molecular Formula:** C8H5BrF3NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_3044>. | CC1(C)OB(c2cc(F)ccc2[N+](=O)[O-])OC1(C)C | |
What is the building block token for the following molecule? | CC1(C)OB(c2cc(F)ccc2[N+](=O)[O-])OC1(C)C | <BB_3044> |
What is the molecular formula for <BB_3044>? | The molecular formula for <BB_3044> (CC1(C)OB(c2cc(F)ccc2[N+](=O)[O-])OC1(C)C) is C12H15BFNO4. | |
Describe the ring structures in building block <BB_3044>. | 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_3044>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_3044>. | **Token:** <BB_3044>
**SMILES:** CC1(C)OB(c2cc(F)ccc2[N+](=O)[O-])OC1(C)C
**Molecular Formula:** C12H15BFNO4
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_3045>. | CCC=C(F)C(=O)O | |
What is the building block token for the following molecule? | CCC=C(F)C(=O)O | <BB_3045> |
What is the molecular formula for <BB_3045>? | The molecular formula for <BB_3045> (CCC=C(F)C(=O)O) is C5H7FO2. | |
Describe the ring structures in building block <BB_3045>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_3045>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3045>. | **Token:** <BB_3045>
**SMILES:** CCC=C(F)C(=O)O
**Molecular Formula:** C5H7FO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3046>. | CC(N)(C(=O)O)c1ccccc1Br.Cl | |
What is the building block token for the following molecule? | CC(N)(C(=O)O)c1ccccc1Br.Cl | <BB_3046> |
What is the molecular formula for <BB_3046>? | The molecular formula for <BB_3046> (CC(N)(C(=O)O)c1ccccc1Br.Cl) is C9H11BrClNO2. | |
Describe the ring structures in building block <BB_3046>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3046>. | The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3046>. | **Token:** <BB_3046>
**SMILES:** CC(N)(C(=O)O)c1ccccc1Br.Cl
**Molecular Formula:** C9H11BrClNO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3047>. | CCc1ccc(O)cc1O | |
What is the building block token for the following molecule? | CCc1ccc(O)cc1O | <BB_3047> |
What is the molecular formula for <BB_3047>? | The molecular formula for <BB_3047> (CCc1ccc(O)cc1O) is C8H10O2. | |
Describe the ring structures in building block <BB_3047>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3047>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_3047>. | **Token:** <BB_3047>
**SMILES:** CCc1ccc(O)cc1O
**Molecular Formula:** C8H10O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_3048>. | O=C(O)c1ccc2nc(N3CCNCC3)oc2c1 | |
What is the building block token for the following molecule? | O=C(O)c1ccc2nc(N3CCNCC3)oc2c1 | <BB_3048> |
What is the molecular formula for <BB_3048>? | The molecular formula for <BB_3048> (O=C(O)c1ccc2nc(N3CCNCC3)oc2c1) is C12H13N3O3. | |
Describe the ring structures in building block <BB_3048>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_3048>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_3048>. | **Token:** <BB_3048>
**SMILES:** O=C(O)c1ccc2nc(N3CCNCC3)oc2c1
**Molecular Formula:** C12H13N3O3
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_3049>. | O=c1[nH]cnc2cc(F)c(Cl)cc12 | |
What is the building block token for the following molecule? | O=c1[nH]cnc2cc(F)c(Cl)cc12 | <BB_3049> |
What is the molecular formula for <BB_3049>? | The molecular formula for <BB_3049> (O=c1[nH]cnc2cc(F)c(Cl)cc12) is C8H4ClFN2O. | |
Describe the ring structures in building block <BB_3049>. | 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_3049>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3049>. | **Token:** <BB_3049>
**SMILES:** O=c1[nH]cnc2cc(F)c(Cl)cc12
**Molecular Formula:** C8H4ClFN2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) |
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