instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_9550>. | CC(C)(C)c1cc(Br)cnc1N | |
What is the building block token for the following molecule? | CC(C)(C)c1cc(Br)cnc1N | <BB_9550> |
What is the molecular formula for <BB_9550>? | The molecular formula for <BB_9550> (CC(C)(C)c1cc(Br)cnc1N) is C9H13BrN2. | |
Describe the ring structures in building block <BB_9550>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9550>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9550>. | **Token:** <BB_9550>
**SMILES:** CC(C)(C)c1cc(Br)cnc1N
**Molecular Formula:** C9H13BrN2
**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_9551>. | CC(C)(C)OC(=O)N1CC(CO)(CO)C1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CC(CO)(CO)C1 | <BB_9551> |
What is the molecular formula for <BB_9551>? | The molecular formula for <BB_9551> (CC(C)(C)OC(=O)N1CC(CO)(CO)C1) is C10H19NO4. | |
Describe the ring structures in building block <BB_9551>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_9551>. | The molecule contains the following groups: Amide, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9551>. | **Token:** <BB_9551>
**SMILES:** CC(C)(C)OC(=O)N1CC(CO)(CO)C1
**Molecular Formula:** C10H19NO4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Amide, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_9552>. | COc1cc(C(N)=O)cc(OC)c1F | |
What is the building block token for the following molecule? | COc1cc(C(N)=O)cc(OC)c1F | <BB_9552> |
What is the molecular formula for <BB_9552>? | The molecular formula for <BB_9552> (COc1cc(C(N)=O)cc(OC)c1F) is C9H10FNO3. | |
Describe the ring structures in building block <BB_9552>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9552>. | The molecule contains the following groups: Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9552>. | **Token:** <BB_9552>
**SMILES:** COc1cc(C(N)=O)cc(OC)c1F
**Molecular Formula:** C9H10FNO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9553>. | NC(c1cccc(Cl)c1)C1CCCC1 | |
What is the building block token for the following molecule? | NC(c1cccc(Cl)c1)C1CCCC1 | <BB_9553> |
What is the molecular formula for <BB_9553>? | The molecular formula for <BB_9553> (NC(c1cccc(Cl)c1)C1CCCC1) is C12H16ClN. | |
Describe the ring structures in building block <BB_9553>. | 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_9553>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9553>. | **Token:** <BB_9553>
**SMILES:** NC(c1cccc(Cl)c1)C1CCCC1
**Molecular Formula:** C12H16ClN
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9554>. | COc1ccc(C2(C(=O)O)CCCC2)cc1OC | |
What is the building block token for the following molecule? | COc1ccc(C2(C(=O)O)CCCC2)cc1OC | <BB_9554> |
What is the molecular formula for <BB_9554>? | The molecular formula for <BB_9554> (COc1ccc(C2(C(=O)O)CCCC2)cc1OC) is C14H18O4. | |
Describe the ring structures in building block <BB_9554>. | 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_9554>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9554>. | **Token:** <BB_9554>
**SMILES:** COc1ccc(C2(C(=O)O)CCCC2)cc1OC
**Molecular Formula:** C14H18O4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_9555>. | FCC1(CS)CCOCC1 | |
What is the building block token for the following molecule? | FCC1(CS)CCOCC1 | <BB_9555> |
What is the molecular formula for <BB_9555>? | The molecular formula for <BB_9555> (FCC1(CS)CCOCC1) is C7H13FOS. | |
Describe the ring structures in building block <BB_9555>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9555>. | The molecule contains the following groups: Ether, Thiol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9555>. | **Token:** <BB_9555>
**SMILES:** FCC1(CS)CCOCC1
**Molecular Formula:** C7H13FOS
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Ether, Thiol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9556>. | NCC1CC2(CCCCC2)CC2(CC2)C1 | |
What is the building block token for the following molecule? | NCC1CC2(CCCCC2)CC2(CC2)C1 | <BB_9556> |
What is the molecular formula for <BB_9556>? | The molecular formula for <BB_9556> (NCC1CC2(CCCCC2)CC2(CC2)C1) is C14H25N. | |
Describe the ring structures in building block <BB_9556>. | The molecule contains 3 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_9556>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9556>. | **Token:** <BB_9556>
**SMILES:** NCC1CC2(CCCCC2)CC2(CC2)C1
**Molecular Formula:** C14H25N
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_9557>. | Clc1cc2ccncc2cc1Cl | |
What is the building block token for the following molecule? | Clc1cc2ccncc2cc1Cl | <BB_9557> |
What is the molecular formula for <BB_9557>? | The molecular formula for <BB_9557> (Clc1cc2ccncc2cc1Cl) is C9H5Cl2N. | |
Describe the ring structures in building block <BB_9557>. | 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_9557>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9557>. | **Token:** <BB_9557>
**SMILES:** Clc1cc2ccncc2cc1Cl
**Molecular Formula:** C9H5Cl2N
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9558>. | Cc1ccc(CCC(C)N)o1 | |
What is the building block token for the following molecule? | Cc1ccc(CCC(C)N)o1 | <BB_9558> |
What is the molecular formula for <BB_9558>? | The molecular formula for <BB_9558> (Cc1ccc(CCC(C)N)o1) is C9H15NO. | |
Describe the ring structures in building block <BB_9558>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_9558>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9558>. | **Token:** <BB_9558>
**SMILES:** Cc1ccc(CCC(C)N)o1
**Molecular Formula:** C9H15NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_9559>. | CSc1cc(C(=O)O)ccc1NC(C)=O | |
What is the building block token for the following molecule? | CSc1cc(C(=O)O)ccc1NC(C)=O | <BB_9559> |
What is the molecular formula for <BB_9559>? | The molecular formula for <BB_9559> (CSc1cc(C(=O)O)ccc1NC(C)=O) is C10H11NO3S. | |
Describe the ring structures in building block <BB_9559>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9559>. | The molecule contains the following groups: Carboxylic Acid, Amide, Sulfide. | |
Provide a comprehensive chemical profile for the building block <BB_9559>. | **Token:** <BB_9559>
**SMILES:** CSc1cc(C(=O)O)ccc1NC(C)=O
**Molecular Formula:** C10H11NO3S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide, Sulfide | |
Provide the SMILES representation for the building block token <BB_9560>. | CN(C)[C@H]1CCCCNC1 | |
What is the building block token for the following molecule? | CN(C)[C@H]1CCCCNC1 | <BB_9560> |
What is the molecular formula for <BB_9560>? | The molecular formula for <BB_9560> (CN(C)[C@H]1CCCCNC1) is C8H18N2. | |
Describe the ring structures in building block <BB_9560>. | The molecule contains 1 ring(s): an aliphatic ring of size 7. | |
List the primary functional groups present in <BB_9560>. | The molecule contains the following groups: Secondary Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9560>. | **Token:** <BB_9560>
**SMILES:** CN(C)[C@H]1CCCCNC1
**Molecular Formula:** C8H18N2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 7.
**Functional Groups:** Secondary Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_9561>. | CC(C)(C)OC(=O)NCCS(=O)(=O)F | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NCCS(=O)(=O)F | <BB_9561> |
What is the molecular formula for <BB_9561>? | The molecular formula for <BB_9561> (CC(C)(C)OC(=O)NCCS(=O)(=O)F) is C7H14FNO4S. | |
Describe the ring structures in building block <BB_9561>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_9561>. | The molecule contains the following groups: Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9561>. | **Token:** <BB_9561>
**SMILES:** CC(C)(C)OC(=O)NCCS(=O)(=O)F
**Molecular Formula:** C7H14FNO4S
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9562>. | O=C(O)c1ccc(-c2cn[nH]c2)cn1 | |
What is the building block token for the following molecule? | O=C(O)c1ccc(-c2cn[nH]c2)cn1 | <BB_9562> |
What is the molecular formula for <BB_9562>? | The molecular formula for <BB_9562> (O=C(O)c1ccc(-c2cn[nH]c2)cn1) is C9H7N3O2. | |
Describe the ring structures in building block <BB_9562>. | 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_9562>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_9562>. | **Token:** <BB_9562>
**SMILES:** O=C(O)c1ccc(-c2cn[nH]c2)cn1
**Molecular Formula:** C9H7N3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_9563>. | CNCc1ccc2c(c1)CCO2.Cl | |
What is the building block token for the following molecule? | CNCc1ccc2c(c1)CCO2.Cl | <BB_9563> |
What is the molecular formula for <BB_9563>? | The molecular formula for <BB_9563> (CNCc1ccc2c(c1)CCO2.Cl) is C10H14ClNO. | |
Describe the ring structures in building block <BB_9563>. | 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_9563>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9563>. | **Token:** <BB_9563>
**SMILES:** CNCc1ccc2c(c1)CCO2.Cl
**Molecular Formula:** C10H14ClNO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9564>. | CS(=O)(=O)c1cc(Cl)ncn1 | |
What is the building block token for the following molecule? | CS(=O)(=O)c1cc(Cl)ncn1 | <BB_9564> |
What is the molecular formula for <BB_9564>? | The molecular formula for <BB_9564> (CS(=O)(=O)c1cc(Cl)ncn1) is C5H5ClN2O2S. | |
Describe the ring structures in building block <BB_9564>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9564>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9564>. | **Token:** <BB_9564>
**SMILES:** CS(=O)(=O)c1cc(Cl)ncn1
**Molecular Formula:** C5H5ClN2O2S
**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_9565>. | N#CC(OCCCCl)C1CC1 | |
What is the building block token for the following molecule? | N#CC(OCCCCl)C1CC1 | <BB_9565> |
What is the molecular formula for <BB_9565>? | The molecular formula for <BB_9565> (N#CC(OCCCCl)C1CC1) is C8H12ClNO. | |
Describe the ring structures in building block <BB_9565>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_9565>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_9565>. | **Token:** <BB_9565>
**SMILES:** N#CC(OCCCCl)C1CC1
**Molecular Formula:** C8H12ClNO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_9566>. | O=C(O)c1ccc2c(c1)C(=O)NS(=O)(=O)O2 | |
What is the building block token for the following molecule? | O=C(O)c1ccc2c(c1)C(=O)NS(=O)(=O)O2 | <BB_9566> |
What is the molecular formula for <BB_9566>? | The molecular formula for <BB_9566> (O=C(O)c1ccc2c(c1)C(=O)NS(=O)(=O)O2) is C8H5NO6S. | |
Describe the ring structures in building block <BB_9566>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6. |
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