instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
Provide the SMILES representation for the building block token <BB_900>. | CC(C)(C)Oc1cccc(CCN=C=O)n1 | |
What is the building block token for the following molecule? | CC(C)(C)Oc1cccc(CCN=C=O)n1 | <BB_900> |
What is the molecular formula for <BB_900>? | The molecular formula for <BB_900> (CC(C)(C)Oc1cccc(CCN=C=O)n1) is C12H16N2O2. | |
Describe the ring structures in building block <BB_900>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_900>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_900>. | **Token:** <BB_900>
**SMILES:** CC(C)(C)Oc1cccc(CCN=C=O)n1
**Molecular Formula:** C12H16N2O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_901>. | FC(F)(F)c1cnc(I)nc1 | |
What is the building block token for the following molecule? | FC(F)(F)c1cnc(I)nc1 | <BB_901> |
What is the molecular formula for <BB_901>? | The molecular formula for <BB_901> (FC(F)(F)c1cnc(I)nc1) is C5H2F3IN2. | |
Describe the ring structures in building block <BB_901>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_901>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_901>. | **Token:** <BB_901>
**SMILES:** FC(F)(F)c1cnc(I)nc1
**Molecular Formula:** C5H2F3IN2
**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_902>. | Cn1cc(C(=O)O)c2ncccc21 | |
What is the building block token for the following molecule? | Cn1cc(C(=O)O)c2ncccc21 | <BB_902> |
What is the molecular formula for <BB_902>? | The molecular formula for <BB_902> (Cn1cc(C(=O)O)c2ncccc21) is C9H8N2O2. | |
Describe the ring structures in building block <BB_902>. | 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_902>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_902>. | **Token:** <BB_902>
**SMILES:** Cn1cc(C(=O)O)c2ncccc21
**Molecular Formula:** C9H8N2O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_903>. | N#Cc1cnccc1S | |
What is the building block token for the following molecule? | N#Cc1cnccc1S | <BB_903> |
What is the molecular formula for <BB_903>? | The molecular formula for <BB_903> (N#Cc1cnccc1S) is C6H4N2S. | |
Describe the ring structures in building block <BB_903>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_903>. | The molecule contains the following groups: Thiol, Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_903>. | **Token:** <BB_903>
**SMILES:** N#Cc1cnccc1S
**Molecular Formula:** C6H4N2S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Thiol, Nitrile | |
Provide the SMILES representation for the building block token <BB_904>. | Cc1ccc(Nc2nnc(S)s2)c(C)c1 | |
What is the building block token for the following molecule? | Cc1ccc(Nc2nnc(S)s2)c(C)c1 | <BB_904> |
What is the molecular formula for <BB_904>? | The molecular formula for <BB_904> (Cc1ccc(Nc2nnc(S)s2)c(C)c1) is C10H11N3S2. | |
Describe the ring structures in building block <BB_904>. | 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_904>. | The molecule contains the following groups: Secondary Amine, Thiol. | |
Provide a comprehensive chemical profile for the building block <BB_904>. | **Token:** <BB_904>
**SMILES:** Cc1ccc(Nc2nnc(S)s2)c(C)c1
**Molecular Formula:** C10H11N3S2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Secondary Amine, Thiol | |
Provide the SMILES representation for the building block token <BB_905>. | CCc1c(N)noc1-c1ccc(Cl)s1 | |
What is the building block token for the following molecule? | CCc1c(N)noc1-c1ccc(Cl)s1 | <BB_905> |
What is the molecular formula for <BB_905>? | The molecular formula for <BB_905> (CCc1c(N)noc1-c1ccc(Cl)s1) is C9H9ClN2OS. | |
Describe the ring structures in building block <BB_905>. | 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_905>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_905>. | **Token:** <BB_905>
**SMILES:** CCc1c(N)noc1-c1ccc(Cl)s1
**Molecular Formula:** C9H9ClN2OS
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aromatic ring of size 5.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_906>. | CC1(C)OB(c2cc(C#N)ccc2O)OC1(C)C | |
What is the building block token for the following molecule? | CC1(C)OB(c2cc(C#N)ccc2O)OC1(C)C | <BB_906> |
What is the molecular formula for <BB_906>? | The molecular formula for <BB_906> (CC1(C)OB(c2cc(C#N)ccc2O)OC1(C)C) is C13H16BNO3. | |
Describe the ring structures in building block <BB_906>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_906>. | The molecule contains the following groups: Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_906>. | **Token:** <BB_906>
**SMILES:** CC1(C)OB(c2cc(C#N)ccc2O)OC1(C)C
**Molecular Formula:** C13H16BNO3
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Nitrile | |
Provide the SMILES representation for the building block token <BB_907>. | CCc1cccnc1C(C)=O | |
What is the building block token for the following molecule? | CCc1cccnc1C(C)=O | <BB_907> |
What is the molecular formula for <BB_907>? | The molecular formula for <BB_907> (CCc1cccnc1C(C)=O) is C9H11NO. | |
Describe the ring structures in building block <BB_907>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_907>. | The molecule contains the following groups: Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_907>. | **Token:** <BB_907>
**SMILES:** CCc1cccnc1C(C)=O
**Molecular Formula:** C9H11NO
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Ketone | |
Provide the SMILES representation for the building block token <BB_908>. | Clc1ncnc2cc(Br)sc12 | |
What is the building block token for the following molecule? | Clc1ncnc2cc(Br)sc12 | <BB_908> |
What is the molecular formula for <BB_908>? | The molecular formula for <BB_908> (Clc1ncnc2cc(Br)sc12) is C6H2BrClN2S. | |
Describe the ring structures in building block <BB_908>. | 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_908>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_908>. | **Token:** <BB_908>
**SMILES:** Clc1ncnc2cc(Br)sc12
**Molecular Formula:** C6H2BrClN2S
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_909>. | O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Zr+4] | |
What is the building block token for the following molecule? | O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Zr+4] | <BB_909> |
What is the molecular formula for <BB_909>? | The molecular formula for <BB_909> (O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Zr+4]) is N4O12Zr. | |
Describe the ring structures in building block <BB_909>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_909>. | The molecule contains the following groups: Tertiary Amine, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_909>. | **Token:** <BB_909>
**SMILES:** O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Zr+4]
**Molecular Formula:** N4O12Zr
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Tertiary Amine, Nitro | |
Provide the SMILES representation for the building block token <BB_910>. | Cl.FC1(Br)CC12CCNCC2 | |
What is the building block token for the following molecule? | Cl.FC1(Br)CC12CCNCC2 | <BB_910> |
What is the molecular formula for <BB_910>? | The molecular formula for <BB_910> (Cl.FC1(Br)CC12CCNCC2) is C7H12BrClFN. | |
Describe the ring structures in building block <BB_910>. | The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_910>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_910>. | **Token:** <BB_910>
**SMILES:** Cl.FC1(Br)CC12CCNCC2
**Molecular Formula:** C7H12BrClFN
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 3, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_911>. | Cc1c(C(=O)O)c[nH]c1C=O | |
What is the building block token for the following molecule? | Cc1c(C(=O)O)c[nH]c1C=O | <BB_911> |
What is the molecular formula for <BB_911>? | The molecular formula for <BB_911> (Cc1c(C(=O)O)c[nH]c1C=O) is C7H7NO3. | |
Describe the ring structures in building block <BB_911>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_911>. | The molecule contains the following groups: Carboxylic Acid, Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_911>. | **Token:** <BB_911>
**SMILES:** Cc1c(C(=O)O)c[nH]c1C=O
**Molecular Formula:** C7H7NO3
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Aldehyde | |
Provide the SMILES representation for the building block token <BB_912>. | CS(=O)(=O)OCC1CCCC(C(F)(F)F)C1 | |
What is the building block token for the following molecule? | CS(=O)(=O)OCC1CCCC(C(F)(F)F)C1 | <BB_912> |
What is the molecular formula for <BB_912>? | The molecular formula for <BB_912> (CS(=O)(=O)OCC1CCCC(C(F)(F)F)C1) is C9H15F3O3S. | |
Describe the ring structures in building block <BB_912>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_912>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_912>. | **Token:** <BB_912>
**SMILES:** CS(=O)(=O)OCC1CCCC(C(F)(F)F)C1
**Molecular Formula:** C9H15F3O3S
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_913>. | C[C@H](N)CCCNC(=O)OC(C)(C)C | |
What is the building block token for the following molecule? | C[C@H](N)CCCNC(=O)OC(C)(C)C | <BB_913> |
What is the molecular formula for <BB_913>? | The molecular formula for <BB_913> (C[C@H](N)CCCNC(=O)OC(C)(C)C) is C10H22N2O2. | |
Describe the ring structures in building block <BB_913>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_913>. | The molecule contains the following groups: Amine, Amide, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_913>. | **Token:** <BB_913>
**SMILES:** C[C@H](N)CCCNC(=O)OC(C)(C)C
**Molecular Formula:** C10H22N2O2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Amide, Ether | |
Provide the SMILES representation for the building block token <BB_914>. | C=CC(=O)OCC(F)(F)F | |
What is the building block token for the following molecule? | C=CC(=O)OCC(F)(F)F | <BB_914> |
What is the molecular formula for <BB_914>? | The molecular formula for <BB_914> (C=CC(=O)OCC(F)(F)F) is C5H5F3O2. | |
Describe the ring structures in building block <BB_914>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_914>. | The molecule contains the following groups: Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_914>. | **Token:** <BB_914>
**SMILES:** C=CC(=O)OCC(F)(F)F
**Molecular Formula:** C5H5F3O2
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_915>. | C[C@@H](CN)SC(F)F.Cl | |
What is the building block token for the following molecule? | C[C@@H](CN)SC(F)F.Cl | <BB_915> |
What is the molecular formula for <BB_915>? | The molecular formula for <BB_915> (C[C@@H](CN)SC(F)F.Cl) is C4H10ClF2NS. | |
Describe the ring structures in building block <BB_915>. | The molecule is acyclic (contains no rings). | |
List the primary functional groups present in <BB_915>. | The molecule contains the following groups: Amine, Sulfide, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_915>. | **Token:** <BB_915>
**SMILES:** C[C@@H](CN)SC(F)F.Cl
**Molecular Formula:** C4H10ClF2NS
**Ring System:** The molecule is acyclic (contains no rings).
**Functional Groups:** Amine, Sulfide, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_916>. | CC(C)(C)Oc1ccc(S(=O)[O-])cn1.[Li+] | |
What is the building block token for the following molecule? | CC(C)(C)Oc1ccc(S(=O)[O-])cn1.[Li+] | <BB_916> |
What is the molecular formula for <BB_916>? | The molecular formula for <BB_916> (CC(C)(C)Oc1ccc(S(=O)[O-])cn1.[Li+]) is C9H12LiNO3S. | |
Describe the ring structures in building block <BB_916>. | The molecule contains 1 ring(s): an aromatic ring of size 6. |
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