instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_9783>? | The molecular formula for <BB_9783> (C1Cc2nc(C3CCNCC3)sc2C1.Cl) is C11H17ClN2S. | |
Describe the ring structures in building block <BB_9783>. | The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 5, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9783>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9783>. | **Token:** <BB_9783>
**SMILES:** C1Cc2nc(C3CCNCC3)sc2C1.Cl
**Molecular Formula:** C11H17ClN2S
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 5, an aromatic ring of size 5, 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_9784>. | COC[C@@H]1CO1 | |
What is the building block token for the following molecule? | COC[C@@H]1CO1 | <BB_9784> |
What is the molecular formula for <BB_9784>? | The molecular formula for <BB_9784> (COC[C@@H]1CO1) is C4H8O2. | |
Describe the ring structures in building block <BB_9784>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_9784>. | The molecule contains the following groups: Ether. | |
Provide a comprehensive chemical profile for the building block <BB_9784>. | **Token:** <BB_9784>
**SMILES:** COC[C@@H]1CO1
**Molecular Formula:** C4H8O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Ether | |
Provide the SMILES representation for the building block token <BB_9785>. | CC1(C)C[C@@H](N)[C@H]1OCc1ccccc1.Cl | |
What is the building block token for the following molecule? | CC1(C)C[C@@H](N)[C@H]1OCc1ccccc1.Cl | <BB_9785> |
What is the molecular formula for <BB_9785>? | The molecular formula for <BB_9785> (CC1(C)C[C@@H](N)[C@H]1OCc1ccccc1.Cl) is C13H20ClNO. | |
Describe the ring structures in building block <BB_9785>. | 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_9785>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9785>. | **Token:** <BB_9785>
**SMILES:** CC1(C)C[C@@H](N)[C@H]1OCc1ccccc1.Cl
**Molecular Formula:** C13H20ClNO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, 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_9786>. | Cc1ccc(C2(C(=O)O)CC2)c(F)c1 | |
What is the building block token for the following molecule? | Cc1ccc(C2(C(=O)O)CC2)c(F)c1 | <BB_9786> |
What is the molecular formula for <BB_9786>? | The molecular formula for <BB_9786> (Cc1ccc(C2(C(=O)O)CC2)c(F)c1) is C11H11FO2. | |
Describe the ring structures in building block <BB_9786>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_9786>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9786>. | **Token:** <BB_9786>
**SMILES:** Cc1ccc(C2(C(=O)O)CC2)c(F)c1
**Molecular Formula:** C11H11FO2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9787>. | O=C1CCCC(N2C(=O)c3ccccc3C2=O)C1 | |
What is the building block token for the following molecule? | O=C1CCCC(N2C(=O)c3ccccc3C2=O)C1 | <BB_9787> |
What is the molecular formula for <BB_9787>? | The molecular formula for <BB_9787> (O=C1CCCC(N2C(=O)c3ccccc3C2=O)C1) is C14H13NO3. | |
Describe the ring structures in building block <BB_9787>. | The molecule contains 3 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5, an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9787>. | The molecule contains the following groups: Amide, Ketone. | |
Provide a comprehensive chemical profile for the building block <BB_9787>. | **Token:** <BB_9787>
**SMILES:** O=C1CCCC(N2C(=O)c3ccccc3C2=O)C1
**Molecular Formula:** C14H13NO3
**Ring System:** The molecule contains 3 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 5, an aromatic ring of size 6.
**Functional Groups:** Amide, Ketone | |
Provide the SMILES representation for the building block token <BB_9788>. | N=C(N)c1ccc2ccccc2c1 | |
What is the building block token for the following molecule? | N=C(N)c1ccc2ccccc2c1 | <BB_9788> |
What is the molecular formula for <BB_9788>? | The molecular formula for <BB_9788> (N=C(N)c1ccc2ccccc2c1) is C11H10N2. | |
Describe the ring structures in building block <BB_9788>. | 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_9788>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9788>. | **Token:** <BB_9788>
**SMILES:** N=C(N)c1ccc2ccccc2c1
**Molecular Formula:** C11H10N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 6.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_9789>. | NNC(=O)CC1CCCCC1 | |
What is the building block token for the following molecule? | NNC(=O)CC1CCCCC1 | <BB_9789> |
What is the molecular formula for <BB_9789>? | The molecular formula for <BB_9789> (NNC(=O)CC1CCCCC1) is C8H16N2O. | |
Describe the ring structures in building block <BB_9789>. | The molecule contains 1 ring(s): an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9789>. | The molecule contains the following groups: Amine, Amide. | |
Provide a comprehensive chemical profile for the building block <BB_9789>. | **Token:** <BB_9789>
**SMILES:** NNC(=O)CC1CCCCC1
**Molecular Formula:** C8H16N2O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 6.
**Functional Groups:** Amine, Amide | |
Provide the SMILES representation for the building block token <BB_9790>. | Cc1cccc(-n2nnc(C(=O)O)c2N)c1 | |
What is the building block token for the following molecule? | Cc1cccc(-n2nnc(C(=O)O)c2N)c1 | <BB_9790> |
What is the molecular formula for <BB_9790>? | The molecular formula for <BB_9790> (Cc1cccc(-n2nnc(C(=O)O)c2N)c1) is C10H10N4O2. | |
Describe the ring structures in building block <BB_9790>. | 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_9790>. | The molecule contains the following groups: Carboxylic Acid, Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9790>. | **Token:** <BB_9790>
**SMILES:** Cc1cccc(-n2nnc(C(=O)O)c2N)c1
**Molecular Formula:** C10H10N4O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Amine | |
Provide the SMILES representation for the building block token <BB_9791>. | C#Cc1ccc(Cl)nc1Cl | |
What is the building block token for the following molecule? | C#Cc1ccc(Cl)nc1Cl | <BB_9791> |
What is the molecular formula for <BB_9791>? | The molecular formula for <BB_9791> (C#Cc1ccc(Cl)nc1Cl) is C7H3Cl2N. | |
Describe the ring structures in building block <BB_9791>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9791>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9791>. | **Token:** <BB_9791>
**SMILES:** C#Cc1ccc(Cl)nc1Cl
**Molecular Formula:** C7H3Cl2N
**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_9792>. | Cl.N#C[C@@]1(CN)C[C@H]1C(F)(F)F | |
What is the building block token for the following molecule? | Cl.N#C[C@@]1(CN)C[C@H]1C(F)(F)F | <BB_9792> |
What is the molecular formula for <BB_9792>? | The molecular formula for <BB_9792> (Cl.N#C[C@@]1(CN)C[C@H]1C(F)(F)F) is C6H8ClF3N2. | |
Describe the ring structures in building block <BB_9792>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_9792>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_9792>. | **Token:** <BB_9792>
**SMILES:** Cl.N#C[C@@]1(CN)C[C@H]1C(F)(F)F
**Molecular Formula:** C6H8ClF3N2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I), Nitrile | |
Provide the SMILES representation for the building block token <BB_9793>. | CC(C)(C)OC(=O)N1CCCC2CCNCC21.Cl | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)N1CCCC2CCNCC21.Cl | <BB_9793> |
What is the molecular formula for <BB_9793>? | The molecular formula for <BB_9793> (CC(C)(C)OC(=O)N1CCCC2CCNCC21.Cl) is C13H25ClN2O2. | |
Describe the ring structures in building block <BB_9793>. | 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_9793>. | The molecule contains the following groups: Secondary Amine, Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9793>. | **Token:** <BB_9793>
**SMILES:** CC(C)(C)OC(=O)N1CCCC2CCNCC21.Cl
**Molecular Formula:** C13H25ClN2O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Amide, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9794>. | Brc1ccc2ncc(I)n2c1 | |
What is the building block token for the following molecule? | Brc1ccc2ncc(I)n2c1 | <BB_9794> |
What is the molecular formula for <BB_9794>? | The molecular formula for <BB_9794> (Brc1ccc2ncc(I)n2c1) is C7H4BrIN2. | |
Describe the ring structures in building block <BB_9794>. | 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_9794>. | The molecule contains the following groups: Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9794>. | **Token:** <BB_9794>
**SMILES:** Brc1ccc2ncc(I)n2c1
**Molecular Formula:** C7H4BrIN2
**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_9795>. | Cc1cc(F)ccc1C#N | |
What is the building block token for the following molecule? | Cc1cc(F)ccc1C#N | <BB_9795> |
What is the molecular formula for <BB_9795>? | The molecular formula for <BB_9795> (Cc1cc(F)ccc1C#N) is C8H6FN. | |
Describe the ring structures in building block <BB_9795>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9795>. | The molecule contains the following groups: Halogen (F,Cl,Br,I), Nitrile. | |
Provide a comprehensive chemical profile for the building block <BB_9795>. | **Token:** <BB_9795>
**SMILES:** Cc1cc(F)ccc1C#N
**Molecular Formula:** C8H6FN
**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_9796>. | C1COCC2(N1)C1CC3CC(C1)CC2C3.Cl | |
What is the building block token for the following molecule? | C1COCC2(N1)C1CC3CC(C1)CC2C3.Cl | <BB_9796> |
What is the molecular formula for <BB_9796>? | The molecular formula for <BB_9796> (C1COCC2(N1)C1CC3CC(C1)CC2C3.Cl) is C13H22ClNO. | |
Describe the ring structures in building block <BB_9796>. | The molecule contains 5 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6. | |
List the primary functional groups present in <BB_9796>. | The molecule contains the following groups: Secondary Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9796>. | **Token:** <BB_9796>
**SMILES:** C1COCC2(N1)C1CC3CC(C1)CC2C3.Cl
**Molecular Formula:** C13H22ClNO
**Ring System:** The molecule contains 5 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_9797>. | Nc1cn[nH]c1C1CCNC1 | |
What is the building block token for the following molecule? | Nc1cn[nH]c1C1CCNC1 | <BB_9797> |
What is the molecular formula for <BB_9797>? | The molecular formula for <BB_9797> (Nc1cn[nH]c1C1CCNC1) is C7H12N4. | |
Describe the ring structures in building block <BB_9797>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_9797>. | The molecule contains the following groups: Amine, Secondary Amine. | |
Provide a comprehensive chemical profile for the building block <BB_9797>. | **Token:** <BB_9797>
**SMILES:** Nc1cn[nH]c1C1CCNC1
**Molecular Formula:** C7H12N4
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Amine, Secondary Amine | |
Provide the SMILES representation for the building block token <BB_9798>. | CC(C)(C)OC(=O)NCc1cccc(CBr)c1 | |
What is the building block token for the following molecule? | CC(C)(C)OC(=O)NCc1cccc(CBr)c1 | <BB_9798> |
What is the molecular formula for <BB_9798>? | The molecular formula for <BB_9798> (CC(C)(C)OC(=O)NCc1cccc(CBr)c1) is C13H18BrNO2. | |
Describe the ring structures in building block <BB_9798>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_9798>. | The molecule contains the following groups: Amide, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9798>. | **Token:** <BB_9798>
**SMILES:** CC(C)(C)OC(=O)NCc1cccc(CBr)c1
**Molecular Formula:** C13H18BrNO2
**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_9799>. | NC(c1cc(F)ccc1F)C1CC1 | |
What is the building block token for the following molecule? | NC(c1cc(F)ccc1F)C1CC1 | <BB_9799> |
What is the molecular formula for <BB_9799>? | The molecular formula for <BB_9799> (NC(c1cc(F)ccc1F)C1CC1) is C10H11F2N. | |
Describe the ring structures in building block <BB_9799>. | The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_9799>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_9799>. | **Token:** <BB_9799>
**SMILES:** NC(c1cc(F)ccc1F)C1CC1
**Molecular Formula:** C10H11F2N
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) |
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