instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_8983>? | The molecular formula for <BB_8983> (COC(=O)c1ccc(Cl)c(CC(=O)O)c1) is C10H9ClO4. | |
Describe the ring structures in building block <BB_8983>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_8983>. | The molecule contains the following groups: Carboxylic Acid, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_8983>. | **Token:** <BB_8983>
**SMILES:** COC(=O)c1ccc(Cl)c(CC(=O)O)c1
**Molecular Formula:** C10H9ClO4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_8984>. | Fc1cc(F)c(CS)c(F)c1 | |
What is the building block token for the following molecule? | Fc1cc(F)c(CS)c(F)c1 | <BB_8984> |
What is the molecular formula for <BB_8984>? | The molecular formula for <BB_8984> (Fc1cc(F)c(CS)c(F)c1) is C7H5F3S. | |
Describe the ring structures in building block <BB_8984>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_8984>. | The molecule contains the following groups: Thiol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_8984>. | **Token:** <BB_8984>
**SMILES:** Fc1cc(F)c(CS)c(F)c1
**Molecular Formula:** C7H5F3S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Thiol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_8985>. | CCC1=NOC(C)(C(=O)O)C1 | |
What is the building block token for the following molecule? | CCC1=NOC(C)(C(=O)O)C1 | <BB_8985> |
What is the molecular formula for <BB_8985>? | The molecular formula for <BB_8985> (CCC1=NOC(C)(C(=O)O)C1) is C7H11NO3. | |
Describe the ring structures in building block <BB_8985>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_8985>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_8985>. | **Token:** <BB_8985>
**SMILES:** CCC1=NOC(C)(C(=O)O)C1
**Molecular Formula:** C7H11NO3
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_8986>. | Cl.O=C(O)c1ccc2c(c1)COCCN2 | |
What is the building block token for the following molecule? | Cl.O=C(O)c1ccc2c(c1)COCCN2 | <BB_8986> |
What is the molecular formula for <BB_8986>? | The molecular formula for <BB_8986> (Cl.O=C(O)c1ccc2c(c1)COCCN2) is C10H12ClNO3. | |
Describe the ring structures in building block <BB_8986>. | 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_8986>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_8986>. | **Token:** <BB_8986>
**SMILES:** Cl.O=C(O)c1ccc2c(c1)COCCN2
**Molecular Formula:** C10H12ClNO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 7.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_8987>. | Oc1ccc2c(c1)OC(F)(F)O2 | |
What is the building block token for the following molecule? | Oc1ccc2c(c1)OC(F)(F)O2 | <BB_8987> |
What is the molecular formula for <BB_8987>? | The molecular formula for <BB_8987> (Oc1ccc2c(c1)OC(F)(F)O2) is C7H4F2O3. | |
Describe the ring structures in building block <BB_8987>. | 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_8987>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_8987>. | **Token:** <BB_8987>
**SMILES:** Oc1ccc2c(c1)OC(F)(F)O2
**Molecular Formula:** C7H4F2O3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_8988>. | [N-]=[N+]=Nc1cccc(C(F)(F)F)c1F | |
What is the building block token for the following molecule? | [N-]=[N+]=Nc1cccc(C(F)(F)F)c1F | <BB_8988> |
What is the molecular formula for <BB_8988>? | The molecular formula for <BB_8988> ([N-]=[N+]=Nc1cccc(C(F)(F)F)c1F) is C7H3F4N3. | |
Describe the ring structures in building block <BB_8988>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_8988>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_8988>. | **Token:** <BB_8988>
**SMILES:** [N-]=[N+]=Nc1cccc(C(F)(F)F)c1F
**Molecular Formula:** C7H3F4N3
**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_8989>. | Cl.FC(F)(F)c1ccnc(C2CCCN2)n1 | |
What is the building block token for the following molecule? | Cl.FC(F)(F)c1ccnc(C2CCCN2)n1 | <BB_8989> |
What is the molecular formula for <BB_8989>? | The molecular formula for <BB_8989> (Cl.FC(F)(F)c1ccnc(C2CCCN2)n1) is C9H11ClF3N3. | |
Describe the ring structures in building block <BB_8989>. | 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_8989>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_8989>. | **Token:** <BB_8989>
**SMILES:** Cl.FC(F)(F)c1ccnc(C2CCCN2)n1
**Molecular Formula:** C9H11ClF3N3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, 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_8990>. | COC(=O)c1ccc2c(c1)CCN2.Cl | |
What is the building block token for the following molecule? | COC(=O)c1ccc2c(c1)CCN2.Cl | <BB_8990> |
What is the molecular formula for <BB_8990>? | The molecular formula for <BB_8990> (COC(=O)c1ccc2c(c1)CCN2.Cl) is C10H12ClNO2. | |
Describe the ring structures in building block <BB_8990>. | 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_8990>. | The molecule contains the following groups: Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_8990>. | **Token:** <BB_8990>
**SMILES:** COC(=O)c1ccc2c(c1)CCN2.Cl
**Molecular Formula:** C10H12ClNO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_8991>. | CCOC(=O)c1conc1CN=[N+]=[N-] | |
What is the building block token for the following molecule? | CCOC(=O)c1conc1CN=[N+]=[N-] | <BB_8991> |
What is the molecular formula for <BB_8991>? | The molecular formula for <BB_8991> (CCOC(=O)c1conc1CN=[N+]=[N-]) is C7H8N4O3. | |
Describe the ring structures in building block <BB_8991>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_8991>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_8991>. | **Token:** <BB_8991>
**SMILES:** CCOC(=O)c1conc1CN=[N+]=[N-]
**Molecular Formula:** C7H8N4O3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_8992>. | C1CNCC2(C1)CCSC2.Cl | |
What is the building block token for the following molecule? | C1CNCC2(C1)CCSC2.Cl | <BB_8992> |
What is the molecular formula for <BB_8992>? | The molecular formula for <BB_8992> (C1CNCC2(C1)CCSC2.Cl) is C8H16ClNS. | |
Describe the ring structures in building block <BB_8992>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_8992>. | The molecule contains the following groups: Secondary Amine, Sulfide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_8992>. | **Token:** <BB_8992>
**SMILES:** C1CNCC2(C1)CCSC2.Cl
**Molecular Formula:** C8H16ClNS
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Sulfide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_8993>. | CN(C)c1ccc2c(c1)NC(=O)C2 | |
What is the building block token for the following molecule? | CN(C)c1ccc2c(c1)NC(=O)C2 | <BB_8993> |
What is the molecular formula for <BB_8993>? | The molecular formula for <BB_8993> (CN(C)c1ccc2c(c1)NC(=O)C2) is C10H12N2O. | |
Describe the ring structures in building block <BB_8993>. | 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_8993>. | The molecule contains the following groups: Tertiary Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_8993>. | **Token:** <BB_8993>
**SMILES:** CN(C)c1ccc2c(c1)NC(=O)C2
**Molecular Formula:** C10H12N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Tertiary Amine, Amide | |
Provide the SMILES representation for the building block token <BB_8994>. | Cl.Cn1cncc1CCC(=O)O | |
What is the building block token for the following molecule? | Cl.Cn1cncc1CCC(=O)O | <BB_8994> |
What is the molecular formula for <BB_8994>? | The molecular formula for <BB_8994> (Cl.Cn1cncc1CCC(=O)O) is C7H11ClN2O2. | |
Describe the ring structures in building block <BB_8994>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_8994>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_8994>. | **Token:** <BB_8994>
**SMILES:** Cl.Cn1cncc1CCC(=O)O
**Molecular Formula:** C7H11ClN2O2
**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_8995>. | CC(=O)O[C@@H]1CC[C@H]1Br | |
What is the building block token for the following molecule? | CC(=O)O[C@@H]1CC[C@H]1Br | <BB_8995> |
What is the molecular formula for <BB_8995>? | The molecular formula for <BB_8995> (CC(=O)O[C@@H]1CC[C@H]1Br) is C6H9BrO2. | |
Describe the ring structures in building block <BB_8995>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_8995>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_8995>. | **Token:** <BB_8995>
**SMILES:** CC(=O)O[C@@H]1CC[C@H]1Br
**Molecular Formula:** C6H9BrO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_8996>. | Cc1cc(C(N)=S)ccn1 | |
What is the building block token for the following molecule? | Cc1cc(C(N)=S)ccn1 | <BB_8996> |
What is the molecular formula for <BB_8996>? | The molecular formula for <BB_8996> (Cc1cc(C(N)=S)ccn1) is C7H8N2S. | |
Describe the ring structures in building block <BB_8996>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_8996>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_8996>. | **Token:** <BB_8996>
**SMILES:** Cc1cc(C(N)=S)ccn1
**Molecular Formula:** C7H8N2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_8997>. | NS(=O)(=O)CCc1ccc2c(c1)CCO2 | |
What is the building block token for the following molecule? | NS(=O)(=O)CCc1ccc2c(c1)CCO2 | <BB_8997> |
What is the molecular formula for <BB_8997>? | The molecular formula for <BB_8997> (NS(=O)(=O)CCc1ccc2c(c1)CCO2) is C10H13NO3S. | |
Describe the ring structures in building block <BB_8997>. | 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_8997>. | The molecule contains the following groups: Amine, Ether, Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_8997>. | **Token:** <BB_8997>
**SMILES:** NS(=O)(=O)CCc1ccc2c(c1)CCO2
**Molecular Formula:** C10H13NO3S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine, Ether, Sulfonamide | |
Provide the SMILES representation for the building block token <BB_8998>. | CON1CCC(=O)CC1 | |
What is the building block token for the following molecule? | CON1CCC(=O)CC1 | <BB_8998> |
What is the molecular formula for <BB_8998>? | The molecular formula for <BB_8998> (CON1CCC(=O)CC1) is C6H11NO2. | |
Describe the ring structures in building block <BB_8998>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_8998>. | The molecule contains the following groups: Tertiary Amine, Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_8998>. | **Token:** <BB_8998>
**SMILES:** CON1CCC(=O)CC1
**Molecular Formula:** C6H11NO2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Ketone | |
Provide the SMILES representation for the building block token <BB_8999>. | CCn1c(NC)cc(=O)[nH]c1=O | |
What is the building block token for the following molecule? | CCn1c(NC)cc(=O)[nH]c1=O | <BB_8999> |
What is the molecular formula for <BB_8999>? | The molecular formula for <BB_8999> (CCn1c(NC)cc(=O)[nH]c1=O) is C7H11N3O2. | |
Describe the ring structures in building block <BB_8999>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_8999>. | The molecule contains the following groups: Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_8999>. | **Token:** <BB_8999>
**SMILES:** CCn1c(NC)cc(=O)[nH]c1=O
**Molecular Formula:** C7H11N3O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Secondary Amine |
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