instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_3083>? | The molecular formula for <BB_3083> (CNCC(O)COc1ccc2c(c1)OCO2) is C11H15NO4. | |
Describe the ring structures in building block <BB_3083>. | 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_3083>. | The molecule contains the following groups: Secondary Amine, Alcohol, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_3083>. | **Token:** <BB_3083>
**SMILES:** CNCC(O)COc1ccc2c(c1)OCO2
**Molecular Formula:** C11H15NO4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Alcohol, Ether | |
Provide the SMILES representation for the building block token <BB_3084>. | CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O | |
What is the building block token for the following molecule? | CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O | <BB_3084> |
What is the molecular formula for <BB_3084>? | The molecular formula for <BB_3084> (CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O) is C13H17NO4. | |
Describe the ring structures in building block <BB_3084>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3084>. | The molecule contains the following groups: Amide, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_3084>. | **Token:** <BB_3084>
**SMILES:** CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O
**Molecular Formula:** C13H17NO4
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amide, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_3085>. | Cl.Cl.NCCCn1cc(CO)nn1 | |
What is the building block token for the following molecule? | Cl.Cl.NCCCn1cc(CO)nn1 | <BB_3085> |
What is the molecular formula for <BB_3085>? | The molecular formula for <BB_3085> (Cl.Cl.NCCCn1cc(CO)nn1) is C6H14Cl2N4O. | |
Describe the ring structures in building block <BB_3085>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_3085>. | The molecule contains the following groups: Amine, Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3085>. | **Token:** <BB_3085>
**SMILES:** Cl.Cl.NCCCn1cc(CO)nn1
**Molecular Formula:** C6H14Cl2N4O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Amine, Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3086>. | CC1(C)CC(=O)c2cc(C(=O)O)ccc2O1 | |
What is the building block token for the following molecule? | CC1(C)CC(=O)c2cc(C(=O)O)ccc2O1 | <BB_3086> |
What is the molecular formula for <BB_3086>? | The molecular formula for <BB_3086> (CC1(C)CC(=O)c2cc(C(=O)O)ccc2O1) is C12H12O4. | |
Describe the ring structures in building block <BB_3086>. | 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_3086>. | The molecule contains the following groups: Carboxylic Acid, Ketone, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_3086>. | **Token:** <BB_3086>
**SMILES:** CC1(C)CC(=O)c2cc(C(=O)O)ccc2O1
**Molecular Formula:** C12H12O4
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ketone, Ether | |
Provide the SMILES representation for the building block token <BB_3087>. | COC(=O)CNC(=O)C(=O)OC | |
What is the building block token for the following molecule? | COC(=O)CNC(=O)C(=O)OC | <BB_3087> |
What is the molecular formula for <BB_3087>? | The molecular formula for <BB_3087> (COC(=O)CNC(=O)C(=O)OC) is C6H9NO5. | |
Describe the ring structures in building block <BB_3087>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_3087>. | The molecule contains the following groups: Amide, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_3087>. | **Token:** <BB_3087>
**SMILES:** COC(=O)CNC(=O)C(=O)OC
**Molecular Formula:** C6H9NO5
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amide, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_3088>. | COC(=O)c1cc(C(F)(F)F)ccc1C#N | |
What is the building block token for the following molecule? | COC(=O)c1cc(C(F)(F)F)ccc1C#N | <BB_3088> |
What is the molecular formula for <BB_3088>? | The molecular formula for <BB_3088> (COC(=O)c1cc(C(F)(F)F)ccc1C#N) is C10H6F3NO2. | |
Describe the ring structures in building block <BB_3088>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3088>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_3088>. | **Token:** <BB_3088>
**SMILES:** COC(=O)c1cc(C(F)(F)F)ccc1C#N
**Molecular Formula:** C10H6F3NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_3089>. | Cc1c(Cl)ccnc1C(=O)O.Cl | |
What is the building block token for the following molecule? | Cc1c(Cl)ccnc1C(=O)O.Cl | <BB_3089> |
What is the molecular formula for <BB_3089>? | The molecular formula for <BB_3089> (Cc1c(Cl)ccnc1C(=O)O.Cl) is C7H7Cl2NO2. | |
Describe the ring structures in building block <BB_3089>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3089>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3089>. | **Token:** <BB_3089>
**SMILES:** Cc1c(Cl)ccnc1C(=O)O.Cl
**Molecular Formula:** C7H7Cl2NO2
**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_3090>. | O=C(O)CC(Br)C(=O)c1ccc(Cl)cc1 | |
What is the building block token for the following molecule? | O=C(O)CC(Br)C(=O)c1ccc(Cl)cc1 | <BB_3090> |
What is the molecular formula for <BB_3090>? | The molecular formula for <BB_3090> (O=C(O)CC(Br)C(=O)c1ccc(Cl)cc1) is C10H8BrClO3. | |
Describe the ring structures in building block <BB_3090>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3090>. | The molecule contains the following groups: Carboxylic Acid, Ketone, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3090>. | **Token:** <BB_3090>
**SMILES:** O=C(O)CC(Br)C(=O)c1ccc(Cl)cc1
**Molecular Formula:** C10H8BrClO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ketone, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3091>. | Brc1ccc2ccccc2c1I | |
What is the building block token for the following molecule? | Brc1ccc2ccccc2c1I | <BB_3091> |
What is the molecular formula for <BB_3091>? | The molecular formula for <BB_3091> (Brc1ccc2ccccc2c1I) is C10H6BrI. | |
Describe the ring structures in building block <BB_3091>. | 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_3091>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3091>. | **Token:** <BB_3091>
**SMILES:** Brc1ccc2ccccc2c1I
**Molecular Formula:** C10H6BrI
**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_3092>. | Brc1ccc(C2=CCCCC2)nc1 | |
What is the building block token for the following molecule? | Brc1ccc(C2=CCCCC2)nc1 | <BB_3092> |
What is the molecular formula for <BB_3092>? | The molecular formula for <BB_3092> (Brc1ccc(C2=CCCCC2)nc1) is C11H12BrN. | |
Describe the ring structures in building block <BB_3092>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_3092>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3092>. | **Token:** <BB_3092>
**SMILES:** Brc1ccc(C2=CCCCC2)nc1
**Molecular Formula:** C11H12BrN
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3093>. | Fc1cccc(F)c1Cl | |
What is the building block token for the following molecule? | Fc1cccc(F)c1Cl | <BB_3093> |
What is the molecular formula for <BB_3093>? | The molecular formula for <BB_3093> (Fc1cccc(F)c1Cl) is C6H3ClF2. | |
Describe the ring structures in building block <BB_3093>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3093>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3093>. | **Token:** <BB_3093>
**SMILES:** Fc1cccc(F)c1Cl
**Molecular Formula:** C6H3ClF2
**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_3094>. | COC(=O)c1ccc2c(=O)n(CCO)c(S)nc2c1 | |
What is the building block token for the following molecule? | COC(=O)c1ccc2c(=O)n(CCO)c(S)nc2c1 | <BB_3094> |
What is the molecular formula for <BB_3094>? | The molecular formula for <BB_3094> (COC(=O)c1ccc2c(=O)n(CCO)c(S)nc2c1) is C12H12N2O4S. | |
Describe the ring structures in building block <BB_3094>. | 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_3094>. | The molecule contains the following groups: Ester, Alcohol, Ether, Thiol. | |
Provide a comprehensive chemical profile for the building block <BB_3094>. | **Token:** <BB_3094>
**SMILES:** COC(=O)c1ccc2c(=O)n(CCO)c(S)nc2c1
**Molecular Formula:** C12H12N2O4S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Ester, Alcohol, Ether, Thiol | |
Provide the SMILES representation for the building block token <BB_3095>. | Clc1ccc(OCCCN2CCCC2)cn1 | |
What is the building block token for the following molecule? | Clc1ccc(OCCCN2CCCC2)cn1 | <BB_3095> |
What is the molecular formula for <BB_3095>? | The molecular formula for <BB_3095> (Clc1ccc(OCCCN2CCCC2)cn1) is C12H17ClN2O. | |
Describe the ring structures in building block <BB_3095>. | 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_3095>. | The molecule contains the following groups: Tertiary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_3095>. | **Token:** <BB_3095>
**SMILES:** Clc1ccc(OCCCN2CCCC2)cn1
**Molecular Formula:** C12H17ClN2O
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 5.
**Functional Groups:** Tertiary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_3096>. | C#CCC1CCC(=O)C2CC12 | |
What is the building block token for the following molecule? | C#CCC1CCC(=O)C2CC12 | <BB_3096> |
What is the molecular formula for <BB_3096>? | The molecular formula for <BB_3096> (C#CCC1CCC(=O)C2CC12) is C10H12O. | |
Describe the ring structures in building block <BB_3096>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_3096>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_3096>. | **Token:** <BB_3096>
**SMILES:** C#CCC1CCC(=O)C2CC12
**Molecular Formula:** C10H12O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Ketone | |
Provide the SMILES representation for the building block token <BB_3097>. | OCC1Cc2ccccc21 | |
What is the building block token for the following molecule? | OCC1Cc2ccccc21 | <BB_3097> |
What is the molecular formula for <BB_3097>? | The molecular formula for <BB_3097> (OCC1Cc2ccccc21) is C9H10O. | |
Describe the ring structures in building block <BB_3097>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3097>. | The molecule contains the following groups: Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_3097>. | **Token:** <BB_3097>
**SMILES:** OCC1Cc2ccccc21
**Molecular Formula:** C9H10O
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aromatic ring of size 6.
**Functional Groups:** Alcohol | |
Provide the SMILES representation for the building block token <BB_3098>. | O=C(O)CC1CCC2(CC1)CCC2O | |
What is the building block token for the following molecule? | O=C(O)CC1CCC2(CC1)CCC2O | <BB_3098> |
What is the molecular formula for <BB_3098>? | The molecular formula for <BB_3098> (O=C(O)CC1CCC2(CC1)CCC2O) is C11H18O3. | |
Describe the ring structures in building block <BB_3098>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_3098>. | The molecule contains the following groups: Carboxylic Acid, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_3098>. | **Token:** <BB_3098>
**SMILES:** O=C(O)CC1CCC2(CC1)CCC2O
**Molecular Formula:** C11H18O3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Carboxylic Acid, Alcohol | |
Provide the SMILES representation for the building block token <BB_3099>. | CC(C)(C)OC(=O)C#Cc1ccncc1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)C#Cc1ccncc1 | <BB_3099> |
What is the molecular formula for <BB_3099>? | The molecular formula for <BB_3099> (CC(C)(C)OC(=O)C#Cc1ccncc1) is C12H13NO2. | |
Describe the ring structures in building block <BB_3099>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_3099>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_3099>. | **Token:** <BB_3099>
**SMILES:** CC(C)(C)OC(=O)C#Cc1ccncc1
**Molecular Formula:** C12H13NO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ester, Ether |
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