instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_9500>. | CN1Cc2ccccc2C(N)C1 | |
What is the building block token for the following molecule? | CN1Cc2ccccc2C(N)C1 | <BB_9500> |
What is the molecular formula for <BB_9500>? | The molecular formula for <BB_9500> (CN1Cc2ccccc2C(N)C1) is C10H14N2. | |
Describe the ring structures in building block <BB_9500>. | 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_9500>. | The molecule contains the following groups: Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9500>. | **Token:** <BB_9500>
**SMILES:** CN1Cc2ccccc2C(N)C1
**Molecular Formula:** C10H14N2
**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_9501>. | O=c1[nH]cc(I)c(=O)[nH]1 | |
What is the building block token for the following molecule? | O=c1[nH]cc(I)c(=O)[nH]1 | <BB_9501> |
What is the molecular formula for <BB_9501>? | The molecular formula for <BB_9501> (O=c1[nH]cc(I)c(=O)[nH]1) is C4H3IN2O2. | |
Describe the ring structures in building block <BB_9501>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9501>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9501>. | **Token:** <BB_9501>
**SMILES:** O=c1[nH]cc(I)c(=O)[nH]1
**Molecular Formula:** C4H3IN2O2
**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_9502>. | COC(=O)c1ccc(-n2c(C)ccc2C)s1 | |
What is the building block token for the following molecule? | COC(=O)c1ccc(-n2c(C)ccc2C)s1 | <BB_9502> |
What is the molecular formula for <BB_9502>? | The molecular formula for <BB_9502> (COC(=O)c1ccc(-n2c(C)ccc2C)s1) is C12H13NO2S. | |
Describe the ring structures in building block <BB_9502>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9502>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9502>. | **Token:** <BB_9502>
**SMILES:** COC(=O)c1ccc(-n2c(C)ccc2C)s1
**Molecular Formula:** C12H13NO2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_9503>. | COc1ccc2ccc(OC)cc2c1 | |
What is the building block token for the following molecule? | COc1ccc2ccc(OC)cc2c1 | <BB_9503> |
What is the molecular formula for <BB_9503>? | The molecular formula for <BB_9503> (COc1ccc2ccc(OC)cc2c1) is C12H12O2. | |
Describe the ring structures in building block <BB_9503>. | 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_9503>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9503>. | **Token:** <BB_9503>
**SMILES:** COc1ccc2ccc(OC)cc2c1
**Molecular Formula:** C12H12O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_9504>. | CN(Cc1cccc2ccccc12)N=O | |
What is the building block token for the following molecule? | CN(Cc1cccc2ccccc12)N=O | <BB_9504> |
What is the molecular formula for <BB_9504>? | The molecular formula for <BB_9504> (CN(Cc1cccc2ccccc12)N=O) is C12H12N2O. | |
Describe the ring structures in building block <BB_9504>. | 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_9504>. | The molecule contains the following groups: Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9504>. | **Token:** <BB_9504>
**SMILES:** CN(Cc1cccc2ccccc12)N=O
**Molecular Formula:** C12H12N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_9505>. | O=NN1CCN(c2ccccn2)CC1 | |
What is the building block token for the following molecule? | O=NN1CCN(c2ccccn2)CC1 | <BB_9505> |
What is the molecular formula for <BB_9505>? | The molecular formula for <BB_9505> (O=NN1CCN(c2ccccn2)CC1) is C9H12N4O. | |
Describe the ring structures in building block <BB_9505>. | 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_9505>. | The molecule contains the following groups: Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9505>. | **Token:** <BB_9505>
**SMILES:** O=NN1CCN(c2ccccn2)CC1
**Molecular Formula:** C9H12N4O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_9506>. | Nc1ccnc(F)n1 | |
What is the building block token for the following molecule? | Nc1ccnc(F)n1 | <BB_9506> |
What is the molecular formula for <BB_9506>? | The molecular formula for <BB_9506> (Nc1ccnc(F)n1) is C4H4FN3. | |
Describe the ring structures in building block <BB_9506>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9506>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9506>. | **Token:** <BB_9506>
**SMILES:** Nc1ccnc(F)n1
**Molecular Formula:** C4H4FN3
**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_9507>. | O=S(=O)(Cl)c1ccc(C(F)F)cc1Cl | |
What is the building block token for the following molecule? | O=S(=O)(Cl)c1ccc(C(F)F)cc1Cl | <BB_9507> |
What is the molecular formula for <BB_9507>? | The molecular formula for <BB_9507> (O=S(=O)(Cl)c1ccc(C(F)F)cc1Cl) is C7H4Cl2F2O2S. | |
Describe the ring structures in building block <BB_9507>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9507>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9507>. | **Token:** <BB_9507>
**SMILES:** O=S(=O)(Cl)c1ccc(C(F)F)cc1Cl
**Molecular Formula:** C7H4Cl2F2O2S
**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_9508>. | Nc1ccc(-c2nnn[nH]2)cc1 | |
What is the building block token for the following molecule? | Nc1ccc(-c2nnn[nH]2)cc1 | <BB_9508> |
What is the molecular formula for <BB_9508>? | The molecular formula for <BB_9508> (Nc1ccc(-c2nnn[nH]2)cc1) is C7H7N5. | |
Describe the ring structures in building block <BB_9508>. | 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_9508>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9508>. | **Token:** <BB_9508>
**SMILES:** Nc1ccc(-c2nnn[nH]2)cc1
**Molecular Formula:** C7H7N5
**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_9509>. | Cc1nn(C)c(C(N)=O)c1N | |
What is the building block token for the following molecule? | Cc1nn(C)c(C(N)=O)c1N | <BB_9509> |
What is the molecular formula for <BB_9509>? | The molecular formula for <BB_9509> (Cc1nn(C)c(C(N)=O)c1N) is C6H10N4O. | |
Describe the ring structures in building block <BB_9509>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9509>. | The molecule contains the following groups: Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9509>. | **Token:** <BB_9509>
**SMILES:** Cc1nn(C)c(C(N)=O)c1N
**Molecular Formula:** C6H10N4O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Amide | |
Provide the SMILES representation for the building block token <BB_9510>. | O=C(O)Cc1ccc(F)c(F)c1 | |
What is the building block token for the following molecule? | O=C(O)Cc1ccc(F)c(F)c1 | <BB_9510> |
What is the molecular formula for <BB_9510>? | The molecular formula for <BB_9510> (O=C(O)Cc1ccc(F)c(F)c1) is C8H6F2O2. | |
Describe the ring structures in building block <BB_9510>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9510>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9510>. | **Token:** <BB_9510>
**SMILES:** O=C(O)Cc1ccc(F)c(F)c1
**Molecular Formula:** C8H6F2O2
**Ring System:** The molecule contains 1 ring(s): 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_9511>. | CC(=O)c1cn(C2COC2)nn1 | |
What is the building block token for the following molecule? | CC(=O)c1cn(C2COC2)nn1 | <BB_9511> |
What is the molecular formula for <BB_9511>? | The molecular formula for <BB_9511> (CC(=O)c1cn(C2COC2)nn1) is C7H9N3O2. | |
Describe the ring structures in building block <BB_9511>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_9511>. | The molecule contains the following groups: Ketone, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9511>. | **Token:** <BB_9511>
**SMILES:** CC(=O)c1cn(C2COC2)nn1
**Molecular Formula:** C7H9N3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 4.
**Functional Groups:** Ketone, Ether | |
Provide the SMILES representation for the building block token <BB_9512>. | Cl.Cl.Cn1cnc(CCN)n1 | |
What is the building block token for the following molecule? | Cl.Cl.Cn1cnc(CCN)n1 | <BB_9512> |
What is the molecular formula for <BB_9512>? | The molecular formula for <BB_9512> (Cl.Cl.Cn1cnc(CCN)n1) is C5H12Cl2N4. | |
Describe the ring structures in building block <BB_9512>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9512>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9512>. | **Token:** <BB_9512>
**SMILES:** Cl.Cl.Cn1cnc(CCN)n1
**Molecular Formula:** C5H12Cl2N4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9513>. | O=c1[nH]c2cc(B(O)O)ccc2o1 | |
What is the building block token for the following molecule? | O=c1[nH]c2cc(B(O)O)ccc2o1 | <BB_9513> |
What is the molecular formula for <BB_9513>? | The molecular formula for <BB_9513> (O=c1[nH]c2cc(B(O)O)ccc2o1) is C7H6BNO4. | |
Describe the ring structures in building block <BB_9513>. | 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_9513>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_9513>. | **Token:** <BB_9513>
**SMILES:** O=c1[nH]c2cc(B(O)O)ccc2o1
**Molecular Formula:** C7H6BNO4
**Ring System:** The molecule contains 2 ring(s): 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_9514>. | O=[N+]([O-])c1ccc2c(S(=O)(=O)Cl)c[nH]c2c1 | |
What is the building block token for the following molecule? | O=[N+]([O-])c1ccc2c(S(=O)(=O)Cl)c[nH]c2c1 | <BB_9514> |
What is the molecular formula for <BB_9514>? | The molecular formula for <BB_9514> (O=[N+]([O-])c1ccc2c(S(=O)(=O)Cl)c[nH]c2c1) is C8H5ClN2O4S. | |
Describe the ring structures in building block <BB_9514>. | 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_9514>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_9514>. | **Token:** <BB_9514>
**SMILES:** O=[N+]([O-])c1ccc2c(S(=O)(=O)Cl)c[nH]c2c1
**Molecular Formula:** C8H5ClN2O4S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_9515>. | OC(c1ccccc1)C1CCCC1 | |
What is the building block token for the following molecule? | OC(c1ccccc1)C1CCCC1 | <BB_9515> |
What is the molecular formula for <BB_9515>? | The molecular formula for <BB_9515> (OC(c1ccccc1)C1CCCC1) is C12H16O. | |
Describe the ring structures in building block <BB_9515>. | 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_9515>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_9515>. | **Token:** <BB_9515>
**SMILES:** OC(c1ccccc1)C1CCCC1
**Molecular Formula:** C12H16O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_9516>. | COC(=O)C(O)CCSC | |
What is the building block token for the following molecule? | COC(=O)C(O)CCSC | <BB_9516> |
What is the molecular formula for <BB_9516>? | The molecular formula for <BB_9516> (COC(=O)C(O)CCSC) is C6H12O3S. | |
Describe the ring structures in building block <BB_9516>. | The molecule is acyclic (contains no rings). |
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