instruction stringlengths 41 142 | input stringlengths 0 478 | output stringlengths 4 382 |
|---|---|---|
What is the molecular formula for <BB_2283>? | The molecular formula for <BB_2283> (c1cnn(C2CC2)c1) is C6H8N2. | |
Describe the ring structures in building block <BB_2283>. | The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_2283>. | The molecule contains the following groups: None specific. | |
Provide a comprehensive chemical profile for the building block <BB_2283>. | **Token:** <BB_2283>
**SMILES:** c1cnn(C2CC2)c1
**Molecular Formula:** C6H8N2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** None specific | |
Provide the SMILES representation for the building block token <BB_2284>. | CC1(C)[C@H](O)[C@H]2CCN[C@H]21 | |
What is the building block token for the following molecule? | CC1(C)[C@H](O)[C@H]2CCN[C@H]21 | <BB_2284> |
What is the molecular formula for <BB_2284>? | The molecular formula for <BB_2284> (CC1(C)[C@H](O)[C@H]2CCN[C@H]21) is C8H15NO. | |
Describe the ring structures in building block <BB_2284>. | The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2284>. | The molecule contains the following groups: Secondary Amine, Alcohol. | |
Provide a comprehensive chemical profile for the building block <BB_2284>. | **Token:** <BB_2284>
**SMILES:** CC1(C)[C@H](O)[C@H]2CCN[C@H]21
**Molecular Formula:** C8H15NO
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 4, an aliphatic ring of size 5.
**Functional Groups:** Secondary Amine, Alcohol | |
Provide the SMILES representation for the building block token <BB_2285>. | COCC1CCCN1N | |
What is the building block token for the following molecule? | COCC1CCCN1N | <BB_2285> |
What is the molecular formula for <BB_2285>? | The molecular formula for <BB_2285> (COCC1CCCN1N) is C6H14N2O. | |
Describe the ring structures in building block <BB_2285>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2285>. | The molecule contains the following groups: Amine, Tertiary Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2285>. | **Token:** <BB_2285>
**SMILES:** COCC1CCCN1N
**Molecular Formula:** C6H14N2O
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amine, Tertiary Amine, Ether | |
Provide the SMILES representation for the building block token <BB_2286>. | NCCCC1CCCO1 | |
What is the building block token for the following molecule? | NCCCC1CCCO1 | <BB_2286> |
What is the molecular formula for <BB_2286>? | The molecular formula for <BB_2286> (NCCCC1CCCO1) is C7H15NO. | |
Describe the ring structures in building block <BB_2286>. | The molecule contains 1 ring(s): an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2286>. | The molecule contains the following groups: Amine, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2286>. | **Token:** <BB_2286>
**SMILES:** NCCCC1CCCO1
**Molecular Formula:** C7H15NO
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 5.
**Functional Groups:** Amine, Ether | |
Provide the SMILES representation for the building block token <BB_2287>. | CCOC(=O)C(CN)Cc1ccccc1.Cl | |
What is the building block token for the following molecule? | CCOC(=O)C(CN)Cc1ccccc1.Cl | <BB_2287> |
What is the molecular formula for <BB_2287>? | The molecular formula for <BB_2287> (CCOC(=O)C(CN)Cc1ccccc1.Cl) is C12H18ClNO2. | |
Describe the ring structures in building block <BB_2287>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2287>. | The molecule contains the following groups: Amine, Ester, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2287>. | **Token:** <BB_2287>
**SMILES:** CCOC(=O)C(CN)Cc1ccccc1.Cl
**Molecular Formula:** C12H18ClNO2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Amine, Ester, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2288>. | Cc1cccc(Cn2cc(Br)c([N+](=O)[O-])n2)c1 | |
What is the building block token for the following molecule? | Cc1cccc(Cn2cc(Br)c([N+](=O)[O-])n2)c1 | <BB_2288> |
What is the molecular formula for <BB_2288>? | The molecular formula for <BB_2288> (Cc1cccc(Cn2cc(Br)c([N+](=O)[O-])n2)c1) is C11H10BrN3O2. | |
Describe the ring structures in building block <BB_2288>. | 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_2288>. | The molecule contains the following groups: Tertiary Amine, Halogen (F,Cl,Br,I), Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_2288>. | **Token:** <BB_2288>
**SMILES:** Cc1cccc(Cn2cc(Br)c([N+](=O)[O-])n2)c1
**Molecular Formula:** C11H10BrN3O2
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Tertiary Amine, Halogen (F,Cl,Br,I), Nitro | |
Provide the SMILES representation for the building block token <BB_2289>. | COc1ccc(-n2c(C)cc(C=O)c2C)cc1OC | |
What is the building block token for the following molecule? | COc1ccc(-n2c(C)cc(C=O)c2C)cc1OC | <BB_2289> |
What is the molecular formula for <BB_2289>? | The molecular formula for <BB_2289> (COc1ccc(-n2c(C)cc(C=O)c2C)cc1OC) is C15H17NO3. | |
Describe the ring structures in building block <BB_2289>. | 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_2289>. | The molecule contains the following groups: Aldehyde, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2289>. | **Token:** <BB_2289>
**SMILES:** COc1ccc(-n2c(C)cc(C=O)c2C)cc1OC
**Molecular Formula:** C15H17NO3
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Aldehyde, Ether | |
Provide the SMILES representation for the building block token <BB_2290>. | CC1Cn2nc(C(=O)O)cc2CN1.Cl | |
What is the building block token for the following molecule? | CC1Cn2nc(C(=O)O)cc2CN1.Cl | <BB_2290> |
What is the molecular formula for <BB_2290>? | The molecular formula for <BB_2290> (CC1Cn2nc(C(=O)O)cc2CN1.Cl) is C8H12ClN3O2. | |
Describe the ring structures in building block <BB_2290>. | The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2290>. | The molecule contains the following groups: Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2290>. | **Token:** <BB_2290>
**SMILES:** CC1Cn2nc(C(=O)O)cc2CN1.Cl
**Molecular Formula:** C8H12ClN3O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Secondary Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2291>. | COc1ccc(C(N)C2CC2)cc1Cl.Cl | |
What is the building block token for the following molecule? | COc1ccc(C(N)C2CC2)cc1Cl.Cl | <BB_2291> |
What is the molecular formula for <BB_2291>? | The molecular formula for <BB_2291> (COc1ccc(C(N)C2CC2)cc1Cl.Cl) is C11H15Cl2NO. | |
Describe the ring structures in building block <BB_2291>. | 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_2291>. | The molecule contains the following groups: Amine, Ether, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2291>. | **Token:** <BB_2291>
**SMILES:** COc1ccc(C(N)C2CC2)cc1Cl.Cl
**Molecular Formula:** C11H15Cl2NO
**Ring System:** The molecule contains 2 ring(s): an aromatic ring of size 6, an aliphatic ring of size 3.
**Functional Groups:** Amine, Ether, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2292>. | C#CC1(C(=O)OC)CC1 | |
What is the building block token for the following molecule? | C#CC1(C(=O)OC)CC1 | <BB_2292> |
What is the molecular formula for <BB_2292>? | The molecular formula for <BB_2292> (C#CC1(C(=O)OC)CC1) is C7H8O2. | |
Describe the ring structures in building block <BB_2292>. | The molecule contains 1 ring(s): an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_2292>. | The molecule contains the following groups: Ester, Ether. | |
Provide a comprehensive chemical profile for the building block <BB_2292>. | **Token:** <BB_2292>
**SMILES:** C#CC1(C(=O)OC)CC1
**Molecular Formula:** C7H8O2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 3.
**Functional Groups:** Ester, Ether | |
Provide the SMILES representation for the building block token <BB_2293>. | O=C(O)C1CC2C=CC1C2 | |
What is the building block token for the following molecule? | O=C(O)C1CC2C=CC1C2 | <BB_2293> |
What is the molecular formula for <BB_2293>? | The molecular formula for <BB_2293> (O=C(O)C1CC2C=CC1C2) is C8H10O2. | |
Describe the ring structures in building block <BB_2293>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5. | |
List the primary functional groups present in <BB_2293>. | The molecule contains the following groups: Carboxylic Acid. | |
Provide a comprehensive chemical profile for the building block <BB_2293>. | **Token:** <BB_2293>
**SMILES:** O=C(O)C1CC2C=CC1C2
**Molecular Formula:** C8H10O2
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 5.
**Functional Groups:** Carboxylic Acid | |
Provide the SMILES representation for the building block token <BB_2294>. | NCC1CCC2(CC2)C1 | |
What is the building block token for the following molecule? | NCC1CCC2(CC2)C1 | <BB_2294> |
What is the molecular formula for <BB_2294>? | The molecular formula for <BB_2294> (NCC1CCC2(CC2)C1) is C8H15N. | |
Describe the ring structures in building block <BB_2294>. | The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 3. | |
List the primary functional groups present in <BB_2294>. | The molecule contains the following groups: Amine. | |
Provide a comprehensive chemical profile for the building block <BB_2294>. | **Token:** <BB_2294>
**SMILES:** NCC1CCC2(CC2)C1
**Molecular Formula:** C8H15N
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 5, an aliphatic ring of size 3.
**Functional Groups:** Amine | |
Provide the SMILES representation for the building block token <BB_2295>. | Cc1cccc([N+](=O)[O-])c1N=[N+]=[N-] | |
What is the building block token for the following molecule? | Cc1cccc([N+](=O)[O-])c1N=[N+]=[N-] | <BB_2295> |
What is the molecular formula for <BB_2295>? | The molecular formula for <BB_2295> (Cc1cccc([N+](=O)[O-])c1N=[N+]=[N-]) is C7H6N4O2. | |
Describe the ring structures in building block <BB_2295>. | The molecule contains 1 ring(s): an aromatic ring of size 6. | |
List the primary functional groups present in <BB_2295>. | The molecule contains the following groups: Tertiary Amine, Nitro. | |
Provide a comprehensive chemical profile for the building block <BB_2295>. | **Token:** <BB_2295>
**SMILES:** Cc1cccc([N+](=O)[O-])c1N=[N+]=[N-]
**Molecular Formula:** C7H6N4O2
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 6.
**Functional Groups:** Tertiary Amine, Nitro | |
Provide the SMILES representation for the building block token <BB_2296>. | Cn1cc(C=O)c(C(=O)O)n1 | |
What is the building block token for the following molecule? | Cn1cc(C=O)c(C(=O)O)n1 | <BB_2296> |
What is the molecular formula for <BB_2296>? | The molecular formula for <BB_2296> (Cn1cc(C=O)c(C(=O)O)n1) is C6H6N2O3. | |
Describe the ring structures in building block <BB_2296>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2296>. | The molecule contains the following groups: Carboxylic Acid, Aldehyde. | |
Provide a comprehensive chemical profile for the building block <BB_2296>. | **Token:** <BB_2296>
**SMILES:** Cn1cc(C=O)c(C(=O)O)n1
**Molecular Formula:** C6H6N2O3
**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_2297>. | CC1(N)CC(N)C1.Cl.Cl | |
What is the building block token for the following molecule? | CC1(N)CC(N)C1.Cl.Cl | <BB_2297> |
What is the molecular formula for <BB_2297>? | The molecular formula for <BB_2297> (CC1(N)CC(N)C1.Cl.Cl) is C5H14Cl2N2. | |
Describe the ring structures in building block <BB_2297>. | The molecule contains 1 ring(s): an aliphatic ring of size 4. | |
List the primary functional groups present in <BB_2297>. | The molecule contains the following groups: Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2297>. | **Token:** <BB_2297>
**SMILES:** CC1(N)CC(N)C1.Cl.Cl
**Molecular Formula:** C5H14Cl2N2
**Ring System:** The molecule contains 1 ring(s): an aliphatic ring of size 4.
**Functional Groups:** Amine, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2298>. | O=C(O)c1csc(C(=O)O)c1Br | |
What is the building block token for the following molecule? | O=C(O)c1csc(C(=O)O)c1Br | <BB_2298> |
What is the molecular formula for <BB_2298>? | The molecular formula for <BB_2298> (O=C(O)c1csc(C(=O)O)c1Br) is C6H3BrO4S. | |
Describe the ring structures in building block <BB_2298>. | The molecule contains 1 ring(s): an aromatic ring of size 5. | |
List the primary functional groups present in <BB_2298>. | The molecule contains the following groups: Carboxylic Acid, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2298>. | **Token:** <BB_2298>
**SMILES:** O=C(O)c1csc(C(=O)O)c1Br
**Molecular Formula:** C6H3BrO4S
**Ring System:** The molecule contains 1 ring(s): an aromatic ring of size 5.
**Functional Groups:** Carboxylic Acid, Halogen (F,Cl,Br,I) | |
Provide the SMILES representation for the building block token <BB_2299>. | CC1CNC2CCCCC2C1.Cl | |
What is the building block token for the following molecule? | CC1CNC2CCCCC2C1.Cl | <BB_2299> |
What is the molecular formula for <BB_2299>? | The molecular formula for <BB_2299> (CC1CNC2CCCCC2C1.Cl) is C10H20ClN. | |
Describe the ring structures in building block <BB_2299>. | 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_2299>. | The molecule contains the following groups: Secondary Amine, Halogen (F,Cl,Br,I). | |
Provide a comprehensive chemical profile for the building block <BB_2299>. | **Token:** <BB_2299>
**SMILES:** CC1CNC2CCCCC2C1.Cl
**Molecular Formula:** C10H20ClN
**Ring System:** The molecule contains 2 ring(s): an aliphatic ring of size 6, an aliphatic ring of size 6.
**Functional Groups:** Secondary Amine, Halogen (F,Cl,Br,I) |
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