instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_8900>. | CO[C@H]1C[C@H](CCS(=O)(=O)Cl)C1 | |
What is the building block token for the following molecule? | CO[C@H]1C[C@H](CCS(=O)(=O)Cl)C1 | <BB_8900> |
What is the molecular formula for <BB_8900>? | The molecular formula for <BB_8900> (CO[C@H]1C[C@H](CCS(=O)(=O)Cl)C1) is C7H13ClO3S. | |
Describe the ring structures in building block <BB_8900>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_8900>. | The molecule contains the following groups: Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_8900>. | **Token:** <BB_8900>
**SMILES:** CO[C@H]1C[C@H](CCS(=O)(=O)Cl)C1
**Molecular Formula:** C7H13ClO3S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_8901>. | Cc1cc(Cl)ncc1C#N | |
What is the building block token for the following molecule? | Cc1cc(Cl)ncc1C#N | <BB_8901> |
What is the molecular formula for <BB_8901>? | The molecular formula for <BB_8901> (Cc1cc(Cl)ncc1C#N) is C7H5ClN2. | |
Describe the ring structures in building block <BB_8901>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_8901>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_8901>. | **Token:** <BB_8901>
**SMILES:** Cc1cc(Cl)ncc1C#N
**Molecular Formula:** C7H5ClN2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_8902>. | CCC(C)c1ccc(S(=O)(=O)Cl)cc1 | |
What is the building block token for the following molecule? | CCC(C)c1ccc(S(=O)(=O)Cl)cc1 | <BB_8902> |
What is the molecular formula for <BB_8902>? | The molecular formula for <BB_8902> (CCC(C)c1ccc(S(=O)(=O)Cl)cc1) is C10H13ClO2S. | |
Describe the ring structures in building block <BB_8902>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_8902>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_8902>. | **Token:** <BB_8902>
**SMILES:** CCC(C)c1ccc(S(=O)(=O)Cl)cc1
**Molecular Formula:** C10H13ClO2S
**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_8903>. | O=[N+]([O-])c1cc(Cl)c(Cl)c(Cl)c1 | |
What is the building block token for the following molecule? | O=[N+]([O-])c1cc(Cl)c(Cl)c(Cl)c1 | <BB_8903> |
What is the molecular formula for <BB_8903>? | The molecular formula for <BB_8903> (O=[N+]([O-])c1cc(Cl)c(Cl)c(Cl)c1) is C6H2Cl3NO2. | |
Describe the ring structures in building block <BB_8903>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_8903>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_8903>. | **Token:** <BB_8903>
**SMILES:** O=[N+]([O-])c1cc(Cl)c(Cl)c(Cl)c1
**Molecular Formula:** C6H2Cl3NO2
**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_8904>. | COCC1(C(=O)O)CCOCC1 | |
What is the building block token for the following molecule? | COCC1(C(=O)O)CCOCC1 | <BB_8904> |
What is the molecular formula for <BB_8904>? | The molecular formula for <BB_8904> (COCC1(C(=O)O)CCOCC1) is C8H14O4. | |
Describe the ring structures in building block <BB_8904>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_8904>. | The molecule contains the following groups: Carboxylic Acid, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_8904>. | **Token:** <BB_8904>
**SMILES:** COCC1(C(=O)O)CCOCC1
**Molecular Formula:** C8H14O4
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Ether | |
Provide the SMILES representation for the building block token <BB_8905>. | Cl.Cl.NC1CCC(C(F)(F)F)NC1 | |
What is the building block token for the following molecule? | Cl.Cl.NC1CCC(C(F)(F)F)NC1 | <BB_8905> |
What is the molecular formula for <BB_8905>? | The molecular formula for <BB_8905> (Cl.Cl.NC1CCC(C(F)(F)F)NC1) is C6H13Cl2F3N2. | |
Describe the ring structures in building block <BB_8905>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_8905>. | The molecule contains the following groups: Amine, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_8905>. | **Token:** <BB_8905>
**SMILES:** Cl.Cl.NC1CCC(C(F)(F)F)NC1
**Molecular Formula:** C6H13Cl2F3N2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_8906>. | CC(C)(O)c1cnc(Cl)nc1 | |
What is the building block token for the following molecule? | CC(C)(O)c1cnc(Cl)nc1 | <BB_8906> |
What is the molecular formula for <BB_8906>? | The molecular formula for <BB_8906> (CC(C)(O)c1cnc(Cl)nc1) is C7H9ClN2O. | |
Describe the ring structures in building block <BB_8906>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_8906>. | The molecule contains the following groups: Alcohol, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_8906>. | **Token:** <BB_8906>
**SMILES:** CC(C)(O)c1cnc(Cl)nc1
**Molecular Formula:** C7H9ClN2O
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Alcohol, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_8907>. | C[S+](C)CCC(O)C(=O)O.O=S(=O)([O-])O | |
What is the building block token for the following molecule? | C[S+](C)CCC(O)C(=O)O.O=S(=O)([O-])O | <BB_8907> |
What is the molecular formula for <BB_8907>? | The molecular formula for <BB_8907> (C[S+](C)CCC(O)C(=O)O.O=S(=O)([O-])O) is C6H14O7S2. | |
Describe the ring structures in building block <BB_8907>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_8907>. | The molecule contains the following groups: Carboxylic Acid, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_8907>. | **Token:** <BB_8907>
**SMILES:** C[S+](C)CCC(O)C(=O)O.O=S(=O)([O-])O
**Molecular Formula:** C6H14O7S2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Carboxylic Acid, Alcohol | |
Provide the SMILES representation for the building block token <BB_8908>. | CCOC(=O)c1c(N)sc2c1CCN(C)C2 | |
What is the building block token for the following molecule? | CCOC(=O)c1c(N)sc2c1CCN(C)C2 | <BB_8908> |
What is the molecular formula for <BB_8908>? | The molecular formula for <BB_8908> (CCOC(=O)c1c(N)sc2c1CCN(C)C2) is C11H16N2O2S. | |
Describe the ring structures in building block <BB_8908>. | 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_8908>. | The molecule contains the following groups: Amine, Tertiary Amine, Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_8908>. | **Token:** <BB_8908>
**SMILES:** CCOC(=O)c1c(N)sc2c1CCN(C)C2
**Molecular Formula:** C11H16N2O2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine, Ester, Ether | |
Provide the SMILES representation for the building block token <BB_8909>. | O=Cc1cc2c(nc1Cl)CCOC2 | |
What is the building block token for the following molecule? | O=Cc1cc2c(nc1Cl)CCOC2 | <BB_8909> |
What is the molecular formula for <BB_8909>? | The molecular formula for <BB_8909> (O=Cc1cc2c(nc1Cl)CCOC2) is C9H8ClNO2. | |
Describe the ring structures in building block <BB_8909>. | 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_8909>. | The molecule contains the following groups: Aldehyde, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_8909>. | **Token:** <BB_8909>
**SMILES:** O=Cc1cc2c(nc1Cl)CCOC2
**Molecular Formula:** C9H8ClNO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Aldehyde, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_8910>. | COC(=O)C1(C2=CCNCC2)CCC1.Cl | |
What is the building block token for the following molecule? | COC(=O)C1(C2=CCNCC2)CCC1.Cl | <BB_8910> |
What is the molecular formula for <BB_8910>? | The molecular formula for <BB_8910> (COC(=O)C1(C2=CCNCC2)CCC1.Cl) is C11H18ClNO2. | |
Describe the ring structures in building block <BB_8910>. | 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_8910>. | 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_8910>. | **Token:** <BB_8910>
**SMILES:** COC(=O)C1(C2=CCNCC2)CCC1.Cl
**Molecular Formula:** C11H18ClNO2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 4.
**Functional Groups:** Secondary Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_8911>. | COc1ccc(Cl)c(Cl)c1C=O | |
What is the building block token for the following molecule? | COc1ccc(Cl)c(Cl)c1C=O | <BB_8911> |
What is the molecular formula for <BB_8911>? | The molecular formula for <BB_8911> (COc1ccc(Cl)c(Cl)c1C=O) is C8H6Cl2O2. | |
Describe the ring structures in building block <BB_8911>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_8911>. | The molecule contains the following groups: Aldehyde, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_8911>. | **Token:** <BB_8911>
**SMILES:** COc1ccc(Cl)c(Cl)c1C=O
**Molecular Formula:** C8H6Cl2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Aldehyde, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_8912>. | NCC1CCN(CCc2ccccc2)CC1 | |
What is the building block token for the following molecule? | NCC1CCN(CCc2ccccc2)CC1 | <BB_8912> |
What is the molecular formula for <BB_8912>? | The molecular formula for <BB_8912> (NCC1CCN(CCc2ccccc2)CC1) is C14H22N2. | |
Describe the ring structures in building block <BB_8912>. | 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_8912>. | The molecule contains the following groups: Amine, Tertiary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_8912>. | **Token:** <BB_8912>
**SMILES:** NCC1CCN(CCc2ccccc2)CC1
**Molecular Formula:** C14H22N2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine, Tertiary Amine | |
Provide the SMILES representation for the building block token <BB_8913>. | COc1cc(OC)sn1 | |
What is the building block token for the following molecule? | COc1cc(OC)sn1 | <BB_8913> |
What is the molecular formula for <BB_8913>? | The molecular formula for <BB_8913> (COc1cc(OC)sn1) is C5H7NO2S. | |
Describe the ring structures in building block <BB_8913>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_8913>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_8913>. | **Token:** <BB_8913>
**SMILES:** COc1cc(OC)sn1
**Molecular Formula:** C5H7NO2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_8914>. | O=C(O)C1CCN(C(=O)C=Cc2ccccc2)CC1 | |
What is the building block token for the following molecule? | O=C(O)C1CCN(C(=O)C=Cc2ccccc2)CC1 | <BB_8914> |
What is the molecular formula for <BB_8914>? | The molecular formula for <BB_8914> (O=C(O)C1CCN(C(=O)C=Cc2ccccc2)CC1) is C15H17NO3. | |
Describe the ring structures in building block <BB_8914>. | 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_8914>. | The molecule contains the following groups: Carboxylic Acid, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_8914>. | **Token:** <BB_8914>
**SMILES:** O=C(O)C1CCN(C(=O)C=Cc2ccccc2)CC1
**Molecular Formula:** C15H17NO3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid, Amide | |
Provide the SMILES representation for the building block token <BB_8915>. | CCOC(=O)Cc1nc(C(C)C)c(C)s1 | |
What is the building block token for the following molecule? | CCOC(=O)Cc1nc(C(C)C)c(C)s1 | <BB_8915> |
What is the molecular formula for <BB_8915>? | The molecular formula for <BB_8915> (CCOC(=O)Cc1nc(C(C)C)c(C)s1) is C11H17NO2S. | |
Describe the ring structures in building block <BB_8915>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_8915>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_8915>. | **Token:** <BB_8915>
**SMILES:** CCOC(=O)Cc1nc(C(C)C)c(C)s1
**Molecular Formula:** C11H17NO2S
**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_8916>. | CC(C)(C)OC(=O)N1CC2CCC1(C=O)CC2 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CC2CCC1(C=O)CC2 | <BB_8916> |
What is the molecular formula for <BB_8916>? | The molecular formula for <BB_8916> (CC(C)(C)OC(=O)N1CC2CCC1(C=O)CC2) is C13H21NO3. | |
Describe the ring structures in building block <BB_8916>. | The molecule contains 3 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6. |
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