instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_9950>. | CC1(O)CCCCC12CCCCC2 | |
What is the building block token for the following molecule? | CC1(O)CCCCC12CCCCC2 | <BB_9950> |
What is the molecular formula for <BB_9950>? | The molecular formula for <BB_9950> (CC1(O)CCCCC12CCCCC2) is C12H22O. | |
Describe the ring structures in building block <BB_9950>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9950>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_9950>. | **Token:** <BB_9950>
**SMILES:** CC1(O)CCCCC12CCCCC2
**Molecular Formula:** C12H22O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_9951>. | COc1ccc(C(=O)O)cc1OC | |
What is the building block token for the following molecule? | COc1ccc(C(=O)O)cc1OC | <BB_9951> |
What is the molecular formula for <BB_9951>? | The molecular formula for <BB_9951> (COc1ccc(C(=O)O)cc1OC) is C9H10O4. | |
Describe the ring structures in building block <BB_9951>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9951>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9951>. | **Token:** <BB_9951>
**SMILES:** COc1ccc(C(=O)O)cc1OC
**Molecular Formula:** C9H10O4
**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_9952>. | CC1(C)OC2OCCC(=O)C2O1 | |
What is the building block token for the following molecule? | CC1(C)OC2OCCC(=O)C2O1 | <BB_9952> |
What is the molecular formula for <BB_9952>? | The molecular formula for <BB_9952> (CC1(C)OC2OCCC(=O)C2O1) is C8H12O4. | |
Describe the ring structures in building block <BB_9952>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9952>. | The molecule contains the following groups: Ketone, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9952>. | **Token:** <BB_9952>
**SMILES:** CC1(C)OC2OCCC(=O)C2O1
**Molecular Formula:** C8H12O4
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Ketone, Ether | |
Provide the SMILES representation for the building block token <BB_9953>. | CC(C)(CN)c1ccc(Br)cc1Cl | |
What is the building block token for the following molecule? | CC(C)(CN)c1ccc(Br)cc1Cl | <BB_9953> |
What is the molecular formula for <BB_9953>? | The molecular formula for <BB_9953> (CC(C)(CN)c1ccc(Br)cc1Cl) is C10H13BrClN. | |
Describe the ring structures in building block <BB_9953>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9953>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9953>. | **Token:** <BB_9953>
**SMILES:** CC(C)(CN)c1ccc(Br)cc1Cl
**Molecular Formula:** C10H13BrClN
**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_9954>. | CNCCc1ccc(Cl)s1.Cl | |
What is the building block token for the following molecule? | CNCCc1ccc(Cl)s1.Cl | <BB_9954> |
What is the molecular formula for <BB_9954>? | The molecular formula for <BB_9954> (CNCCc1ccc(Cl)s1.Cl) is C7H11Cl2NS. | |
Describe the ring structures in building block <BB_9954>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9954>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9954>. | **Token:** <BB_9954>
**SMILES:** CNCCc1ccc(Cl)s1.Cl
**Molecular Formula:** C7H11Cl2NS
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9955>. | O=C1C=CC(=O)C1 | |
What is the building block token for the following molecule? | O=C1C=CC(=O)C1 | <BB_9955> |
What is the molecular formula for <BB_9955>? | The molecular formula for <BB_9955> (O=C1C=CC(=O)C1) is C5H4O2. | |
Describe the ring structures in building block <BB_9955>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9955>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_9955>. | **Token:** <BB_9955>
**SMILES:** O=C1C=CC(=O)C1
**Molecular Formula:** C5H4O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Ketone | |
Provide the SMILES representation for the building block token <BB_9956>. | Cc1nnc(SCCN2CCOCC2)[nH]1.Cl | |
What is the building block token for the following molecule? | Cc1nnc(SCCN2CCOCC2)[nH]1.Cl | <BB_9956> |
What is the molecular formula for <BB_9956>? | The molecular formula for <BB_9956> (Cc1nnc(SCCN2CCOCC2)[nH]1.Cl) is C9H17ClN4OS. | |
Describe the ring structures in building block <BB_9956>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9956>. | The molecule contains the following groups: Tertiary Amine, Ether, Sulfide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9956>. | **Token:** <BB_9956>
**SMILES:** Cc1nnc(SCCN2CCOCC2)[nH]1.Cl
**Molecular Formula:** C9H17ClN4OS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Tertiary Amine, Ether, Sulfide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9957>. | CC1(C)OB(C2=CCC(N)C2)OC1(C)C.Cl | |
What is the building block token for the following molecule? | CC1(C)OB(C2=CCC(N)C2)OC1(C)C.Cl | <BB_9957> |
What is the molecular formula for <BB_9957>? | The molecular formula for <BB_9957> (CC1(C)OB(C2=CCC(N)C2)OC1(C)C.Cl) is C11H21BClNO2. | |
Describe the ring structures in building block <BB_9957>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9957>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9957>. | **Token:** <BB_9957>
**SMILES:** CC1(C)OB(C2=CCC(N)C2)OC1(C)C.Cl
**Molecular Formula:** C11H21BClNO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9958>. | COc1ccc(CS(C)(=O)=O)cc1N.Cl | |
What is the building block token for the following molecule? | COc1ccc(CS(C)(=O)=O)cc1N.Cl | <BB_9958> |
What is the molecular formula for <BB_9958>? | The molecular formula for <BB_9958> (COc1ccc(CS(C)(=O)=O)cc1N.Cl) is C9H14ClNO3S. | |
Describe the ring structures in building block <BB_9958>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9958>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9958>. | **Token:** <BB_9958>
**SMILES:** COc1ccc(CS(C)(=O)=O)cc1N.Cl
**Molecular Formula:** C9H14ClNO3S
**Ring System:** The molecule contains 1 ring(s): 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_9959>. | COC(=O)CCN.Cl | |
What is the building block token for the following molecule? | COC(=O)CCN.Cl | <BB_9959> |
What is the molecular formula for <BB_9959>? | The molecular formula for <BB_9959> (COC(=O)CCN.Cl) is C4H10ClNO2. | |
Describe the ring structures in building block <BB_9959>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9959>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9959>. | **Token:** <BB_9959>
**SMILES:** COC(=O)CCN.Cl
**Molecular Formula:** C4H10ClNO2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9960>. | Cl.Cl.N[C@H]1CC[C@@H]2CCN(Cc3ccccc3)[C@@H]21 | |
What is the building block token for the following molecule? | Cl.Cl.N[C@H]1CC[C@@H]2CCN(Cc3ccccc3)[C@@H]21 | <BB_9960> |
What is the molecular formula for <BB_9960>? | The molecular formula for <BB_9960> (Cl.Cl.N[C@H]1CC[C@@H]2CCN(Cc3ccccc3)[C@@H]21) is C14H22Cl2N2. | |
Describe the ring structures in building block <BB_9960>. | The molecule contains 3 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9960>. | The molecule contains the following groups: Amine, Tertiary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9960>. | **Token:** <BB_9960>
**SMILES:** Cl.Cl.N[C@H]1CC[C@@H]2CCN(Cc3ccccc3)[C@@H]21
**Molecular Formula:** C14H22Cl2N2
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9961>. | c1cnc2c(c1)ccc1cccnc12 | |
What is the building block token for the following molecule? | c1cnc2c(c1)ccc1cccnc12 | <BB_9961> |
What is the molecular formula for <BB_9961>? | The molecular formula for <BB_9961> (c1cnc2c(c1)ccc1cccnc12) is C12H8N2. | |
Describe the ring structures in building block <BB_9961>. | The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9961>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_9961>. | **Token:** <BB_9961>
**SMILES:** c1cnc2c(c1)ccc1cccnc12
**Molecular Formula:** C12H8N2
**Ring System:** The molecule contains 3 ring(s): an aromatic ring of size 6, an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_9962>. | Cn1ccnc1C(O)c1ccc(N)cc1 | |
What is the building block token for the following molecule? | Cn1ccnc1C(O)c1ccc(N)cc1 | <BB_9962> |
What is the molecular formula for <BB_9962>? | The molecular formula for <BB_9962> (Cn1ccnc1C(O)c1ccc(N)cc1) is C11H13N3O. | |
Describe the ring structures in building block <BB_9962>. | 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_9962>. | The molecule contains the following groups: Amine, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_9962>. | **Token:** <BB_9962>
**SMILES:** Cn1ccnc1C(O)c1ccc(N)cc1
**Molecular Formula:** C11H13N3O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amine, Alcohol | |
Provide the SMILES representation for the building block token <BB_9963>. | O=C(O)c1cc(O)c(O)cc1C(=O)O | |
What is the building block token for the following molecule? | O=C(O)c1cc(O)c(O)cc1C(=O)O | <BB_9963> |
What is the molecular formula for <BB_9963>? | The molecular formula for <BB_9963> (O=C(O)c1cc(O)c(O)cc1C(=O)O) is C8H6O6. | |
Describe the ring structures in building block <BB_9963>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9963>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_9963>. | **Token:** <BB_9963>
**SMILES:** O=C(O)c1cc(O)c(O)cc1C(=O)O
**Molecular Formula:** C8H6O6
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_9964>. | OC1CCCC1(F)F | |
What is the building block token for the following molecule? | OC1CCCC1(F)F | <BB_9964> |
What is the molecular formula for <BB_9964>? | The molecular formula for <BB_9964> (OC1CCCC1(F)F) is C5H8F2O. | |
Describe the ring structures in building block <BB_9964>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9964>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9964>. | **Token:** <BB_9964>
**SMILES:** OC1CCCC1(F)F
**Molecular Formula:** C5H8F2O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9965>. | CCc1ccc(CN)c(F)c1.Cl | |
What is the building block token for the following molecule? | CCc1ccc(CN)c(F)c1.Cl | <BB_9965> |
What is the molecular formula for <BB_9965>? | The molecular formula for <BB_9965> (CCc1ccc(CN)c(F)c1.Cl) is C9H13ClFN. | |
Describe the ring structures in building block <BB_9965>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9965>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9965>. | **Token:** <BB_9965>
**SMILES:** CCc1ccc(CN)c(F)c1.Cl
**Molecular Formula:** C9H13ClFN
**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_9966>. | Cc1nc2c(F)c(F)ccc2cc1O | |
What is the building block token for the following molecule? | Cc1nc2c(F)c(F)ccc2cc1O | <BB_9966> |
What is the molecular formula for <BB_9966>? | The molecular formula for <BB_9966> (Cc1nc2c(F)c(F)ccc2cc1O) is C10H7F2NO. | |
Describe the ring structures in building block <BB_9966>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6. |
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