instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_2233>? | The molecular formula for <BB_2233> (CCOC(C#N)OCC) is C6H11NO2. | |
Describe the ring structures in building block <BB_2233>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2233>. | The molecule contains the following groups: Ether, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2233>. | **Token:** <BB_2233>
**SMILES:** CCOC(C#N)OCC
**Molecular Formula:** C6H11NO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ether, Nitrile | |
Provide the SMILES representation for the building block token <BB_2234>. | [N-]=[N+]=NC1CN(C(=O)OCc2ccccc2)C1 | |
What is the building block token for the following molecule? | [N-]=[N+]=NC1CN(C(=O)OCc2ccccc2)C1 | <BB_2234> |
What is the molecular formula for <BB_2234>? | The molecular formula for <BB_2234> ([N-]=[N+]=NC1CN(C(=O)OCc2ccccc2)C1) is C11H12N4O2. | |
Describe the ring structures in building block <BB_2234>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2234>. | The molecule contains the following groups: Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2234>. | **Token:** <BB_2234>
**SMILES:** [N-]=[N+]=NC1CN(C(=O)OCc2ccccc2)C1
**Molecular Formula:** C11H12N4O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 6.
**Functional Groups:** Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2235>. | O=c1cnc(-c2ccc(Cl)cc2)n[nH]1 | |
What is the building block token for the following molecule? | O=c1cnc(-c2ccc(Cl)cc2)n[nH]1 | <BB_2235> |
What is the molecular formula for <BB_2235>? | The molecular formula for <BB_2235> (O=c1cnc(-c2ccc(Cl)cc2)n[nH]1) is C9H6ClN3O. | |
Describe the ring structures in building block <BB_2235>. | 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_2235>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2235>. | **Token:** <BB_2235>
**SMILES:** O=c1cnc(-c2ccc(Cl)cc2)n[nH]1
**Molecular Formula:** C9H6ClN3O
**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) | |
Provide the SMILES representation for the building block token <BB_2236>. | Cl.c1nc2c(n1C1CC1)CCOC2 | |
What is the building block token for the following molecule? | Cl.c1nc2c(n1C1CC1)CCOC2 | <BB_2236> |
What is the molecular formula for <BB_2236>? | The molecular formula for <BB_2236> (Cl.c1nc2c(n1C1CC1)CCOC2) is C9H13ClN2O. | |
Describe the ring structures in building block <BB_2236>. | The molecule contains 3 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_2236>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2236>. | **Token:** <BB_2236>
**SMILES:** Cl.c1nc2c(n1C1CC1)CCOC2
**Molecular Formula:** C9H13ClN2O
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3, an aliphatic ring of size 6.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2237>. | CNC(=O)c1cc(N)ccc1F | |
What is the building block token for the following molecule? | CNC(=O)c1cc(N)ccc1F | <BB_2237> |
What is the molecular formula for <BB_2237>? | The molecular formula for <BB_2237> (CNC(=O)c1cc(N)ccc1F) is C8H9FN2O. | |
Describe the ring structures in building block <BB_2237>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2237>. | The molecule contains the following groups: Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2237>. | **Token:** <BB_2237>
**SMILES:** CNC(=O)c1cc(N)ccc1F
**Molecular Formula:** C8H9FN2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2238>. | CCOC(=O)c1cc(=O)[nH]c2nn(CC3CC3)cc12 | |
What is the building block token for the following molecule? | CCOC(=O)c1cc(=O)[nH]c2nn(CC3CC3)cc12 | <BB_2238> |
What is the molecular formula for <BB_2238>? | The molecular formula for <BB_2238> (CCOC(=O)c1cc(=O)[nH]c2nn(CC3CC3)cc12) is C13H15N3O3. | |
Describe the ring structures in building block <BB_2238>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_2238>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2238>. | **Token:** <BB_2238>
**SMILES:** CCOC(=O)c1cc(=O)[nH]c2nn(CC3CC3)cc12
**Molecular Formula:** C13H15N3O3
**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 3.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_2239>. | COCC(=O)NCC1CNCC12CCCCC2 | |
What is the building block token for the following molecule? | COCC(=O)NCC1CNCC12CCCCC2 | <BB_2239> |
What is the molecular formula for <BB_2239>? | The molecular formula for <BB_2239> (COCC(=O)NCC1CNCC12CCCCC2) is C13H24N2O2. | |
Describe the ring structures in building block <BB_2239>. | 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_2239>. | The molecule contains the following groups: Secondary Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2239>. | **Token:** <BB_2239>
**SMILES:** COCC(=O)NCC1CNCC12CCCCC2
**Molecular Formula:** C13H24N2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_2240>. | CC(C)(C#N)c1ccccc1O | |
What is the building block token for the following molecule? | CC(C)(C#N)c1ccccc1O | <BB_2240> |
What is the molecular formula for <BB_2240>? | The molecular formula for <BB_2240> (CC(C)(C#N)c1ccccc1O) is C10H11NO. | |
Describe the ring structures in building block <BB_2240>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2240>. | The molecule contains the following groups: Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_2240>. | **Token:** <BB_2240>
**SMILES:** CC(C)(C#N)c1ccccc1O
**Molecular Formula:** C10H11NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Nitrile | |
Provide the SMILES representation for the building block token <BB_2241>. | CC(=O)Cc1ccc(Cl)c(Cl)c1 | |
What is the building block token for the following molecule? | CC(=O)Cc1ccc(Cl)c(Cl)c1 | <BB_2241> |
What is the molecular formula for <BB_2241>? | The molecular formula for <BB_2241> (CC(=O)Cc1ccc(Cl)c(Cl)c1) is C9H8Cl2O. | |
Describe the ring structures in building block <BB_2241>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2241>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2241>. | **Token:** <BB_2241>
**SMILES:** CC(=O)Cc1ccc(Cl)c(Cl)c1
**Molecular Formula:** C9H8Cl2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2242>. | Cc1cccc(C)c1-n1nnnc1S | |
What is the building block token for the following molecule? | Cc1cccc(C)c1-n1nnnc1S | <BB_2242> |
What is the molecular formula for <BB_2242>? | The molecular formula for <BB_2242> (Cc1cccc(C)c1-n1nnnc1S) is C9H10N4S. | |
Describe the ring structures in building block <BB_2242>. | 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_2242>. | The molecule contains the following groups: Thiol. | |
Provide a comprehensive chemical profile for the building block <BB_2242>. | **Token:** <BB_2242>
**SMILES:** Cc1cccc(C)c1-n1nnnc1S
**Molecular Formula:** C9H10N4S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Thiol | |
Provide the SMILES representation for the building block token <BB_2243>. | CCOC(=O)/C=C/C(F)F | |
What is the building block token for the following molecule? | CCOC(=O)/C=C/C(F)F | <BB_2243> |
What is the molecular formula for <BB_2243>? | The molecular formula for <BB_2243> (CCOC(=O)/C=C/C(F)F) is C6H8F2O2. | |
Describe the ring structures in building block <BB_2243>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2243>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2243>. | **Token:** <BB_2243>
**SMILES:** CCOC(=O)/C=C/C(F)F
**Molecular Formula:** C6H8F2O2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2244>. | Fc1cc(F)c2ccccc2n1 | |
What is the building block token for the following molecule? | Fc1cc(F)c2ccccc2n1 | <BB_2244> |
What is the molecular formula for <BB_2244>? | The molecular formula for <BB_2244> (Fc1cc(F)c2ccccc2n1) is C9H5F2N. | |
Describe the ring structures in building block <BB_2244>. | 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_2244>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2244>. | **Token:** <BB_2244>
**SMILES:** Fc1cc(F)c2ccccc2n1
**Molecular Formula:** C9H5F2N
**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) | |
Provide the SMILES representation for the building block token <BB_2245>. | O=S(=O)(Cl)c1cccc2c(Cl)ccnc12 | |
What is the building block token for the following molecule? | O=S(=O)(Cl)c1cccc2c(Cl)ccnc12 | <BB_2245> |
What is the molecular formula for <BB_2245>? | The molecular formula for <BB_2245> (O=S(=O)(Cl)c1cccc2c(Cl)ccnc12) is C9H5Cl2NO2S. | |
Describe the ring structures in building block <BB_2245>. | 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_2245>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2245>. | **Token:** <BB_2245>
**SMILES:** O=S(=O)(Cl)c1cccc2c(Cl)ccnc12
**Molecular Formula:** C9H5Cl2NO2S
**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) | |
Provide the SMILES representation for the building block token <BB_2246>. | Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)Cl | |
What is the building block token for the following molecule? | Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)Cl | <BB_2246> |
What is the molecular formula for <BB_2246>? | The molecular formula for <BB_2246> (Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)Cl) is C8H7ClN2O3S. | |
Describe the ring structures in building block <BB_2246>. | 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_2246>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2246>. | **Token:** <BB_2246>
**SMILES:** Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)Cl
**Molecular Formula:** C8H7ClN2O3S
**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_2247>. | O=c1[nH]c(-c2ccsc2)nc2ccccc12 | |
What is the building block token for the following molecule? | O=c1[nH]c(-c2ccsc2)nc2ccccc12 | <BB_2247> |
What is the molecular formula for <BB_2247>? | The molecular formula for <BB_2247> (O=c1[nH]c(-c2ccsc2)nc2ccccc12) is C12H8N2OS. | |
Describe the ring structures in building block <BB_2247>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2247>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_2247>. | **Token:** <BB_2247>
**SMILES:** O=c1[nH]c(-c2ccsc2)nc2ccccc12
**Molecular Formula:** C12H8N2OS
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_2248>. | O=C(O)c1ccn(-c2ccc([N+](=O)[O-])cn2)n1 | |
What is the building block token for the following molecule? | O=C(O)c1ccn(-c2ccc([N+](=O)[O-])cn2)n1 | <BB_2248> |
What is the molecular formula for <BB_2248>? | The molecular formula for <BB_2248> (O=C(O)c1ccn(-c2ccc([N+](=O)[O-])cn2)n1) is C9H6N4O4. | |
Describe the ring structures in building block <BB_2248>. | 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_2248>. | The molecule contains the following groups: Carboxylic Acid, Tertiary Amine, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_2248>. | **Token:** <BB_2248>
**SMILES:** O=C(O)c1ccn(-c2ccc([N+](=O)[O-])cn2)n1
**Molecular Formula:** C9H6N4O4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Tertiary Amine, Nitro | |
Provide the SMILES representation for the building block token <BB_2249>. | Nc1ccccc1CN1CCC(O)CC1 | |
What is the building block token for the following molecule? | Nc1ccccc1CN1CCC(O)CC1 | <BB_2249> |
What is the molecular formula for <BB_2249>? | The molecular formula for <BB_2249> (Nc1ccccc1CN1CCC(O)CC1) is C12H18N2O. | |
Describe the ring structures in building block <BB_2249>. | 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_2249>. | The molecule contains the following groups: Amine, Tertiary Amine, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_2249>. | **Token:** <BB_2249>
**SMILES:** Nc1ccccc1CN1CCC(O)CC1
**Molecular Formula:** C12H18N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Alcohol |
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