instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_700>. | C[Si]1(C)CCC(C(=O)O)(c2ccccc2)CC1 | |
What is the building block token for the following molecule? | C[Si]1(C)CCC(C(=O)O)(c2ccccc2)CC1 | <BB_700> |
What is the molecular formula for <BB_700>? | The molecular formula for <BB_700> (C[Si]1(C)CCC(C(=O)O)(c2ccccc2)CC1) is C14H20O2Si. | |
Describe the ring structures in building block <BB_700>. | 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_700>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_700>. | **Token:** <BB_700>
**SMILES:** C[Si]1(C)CCC(C(=O)O)(c2ccccc2)CC1
**Molecular Formula:** C14H20O2Si
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_701>. | Cc1cc(F)ccc1OC1CNC1.Cl | |
What is the building block token for the following molecule? | Cc1cc(F)ccc1OC1CNC1.Cl | <BB_701> |
What is the molecular formula for <BB_701>? | The molecular formula for <BB_701> (Cc1cc(F)ccc1OC1CNC1.Cl) is C10H13ClFNO. | |
Describe the ring structures in building block <BB_701>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_701>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_701>. | **Token:** <BB_701>
**SMILES:** Cc1cc(F)ccc1OC1CNC1.Cl
**Molecular Formula:** C10H13ClFNO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_702>. | CC(O)C1CCCCCC1 | |
What is the building block token for the following molecule? | CC(O)C1CCCCCC1 | <BB_702> |
What is the molecular formula for <BB_702>? | The molecular formula for <BB_702> (CC(O)C1CCCCCC1) is C9H18O. | |
Describe the ring structures in building block <BB_702>. | The molecule contains 1 ring(s): an aliphatic ring of size 7. | |
List the primary functional groups present in <BB_702>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_702>. | **Token:** <BB_702>
**SMILES:** CC(O)C1CCCCCC1
**Molecular Formula:** C9H18O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 7.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_703>. | Cl.OC1CNCCC12CC2 | |
What is the building block token for the following molecule? | Cl.OC1CNCCC12CC2 | <BB_703> |
What is the molecular formula for <BB_703>? | The molecular formula for <BB_703> (Cl.OC1CNCCC12CC2) is C7H14ClNO. | |
Describe the ring structures in building block <BB_703>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_703>. | The molecule contains the following groups: Secondary Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_703>. | **Token:** <BB_703>
**SMILES:** Cl.OC1CNCCC12CC2
**Molecular Formula:** C7H14ClNO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Secondary Amine, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_704>. | Cl.NCC(F)(F)c1ccccc1C(F)(F)F | |
What is the building block token for the following molecule? | Cl.NCC(F)(F)c1ccccc1C(F)(F)F | <BB_704> |
What is the molecular formula for <BB_704>? | The molecular formula for <BB_704> (Cl.NCC(F)(F)c1ccccc1C(F)(F)F) is C9H9ClF5N. | |
Describe the ring structures in building block <BB_704>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_704>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_704>. | **Token:** <BB_704>
**SMILES:** Cl.NCC(F)(F)c1ccccc1C(F)(F)F
**Molecular Formula:** C9H9ClF5N
**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_705>. | O=C(O)C(F)(F)c1csc(-c2ncc(Cl)cc2F)n1 | |
What is the building block token for the following molecule? | O=C(O)C(F)(F)c1csc(-c2ncc(Cl)cc2F)n1 | <BB_705> |
What is the molecular formula for <BB_705>? | The molecular formula for <BB_705> (O=C(O)C(F)(F)c1csc(-c2ncc(Cl)cc2F)n1) is C10H4ClF3N2O2S. | |
Describe the ring structures in building block <BB_705>. | 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_705>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_705>. | **Token:** <BB_705>
**SMILES:** O=C(O)C(F)(F)c1csc(-c2ncc(Cl)cc2F)n1
**Molecular Formula:** C10H4ClF3N2O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, 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_706>. | CC(Cl)C(=O)N1CCSc2ccccc21 | |
What is the building block token for the following molecule? | CC(Cl)C(=O)N1CCSc2ccccc21 | <BB_706> |
What is the molecular formula for <BB_706>? | The molecular formula for <BB_706> (CC(Cl)C(=O)N1CCSc2ccccc21) is C11H12ClNOS. | |
Describe the ring structures in building block <BB_706>. | 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_706>. | The molecule contains the following groups: Amide, Sulfide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_706>. | **Token:** <BB_706>
**SMILES:** CC(Cl)C(=O)N1CCSc2ccccc21
**Molecular Formula:** C11H12ClNOS
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amide, Sulfide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_707>. | CC1(C)C(N)C1(C)C.Cl | |
What is the building block token for the following molecule? | CC1(C)C(N)C1(C)C.Cl | <BB_707> |
What is the molecular formula for <BB_707>? | The molecular formula for <BB_707> (CC1(C)C(N)C1(C)C.Cl) is C7H16ClN. | |
Describe the ring structures in building block <BB_707>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_707>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_707>. | **Token:** <BB_707>
**SMILES:** CC1(C)C(N)C1(C)C.Cl
**Molecular Formula:** C7H16ClN
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_708>. | O=Cc1ccc2c(C(=O)O)n[nH]c2c1 | |
What is the building block token for the following molecule? | O=Cc1ccc2c(C(=O)O)n[nH]c2c1 | <BB_708> |
What is the molecular formula for <BB_708>? | The molecular formula for <BB_708> (O=Cc1ccc2c(C(=O)O)n[nH]c2c1) is C9H6N2O3. | |
Describe the ring structures in building block <BB_708>. | 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_708>. | The molecule contains the following groups: Carboxylic Acid, Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_708>. | **Token:** <BB_708>
**SMILES:** O=Cc1ccc2c(C(=O)O)n[nH]c2c1
**Molecular Formula:** C9H6N2O3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Aldehyde | |
Provide the SMILES representation for the building block token <BB_709>. | COC(=O)c1c(N)ccc(F)c1F.Cl | |
What is the building block token for the following molecule? | COC(=O)c1c(N)ccc(F)c1F.Cl | <BB_709> |
What is the molecular formula for <BB_709>? | The molecular formula for <BB_709> (COC(=O)c1c(N)ccc(F)c1F.Cl) is C8H8ClF2NO2. | |
Describe the ring structures in building block <BB_709>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_709>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_709>. | **Token:** <BB_709>
**SMILES:** COC(=O)c1c(N)ccc(F)c1F.Cl
**Molecular Formula:** C8H8ClF2NO2
**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_710>. | COC(=O)c1cnc(CN)s1.Cl | |
What is the building block token for the following molecule? | COC(=O)c1cnc(CN)s1.Cl | <BB_710> |
What is the molecular formula for <BB_710>? | The molecular formula for <BB_710> (COC(=O)c1cnc(CN)s1.Cl) is C6H9ClN2O2S. | |
Describe the ring structures in building block <BB_710>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_710>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_710>. | **Token:** <BB_710>
**SMILES:** COC(=O)c1cnc(CN)s1.Cl
**Molecular Formula:** C6H9ClN2O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_711>. | Cl.NCCN1C(=O)C=CC1=O | |
What is the building block token for the following molecule? | Cl.NCCN1C(=O)C=CC1=O | <BB_711> |
What is the molecular formula for <BB_711>? | The molecular formula for <BB_711> (Cl.NCCN1C(=O)C=CC1=O) is C6H9ClN2O2. | |
Describe the ring structures in building block <BB_711>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_711>. | The molecule contains the following groups: Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_711>. | **Token:** <BB_711>
**SMILES:** Cl.NCCN1C(=O)C=CC1=O
**Molecular Formula:** C6H9ClN2O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_712>. | CCCCCCCCC(=O)O | |
What is the building block token for the following molecule? | CCCCCCCCC(=O)O | <BB_712> |
What is the molecular formula for <BB_712>? | The molecular formula for <BB_712> (CCCCCCCCC(=O)O) is C9H18O2. | |
Describe the ring structures in building block <BB_712>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_712>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_712>. | **Token:** <BB_712>
**SMILES:** CCCCCCCCC(=O)O
**Molecular Formula:** C9H18O2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_713>. | Nc1nnc(-c2ccccc2Cl)s1 | |
What is the building block token for the following molecule? | Nc1nnc(-c2ccccc2Cl)s1 | <BB_713> |
What is the molecular formula for <BB_713>? | The molecular formula for <BB_713> (Nc1nnc(-c2ccccc2Cl)s1) is C8H6ClN3S. | |
Describe the ring structures in building block <BB_713>. | 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_713>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_713>. | **Token:** <BB_713>
**SMILES:** Nc1nnc(-c2ccccc2Cl)s1
**Molecular Formula:** C8H6ClN3S
**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_714>. | N#CCC(=O)c1ccc(I)cc1 | |
What is the building block token for the following molecule? | N#CCC(=O)c1ccc(I)cc1 | <BB_714> |
What is the molecular formula for <BB_714>? | The molecular formula for <BB_714> (N#CCC(=O)c1ccc(I)cc1) is C9H6INO. | |
Describe the ring structures in building block <BB_714>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_714>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_714>. | **Token:** <BB_714>
**SMILES:** N#CCC(=O)c1ccc(I)cc1
**Molecular Formula:** C9H6INO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ketone, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_715>. | CN(C)c1ccc(C=C2NC(=S)NC2=O)cc1 | |
What is the building block token for the following molecule? | CN(C)c1ccc(C=C2NC(=S)NC2=O)cc1 | <BB_715> |
What is the molecular formula for <BB_715>? | The molecular formula for <BB_715> (CN(C)c1ccc(C=C2NC(=S)NC2=O)cc1) is C12H13N3OS. | |
Describe the ring structures in building block <BB_715>. | 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_715>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_715>. | **Token:** <BB_715>
**SMILES:** CN(C)c1ccc(C=C2NC(=S)NC2=O)cc1
**Molecular Formula:** C12H13N3OS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Tertiary Amine, Amide | |
Provide the SMILES representation for the building block token <BB_716>. | O=C(O)c1ccccc1CS(=O)(=O)c1ccccc1 | |
What is the building block token for the following molecule? | O=C(O)c1ccccc1CS(=O)(=O)c1ccccc1 | <BB_716> |
What is the molecular formula for <BB_716>? | The molecular formula for <BB_716> (O=C(O)c1ccccc1CS(=O)(=O)c1ccccc1) is C14H12O4S. | |
Describe the ring structures in building block <BB_716>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6. |
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