instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_600>. | FC(F)(F)c1ncnc(Cl)c1Br | |
What is the building block token for the following molecule? | FC(F)(F)c1ncnc(Cl)c1Br | <BB_600> |
What is the molecular formula for <BB_600>? | The molecular formula for <BB_600> (FC(F)(F)c1ncnc(Cl)c1Br) is C5HBrClF3N2. | |
Describe the ring structures in building block <BB_600>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_600>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_600>. | **Token:** <BB_600>
**SMILES:** FC(F)(F)c1ncnc(Cl)c1Br
**Molecular Formula:** C5HBrClF3N2
**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_601>. | Cc1ccc(C(=O)O)c2c1CNCC2.Cl | |
What is the building block token for the following molecule? | Cc1ccc(C(=O)O)c2c1CNCC2.Cl | <BB_601> |
What is the molecular formula for <BB_601>? | The molecular formula for <BB_601> (Cc1ccc(C(=O)O)c2c1CNCC2.Cl) is C11H14ClNO2. | |
Describe the ring structures in building block <BB_601>. | 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_601>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_601>. | **Token:** <BB_601>
**SMILES:** Cc1ccc(C(=O)O)c2c1CNCC2.Cl
**Molecular Formula:** C11H14ClNO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_602>. | Cl.NC(Cc1ccnc(S)c1)C(=O)O | |
What is the building block token for the following molecule? | Cl.NC(Cc1ccnc(S)c1)C(=O)O | <BB_602> |
What is the molecular formula for <BB_602>? | The molecular formula for <BB_602> (Cl.NC(Cc1ccnc(S)c1)C(=O)O) is C8H11ClN2O2S. | |
Describe the ring structures in building block <BB_602>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_602>. | The molecule contains the following groups: Carboxylic Acid, Amine, Thiol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_602>. | **Token:** <BB_602>
**SMILES:** Cl.NC(Cc1ccnc(S)c1)C(=O)O
**Molecular Formula:** C8H11ClN2O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine, Thiol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_603>. | Cc1sc(Br)c(C)c1C(=O)O | |
What is the building block token for the following molecule? | Cc1sc(Br)c(C)c1C(=O)O | <BB_603> |
What is the molecular formula for <BB_603>? | The molecular formula for <BB_603> (Cc1sc(Br)c(C)c1C(=O)O) is C7H7BrO2S. | |
Describe the ring structures in building block <BB_603>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_603>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_603>. | **Token:** <BB_603>
**SMILES:** Cc1sc(Br)c(C)c1C(=O)O
**Molecular Formula:** C7H7BrO2S
**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_604>. | Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1.N[n+]1ccsc1 | |
What is the building block token for the following molecule? | Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1.N[n+]1ccsc1 | <BB_604> |
What is the molecular formula for <BB_604>? | The molecular formula for <BB_604> (Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1.N[n+]1ccsc1) is C12H16N2O3S2. | |
Describe the ring structures in building block <BB_604>. | 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_604>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_604>. | **Token:** <BB_604>
**SMILES:** Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1.N[n+]1ccsc1
**Molecular Formula:** C12H16N2O3S2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_605>. | Cc1ccc(OCCBr)cc1 | |
What is the building block token for the following molecule? | Cc1ccc(OCCBr)cc1 | <BB_605> |
What is the molecular formula for <BB_605>? | The molecular formula for <BB_605> (Cc1ccc(OCCBr)cc1) is C9H11BrO. | |
Describe the ring structures in building block <BB_605>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_605>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_605>. | **Token:** <BB_605>
**SMILES:** Cc1ccc(OCCBr)cc1
**Molecular Formula:** C9H11BrO
**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_606>. | Ic1c[nH]c2cncnc12 | |
What is the building block token for the following molecule? | Ic1c[nH]c2cncnc12 | <BB_606> |
What is the molecular formula for <BB_606>? | The molecular formula for <BB_606> (Ic1c[nH]c2cncnc12) is C6H4IN3. | |
Describe the ring structures in building block <BB_606>. | 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_606>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_606>. | **Token:** <BB_606>
**SMILES:** Ic1c[nH]c2cncnc12
**Molecular Formula:** C6H4IN3
**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_607>. | O=C(O)[C@@H]1CCCN1C(=O)OCc1ccccc1 | |
What is the building block token for the following molecule? | O=C(O)[C@@H]1CCCN1C(=O)OCc1ccccc1 | <BB_607> |
What is the molecular formula for <BB_607>? | The molecular formula for <BB_607> (O=C(O)[C@@H]1CCCN1C(=O)OCc1ccccc1) is C13H15NO4. | |
Describe the ring structures in building block <BB_607>. | 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_607>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_607>. | **Token:** <BB_607>
**SMILES:** O=C(O)[C@@H]1CCCN1C(=O)OCc1ccccc1
**Molecular Formula:** C13H15NO4
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_608>. | CCCC[Sn](CCCC)(CCCC)c1ccnnc1 | |
What is the building block token for the following molecule? | CCCC[Sn](CCCC)(CCCC)c1ccnnc1 | <BB_608> |
What is the molecular formula for <BB_608>? | The molecular formula for <BB_608> (CCCC[Sn](CCCC)(CCCC)c1ccnnc1) is C16H30N2Sn. | |
Describe the ring structures in building block <BB_608>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_608>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_608>. | **Token:** <BB_608>
**SMILES:** CCCC[Sn](CCCC)(CCCC)c1ccnnc1
**Molecular Formula:** C16H30N2Sn
**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_609>. | CC(C)(C)OC(=O)C1(C)CCNCC1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)C1(C)CCNCC1 | <BB_609> |
What is the molecular formula for <BB_609>? | The molecular formula for <BB_609> (CC(C)(C)OC(=O)C1(C)CCNCC1) is C11H21NO2. | |
Describe the ring structures in building block <BB_609>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_609>. | The molecule contains the following groups: Secondary Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_609>. | **Token:** <BB_609>
**SMILES:** CC(C)(C)OC(=O)C1(C)CCNCC1
**Molecular Formula:** C11H21NO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_610>. | CC1CCCN(Cc2ccccc2CN)C1 | |
What is the building block token for the following molecule? | CC1CCCN(Cc2ccccc2CN)C1 | <BB_610> |
What is the molecular formula for <BB_610>? | The molecular formula for <BB_610> (CC1CCCN(Cc2ccccc2CN)C1) is C14H22N2. | |
Describe the ring structures in building block <BB_610>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_610>. | The molecule contains the following groups: Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_610>. | **Token:** <BB_610>
**SMILES:** CC1CCCN(Cc2ccccc2CN)C1
**Molecular Formula:** C14H22N2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_611>. | Cc1ccccc1-c1noc(C)c1C(=O)O | |
What is the building block token for the following molecule? | Cc1ccccc1-c1noc(C)c1C(=O)O | <BB_611> |
What is the molecular formula for <BB_611>? | The molecular formula for <BB_611> (Cc1ccccc1-c1noc(C)c1C(=O)O) is C12H11NO3. | |
Describe the ring structures in building block <BB_611>. | 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_611>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_611>. | **Token:** <BB_611>
**SMILES:** Cc1ccccc1-c1noc(C)c1C(=O)O
**Molecular Formula:** C12H11NO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_612>. | COC(=O)CC(C)(F)F | |
What is the building block token for the following molecule? | COC(=O)CC(C)(F)F | <BB_612> |
What is the molecular formula for <BB_612>? | The molecular formula for <BB_612> (COC(=O)CC(C)(F)F) is C5H8F2O2. | |
Describe the ring structures in building block <BB_612>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_612>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_612>. | **Token:** <BB_612>
**SMILES:** COC(=O)CC(C)(F)F
**Molecular Formula:** C5H8F2O2
**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_613>. | COC(=O)C(C#N)c1ccccc1 | |
What is the building block token for the following molecule? | COC(=O)C(C#N)c1ccccc1 | <BB_613> |
What is the molecular formula for <BB_613>? | The molecular formula for <BB_613> (COC(=O)C(C#N)c1ccccc1) is C10H9NO2. | |
Describe the ring structures in building block <BB_613>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_613>. | The molecule contains the following groups: Ester, Ether, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_613>. | **Token:** <BB_613>
**SMILES:** COC(=O)C(C#N)c1ccccc1
**Molecular Formula:** C10H9NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Ether, Nitrile | |
Provide the SMILES representation for the building block token <BB_614>. | C[Si](C)(C)C1(CO)CC1 | |
What is the building block token for the following molecule? | C[Si](C)(C)C1(CO)CC1 | <BB_614> |
What is the molecular formula for <BB_614>? | The molecular formula for <BB_614> (C[Si](C)(C)C1(CO)CC1) is C7H16OSi. | |
Describe the ring structures in building block <BB_614>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_614>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_614>. | **Token:** <BB_614>
**SMILES:** C[Si](C)(C)C1(CO)CC1
**Molecular Formula:** C7H16OSi
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_615>. | CC(C)(C)OC(=O)N1CC(C(=O)O)CC12CCC2 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CC(C(=O)O)CC12CCC2 | <BB_615> |
What is the molecular formula for <BB_615>? | The molecular formula for <BB_615> (CC(C)(C)OC(=O)N1CC(C(=O)O)CC12CCC2) is C13H21NO4. | |
Describe the ring structures in building block <BB_615>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_615>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_615>. | **Token:** <BB_615>
**SMILES:** CC(C)(C)OC(=O)N1CC(C(=O)O)CC12CCC2
**Molecular Formula:** C13H21NO4
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_616>. | Cl.Nc1cccc(F)c1OC(F)(F)F | |
What is the building block token for the following molecule? | Cl.Nc1cccc(F)c1OC(F)(F)F | <BB_616> |
What is the molecular formula for <BB_616>? | The molecular formula for <BB_616> (Cl.Nc1cccc(F)c1OC(F)(F)F) is C7H6ClF4NO. | |
Describe the ring structures in building block <BB_616>. | The molecule contains 1 ring(s): an aromatic ring of size 6. |
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