instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_2183>? | The molecular formula for <BB_2183> (Cl.O=C(O)C(c1ccncc1)C1CCCCC1) is C13H18ClNO2. | |
Describe the ring structures in building block <BB_2183>. | 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_2183>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2183>. | **Token:** <BB_2183>
**SMILES:** Cl.O=C(O)C(c1ccncc1)C1CCCCC1
**Molecular Formula:** C13H18ClNO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2184>. | CCOC(=O)C(C)(N)Cc1ccccc1.Cl | |
What is the building block token for the following molecule? | CCOC(=O)C(C)(N)Cc1ccccc1.Cl | <BB_2184> |
What is the molecular formula for <BB_2184>? | The molecular formula for <BB_2184> (CCOC(=O)C(C)(N)Cc1ccccc1.Cl) is C12H18ClNO2. | |
Describe the ring structures in building block <BB_2184>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2184>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2184>. | **Token:** <BB_2184>
**SMILES:** CCOC(=O)C(C)(N)Cc1ccccc1.Cl
**Molecular Formula:** C12H18ClNO2
**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_2185>. | O=c1[nH]c2cc(Br)c(Cl)nc2[nH]1 | |
What is the building block token for the following molecule? | O=c1[nH]c2cc(Br)c(Cl)nc2[nH]1 | <BB_2185> |
What is the molecular formula for <BB_2185>? | The molecular formula for <BB_2185> (O=c1[nH]c2cc(Br)c(Cl)nc2[nH]1) is C6H3BrClN3O. | |
Describe the ring structures in building block <BB_2185>. | 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_2185>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2185>. | **Token:** <BB_2185>
**SMILES:** O=c1[nH]c2cc(Br)c(Cl)nc2[nH]1
**Molecular Formula:** C6H3BrClN3O
**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_2186>. | CC(=O)c1ccc(B(O)O)cc1F | |
What is the building block token for the following molecule? | CC(=O)c1ccc(B(O)O)cc1F | <BB_2186> |
What is the molecular formula for <BB_2186>? | The molecular formula for <BB_2186> (CC(=O)c1ccc(B(O)O)cc1F) is C8H8BFO3. | |
Describe the ring structures in building block <BB_2186>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2186>. | The molecule contains the following groups: Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2186>. | **Token:** <BB_2186>
**SMILES:** CC(=O)c1ccc(B(O)O)cc1F
**Molecular Formula:** C8H8BFO3
**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_2187>. | Cn1cc(S(=O)(=O)Cl)c(Br)n1 | |
What is the building block token for the following molecule? | Cn1cc(S(=O)(=O)Cl)c(Br)n1 | <BB_2187> |
What is the molecular formula for <BB_2187>? | The molecular formula for <BB_2187> (Cn1cc(S(=O)(=O)Cl)c(Br)n1) is C4H4BrClN2O2S. | |
Describe the ring structures in building block <BB_2187>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2187>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2187>. | **Token:** <BB_2187>
**SMILES:** Cn1cc(S(=O)(=O)Cl)c(Br)n1
**Molecular Formula:** C4H4BrClN2O2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2188>. | CC(O)C1CCC1 | |
What is the building block token for the following molecule? | CC(O)C1CCC1 | <BB_2188> |
What is the molecular formula for <BB_2188>? | The molecular formula for <BB_2188> (CC(O)C1CCC1) is C6H12O. | |
Describe the ring structures in building block <BB_2188>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_2188>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_2188>. | **Token:** <BB_2188>
**SMILES:** CC(O)C1CCC1
**Molecular Formula:** C6H12O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_2189>. | CNCC(COC)C(F)(F)F.Cl | |
What is the building block token for the following molecule? | CNCC(COC)C(F)(F)F.Cl | <BB_2189> |
What is the molecular formula for <BB_2189>? | The molecular formula for <BB_2189> (CNCC(COC)C(F)(F)F.Cl) is C6H13ClF3NO. | |
Describe the ring structures in building block <BB_2189>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2189>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2189>. | **Token:** <BB_2189>
**SMILES:** CNCC(COC)C(F)(F)F.Cl
**Molecular Formula:** C6H13ClF3NO
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2190>. | Cc1cc(CCl)ccc1C(C)C | |
What is the building block token for the following molecule? | Cc1cc(CCl)ccc1C(C)C | <BB_2190> |
What is the molecular formula for <BB_2190>? | The molecular formula for <BB_2190> (Cc1cc(CCl)ccc1C(C)C) is C11H15Cl. | |
Describe the ring structures in building block <BB_2190>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2190>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2190>. | **Token:** <BB_2190>
**SMILES:** Cc1cc(CCl)ccc1C(C)C
**Molecular Formula:** C11H15Cl
**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_2191>. | Cc1cccc2c1OC(C)(C)CCN2.Cl | |
What is the building block token for the following molecule? | Cc1cccc2c1OC(C)(C)CCN2.Cl | <BB_2191> |
What is the molecular formula for <BB_2191>? | The molecular formula for <BB_2191> (Cc1cccc2c1OC(C)(C)CCN2.Cl) is C12H18ClNO. | |
Describe the ring structures in building block <BB_2191>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 7. | |
List the primary functional groups present in <BB_2191>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2191>. | **Token:** <BB_2191>
**SMILES:** Cc1cccc2c1OC(C)(C)CCN2.Cl
**Molecular Formula:** C12H18ClNO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 7.
**Functional Groups:** Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2192>. | [N-]=[N+]=Nc1ccc(OC(F)(F)F)cc1Br | |
What is the building block token for the following molecule? | [N-]=[N+]=Nc1ccc(OC(F)(F)F)cc1Br | <BB_2192> |
What is the molecular formula for <BB_2192>? | The molecular formula for <BB_2192> ([N-]=[N+]=Nc1ccc(OC(F)(F)F)cc1Br) is C7H3BrF3N3O. | |
Describe the ring structures in building block <BB_2192>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2192>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2192>. | **Token:** <BB_2192>
**SMILES:** [N-]=[N+]=Nc1ccc(OC(F)(F)F)cc1Br
**Molecular Formula:** C7H3BrF3N3O
**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_2193>. | C#CCNC1CCNC1.Cl.Cl | |
What is the building block token for the following molecule? | C#CCNC1CCNC1.Cl.Cl | <BB_2193> |
What is the molecular formula for <BB_2193>? | The molecular formula for <BB_2193> (C#CCNC1CCNC1.Cl.Cl) is C7H14Cl2N2. | |
Describe the ring structures in building block <BB_2193>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2193>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2193>. | **Token:** <BB_2193>
**SMILES:** C#CCNC1CCNC1.Cl.Cl
**Molecular Formula:** C7H14Cl2N2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2194>. | O=C(O)c1ccc2c(c1)S(=O)(=O)N=CN2 | |
What is the building block token for the following molecule? | O=C(O)c1ccc2c(c1)S(=O)(=O)N=CN2 | <BB_2194> |
What is the molecular formula for <BB_2194>? | The molecular formula for <BB_2194> (O=C(O)c1ccc2c(c1)S(=O)(=O)N=CN2) is C8H6N2O4S. | |
Describe the ring structures in building block <BB_2194>. | 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_2194>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_2194>. | **Token:** <BB_2194>
**SMILES:** O=C(O)c1ccc2c(c1)S(=O)(=O)N=CN2
**Molecular Formula:** C8H6N2O4S
**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, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_2195>. | Cc1cc2c(cc1C)C(NC1CC1)CCCO2 | |
What is the building block token for the following molecule? | Cc1cc2c(cc1C)C(NC1CC1)CCCO2 | <BB_2195> |
What is the molecular formula for <BB_2195>? | The molecular formula for <BB_2195> (Cc1cc2c(cc1C)C(NC1CC1)CCCO2) is C15H21NO. | |
Describe the ring structures in building block <BB_2195>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3, an aliphatic ring of size 7. | |
List the primary functional groups present in <BB_2195>. | The molecule contains the following groups: Secondary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2195>. | **Token:** <BB_2195>
**SMILES:** Cc1cc2c(cc1C)C(NC1CC1)CCCO2
**Molecular Formula:** C15H21NO
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3, an aliphatic ring of size 7.
**Functional Groups:** Secondary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_2196>. | Cc1cncc(Br)c1N | |
What is the building block token for the following molecule? | Cc1cncc(Br)c1N | <BB_2196> |
What is the molecular formula for <BB_2196>? | The molecular formula for <BB_2196> (Cc1cncc(Br)c1N) is C6H7BrN2. | |
Describe the ring structures in building block <BB_2196>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2196>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2196>. | **Token:** <BB_2196>
**SMILES:** Cc1cncc(Br)c1N
**Molecular Formula:** C6H7BrN2
**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_2197>. | CN1C(=O)Cc2cc(Cl)ccc21 | |
What is the building block token for the following molecule? | CN1C(=O)Cc2cc(Cl)ccc21 | <BB_2197> |
What is the molecular formula for <BB_2197>? | The molecular formula for <BB_2197> (CN1C(=O)Cc2cc(Cl)ccc21) is C9H8ClNO. | |
Describe the ring structures in building block <BB_2197>. | 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_2197>. | The molecule contains the following groups: Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2197>. | **Token:** <BB_2197>
**SMILES:** CN1C(=O)Cc2cc(Cl)ccc21
**Molecular Formula:** C9H8ClNO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2198>. | CC(CO)CC(F)(F)F | |
What is the building block token for the following molecule? | CC(CO)CC(F)(F)F | <BB_2198> |
What is the molecular formula for <BB_2198>? | The molecular formula for <BB_2198> (CC(CO)CC(F)(F)F) is C5H9F3O. | |
Describe the ring structures in building block <BB_2198>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_2198>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2198>. | **Token:** <BB_2198>
**SMILES:** CC(CO)CC(F)(F)F
**Molecular Formula:** C5H9F3O
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2199>. | O=C(O)Cc1ccc(O)c(F)c1 | |
What is the building block token for the following molecule? | O=C(O)Cc1ccc(O)c(F)c1 | <BB_2199> |
What is the molecular formula for <BB_2199>? | The molecular formula for <BB_2199> (O=C(O)Cc1ccc(O)c(F)c1) is C8H7FO3. | |
Describe the ring structures in building block <BB_2199>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2199>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2199>. | **Token:** <BB_2199>
**SMILES:** O=C(O)Cc1ccc(O)c(F)c1
**Molecular Formula:** C8H7FO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) |
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