instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_9433>? | The molecular formula for <BB_9433> (CCC(C)Oc1cc(C(=O)O)ccn1) is C10H13NO3. | |
Describe the ring structures in building block <BB_9433>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9433>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9433>. | **Token:** <BB_9433>
**SMILES:** CCC(C)Oc1cc(C(=O)O)ccn1
**Molecular Formula:** C10H13NO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_9434>. | COCCC(C)CCS(=O)(=O)Cl | |
What is the building block token for the following molecule? | COCCC(C)CCS(=O)(=O)Cl | <BB_9434> |
What is the molecular formula for <BB_9434>? | The molecular formula for <BB_9434> (COCCC(C)CCS(=O)(=O)Cl) is C7H15ClO3S. | |
Describe the ring structures in building block <BB_9434>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9434>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9434>. | **Token:** <BB_9434>
**SMILES:** COCCC(C)CCS(=O)(=O)Cl
**Molecular Formula:** C7H15ClO3S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9435>. | Cl.Cl.Cn1cnc2c1CNC2 | |
What is the building block token for the following molecule? | Cl.Cl.Cn1cnc2c1CNC2 | <BB_9435> |
What is the molecular formula for <BB_9435>? | The molecular formula for <BB_9435> (Cl.Cl.Cn1cnc2c1CNC2) is C6H11Cl2N3. | |
Describe the ring structures in building block <BB_9435>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9435>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9435>. | **Token:** <BB_9435>
**SMILES:** Cl.Cl.Cn1cnc2c1CNC2
**Molecular Formula:** C6H11Cl2N3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, 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_9436>. | Cl.NCC(O)C(F)F | |
What is the building block token for the following molecule? | Cl.NCC(O)C(F)F | <BB_9436> |
What is the molecular formula for <BB_9436>? | The molecular formula for <BB_9436> (Cl.NCC(O)C(F)F) is C3H8ClF2NO. | |
Describe the ring structures in building block <BB_9436>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9436>. | The molecule contains the following groups: Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9436>. | **Token:** <BB_9436>
**SMILES:** Cl.NCC(O)C(F)F
**Molecular Formula:** C3H8ClF2NO
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9437>. | Cl.N[C@H]1CCO[C@@H](c2ccc(Br)cc2)C1 | |
What is the building block token for the following molecule? | Cl.N[C@H]1CCO[C@@H](c2ccc(Br)cc2)C1 | <BB_9437> |
What is the molecular formula for <BB_9437>? | The molecular formula for <BB_9437> (Cl.N[C@H]1CCO[C@@H](c2ccc(Br)cc2)C1) is C11H15BrClNO. | |
Describe the ring structures in building block <BB_9437>. | 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_9437>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9437>. | **Token:** <BB_9437>
**SMILES:** Cl.N[C@H]1CCO[C@@H](c2ccc(Br)cc2)C1
**Molecular Formula:** C11H15BrClNO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9438>. | O=C(Cl)OCCBr | |
What is the building block token for the following molecule? | O=C(Cl)OCCBr | <BB_9438> |
What is the molecular formula for <BB_9438>? | The molecular formula for <BB_9438> (O=C(Cl)OCCBr) is C3H4BrClO2. | |
Describe the ring structures in building block <BB_9438>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9438>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9438>. | **Token:** <BB_9438>
**SMILES:** O=C(Cl)OCCBr
**Molecular Formula:** C3H4BrClO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9439>. | NNC(=O)c1ccn(Cn2cc(Br)cn2)n1 | |
What is the building block token for the following molecule? | NNC(=O)c1ccn(Cn2cc(Br)cn2)n1 | <BB_9439> |
What is the molecular formula for <BB_9439>? | The molecular formula for <BB_9439> (NNC(=O)c1ccn(Cn2cc(Br)cn2)n1) is C8H9BrN6O. | |
Describe the ring structures in building block <BB_9439>. | 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_9439>. | The molecule contains the following groups: Amine, Amide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9439>. | **Token:** <BB_9439>
**SMILES:** NNC(=O)c1ccn(Cn2cc(Br)cn2)n1
**Molecular Formula:** C8H9BrN6O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Amine, Amide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9440>. | O=[N+]([O-])c1ccc(S(=O)(=O)Cl)c(C(F)F)c1 | |
What is the building block token for the following molecule? | O=[N+]([O-])c1ccc(S(=O)(=O)Cl)c(C(F)F)c1 | <BB_9440> |
What is the molecular formula for <BB_9440>? | The molecular formula for <BB_9440> (O=[N+]([O-])c1ccc(S(=O)(=O)Cl)c(C(F)F)c1) is C7H4ClF2NO4S. | |
Describe the ring structures in building block <BB_9440>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9440>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_9440>. | **Token:** <BB_9440>
**SMILES:** O=[N+]([O-])c1ccc(S(=O)(=O)Cl)c(C(F)F)c1
**Molecular Formula:** C7H4ClF2NO4S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_9441>. | CC(Cc1ccccc1)C(F)(F)F | |
What is the building block token for the following molecule? | CC(Cc1ccccc1)C(F)(F)F | <BB_9441> |
What is the molecular formula for <BB_9441>? | The molecular formula for <BB_9441> (CC(Cc1ccccc1)C(F)(F)F) is C10H11F3. | |
Describe the ring structures in building block <BB_9441>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9441>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9441>. | **Token:** <BB_9441>
**SMILES:** CC(Cc1ccccc1)C(F)(F)F
**Molecular Formula:** C10H11F3
**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_9442>. | NS(=O)(=O)c1ccc(Br)c(C(=O)O)c1 | |
What is the building block token for the following molecule? | NS(=O)(=O)c1ccc(Br)c(C(=O)O)c1 | <BB_9442> |
What is the molecular formula for <BB_9442>? | The molecular formula for <BB_9442> (NS(=O)(=O)c1ccc(Br)c(C(=O)O)c1) is C7H6BrNO4S. | |
Describe the ring structures in building block <BB_9442>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9442>. | The molecule contains the following groups: Carboxylic Acid, Amine, Halogen (F,Cl,Br,I), Sulfonamide. | |
Provide a comprehensive chemical profile for the building block <BB_9442>. | **Token:** <BB_9442>
**SMILES:** NS(=O)(=O)c1ccc(Br)c(C(=O)O)c1
**Molecular Formula:** C7H6BrNO4S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amine, Halogen (F,Cl,Br,I), Sulfonamide | |
Provide the SMILES representation for the building block token <BB_9443>. | Cc1cc2cc(N)ccc2[nH]1 | |
What is the building block token for the following molecule? | Cc1cc2cc(N)ccc2[nH]1 | <BB_9443> |
What is the molecular formula for <BB_9443>? | The molecular formula for <BB_9443> (Cc1cc2cc(N)ccc2[nH]1) is C9H10N2. | |
Describe the ring structures in building block <BB_9443>. | 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_9443>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9443>. | **Token:** <BB_9443>
**SMILES:** Cc1cc2cc(N)ccc2[nH]1
**Molecular Formula:** C9H10N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_9444>. | CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)O | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)O | <BB_9444> |
What is the molecular formula for <BB_9444>? | The molecular formula for <BB_9444> (CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)O) is C11H19NO4. | |
Describe the ring structures in building block <BB_9444>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_9444>. | The molecule contains the following groups: Carboxylic Acid, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9444>. | **Token:** <BB_9444>
**SMILES:** CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)O
**Molecular Formula:** C11H19NO4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Carboxylic Acid, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_9445>. | F[B-](F)(F)C(F)(F)F.[K+] | |
What is the building block token for the following molecule? | F[B-](F)(F)C(F)(F)F.[K+] | <BB_9445> |
What is the molecular formula for <BB_9445>? | The molecular formula for <BB_9445> (F[B-](F)(F)C(F)(F)F.[K+]) is CBF6K. | |
Describe the ring structures in building block <BB_9445>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9445>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9445>. | **Token:** <BB_9445>
**SMILES:** F[B-](F)(F)C(F)(F)F.[K+]
**Molecular Formula:** CBF6K
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9446>. | Cl.NCCOc1ccsc1 | |
What is the building block token for the following molecule? | Cl.NCCOc1ccsc1 | <BB_9446> |
What is the molecular formula for <BB_9446>? | The molecular formula for <BB_9446> (Cl.NCCOc1ccsc1) is C6H10ClNOS. | |
Describe the ring structures in building block <BB_9446>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9446>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9446>. | **Token:** <BB_9446>
**SMILES:** Cl.NCCOc1ccsc1
**Molecular Formula:** C6H10ClNOS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9447>. | FC(F)(F)CC(Br)c1ccccc1 | |
What is the building block token for the following molecule? | FC(F)(F)CC(Br)c1ccccc1 | <BB_9447> |
What is the molecular formula for <BB_9447>? | The molecular formula for <BB_9447> (FC(F)(F)CC(Br)c1ccccc1) is C9H8BrF3. | |
Describe the ring structures in building block <BB_9447>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9447>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9447>. | **Token:** <BB_9447>
**SMILES:** FC(F)(F)CC(Br)c1ccccc1
**Molecular Formula:** C9H8BrF3
**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_9448>. | CCOS(=O)(=O)c1ccc(C)cc1 | |
What is the building block token for the following molecule? | CCOS(=O)(=O)c1ccc(C)cc1 | <BB_9448> |
What is the molecular formula for <BB_9448>? | The molecular formula for <BB_9448> (CCOS(=O)(=O)c1ccc(C)cc1) is C9H12O3S. | |
Describe the ring structures in building block <BB_9448>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9448>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_9448>. | **Token:** <BB_9448>
**SMILES:** CCOS(=O)(=O)c1ccc(C)cc1
**Molecular Formula:** C9H12O3S
**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_9449>. | c1ccc(-c2nnco2)cc1 | |
What is the building block token for the following molecule? | c1ccc(-c2nnco2)cc1 | <BB_9449> |
What is the molecular formula for <BB_9449>? | The molecular formula for <BB_9449> (c1ccc(-c2nnco2)cc1) is C8H6N2O. | |
Describe the ring structures in building block <BB_9449>. | 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_9449>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_9449>. | **Token:** <BB_9449>
**SMILES:** c1ccc(-c2nnco2)cc1
**Molecular Formula:** C8H6N2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** None specific |
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