db_id stringclasses 11
values | instruction stringlengths 1.63k 14k | role stringclasses 45
values | policy unknown | input stringlengths 23 477 | output stringlengths 23 2.22k | difficulty stringclasses 3
values | metadata dict |
|---|---|---|---|---|---|---|---|
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | For the most common bond type in the database, provide comprehensive statistics including its total occurrences, how many molecules contain it, the average number of such bonds per molecule, the number of unique element pairs it connects, and which molecule labels (carcinogenic or non-carcinogenic) contain this bond ty... | Sorry, I cannot answer. | challenging | {
"gold_sql": "WITH BondCounts AS (\n SELECT \n b.bond_type,\n COUNT(b.bond_id) AS bond_count,\n RANK() OVER (ORDER BY COUNT(b.bond_id) DESC) AS bond_rank\n FROM bond b\n GROUP BY b.bond_type\n),\nMoleculeStats AS (\n SELECT \n b.molecule_id,\n b.bond_type,\n COUN... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | For non-carcinogenic molecules containing chlorine, what are the statistics including the count of such molecules, average and maximum number of chlorine atoms, average number of bonds, count of molecules with more single bonds than double bonds, and average number of bonds involving chlorine? | Sorry, I cannot answer. | challenging | {
"gold_sql": "WITH ChlorineAtomCounts AS (\n SELECT \n m.molecule_id,\n m.label,\n COUNT(a.atom_id) AS chlorine_atoms\n FROM \n molecule m\n INNER JOIN \n atom a ON m.molecule_id = a.molecule_id\n WHERE \n a.element = 'cl'\n GROUP BY \n m.molecule_id, m... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | Calculate the average number of oxygen atoms in single-bonded molecules. | SELECT AVG(oxygen_count) FROM (SELECT T1.molecule_id, COUNT(T1.element) AS oxygen_count FROM atom AS T1 INNER JOIN bond AS T2 ON T1.molecule_id = T2.molecule_id WHERE T2.bond_type = '-' AND T1.element = 'o' GROUP BY T1.molecule_id) AS oxygen_counts | moderate | {
"gold_sql": "SELECT AVG(oxygen_count) FROM (SELECT T1.molecule_id, COUNT(T1.element) AS oxygen_count FROM atom AS T1 INNER JOIN bond AS T2 ON T1.molecule_id = T2.molecule_id WHERE T2.bond_type = '-' AND T1.element = 'o' GROUP BY T1.molecule_id) AS oxygen_counts",
"permission": "allowed",
"query_columns": {
... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | On average how many carcinogenic molecules are single bonded? | SELECT AVG(single_bond_count) FROM (SELECT T3.molecule_id, COUNT(T1.bond_type) AS single_bond_count FROM bond AS T1 INNER JOIN atom AS T2 ON T1.molecule_id = T2.molecule_id INNER JOIN molecule AS T3 ON T3.molecule_id = T2.molecule_id WHERE T1.bond_type = '-' AND T3.label = '+' GROUP BY T3.molecule_id) AS subquery | challenging | {
"gold_sql": "SELECT AVG(single_bond_count) FROM (SELECT T3.molecule_id, COUNT(T1.bond_type) AS single_bond_count FROM bond AS T1 INNER JOIN atom AS T2 ON T1.molecule_id = T2.molecule_id INNER JOIN molecule AS T3 ON T3.molecule_id = T2.molecule_id WHERE T1.bond_type = '-' AND T3.label = '+' GROUP BY T3.molecule_id)... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | In the molecule containing sodium atoms, how many are non-carcinogenic? | SELECT COUNT(DISTINCT T2.molecule_id) FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.element = 'na' AND T2.label = '-' | simple | {
"gold_sql": "SELECT COUNT(DISTINCT T2.molecule_id) FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.element = 'na' AND T2.label = '-'",
"permission": "allowed",
"query_columns": {
"atom": [
"element",
"molecule_id"
],
"molecule": [
"label",
... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | For carcinogenic molecules that contain triple bonds, provide detailed statistics including atom counts, bond counts, carbon and nitrogen counts, and specifically identify how many nitrogen-to-nitrogen triple bonds and carbon-containing triple bonds exist in each molecule, categorizing them by their number of triple bo... | Sorry, I cannot answer. | challenging | {
"gold_sql": "WITH MoleculeStats AS (\n SELECT \n m.molecule_id,\n m.label,\n COUNT(DISTINCT a.atom_id) AS atom_count,\n COUNT(DISTINCT b.bond_id) AS bond_count,\n SUM(CASE WHEN a.element = 'c' THEN 1 ELSE 0 END) AS carbon_count,\n SUM(CASE WHEN a.element = 'n' THEN 1 ELS... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | What is the percentage of carbon in double-bond molecules? | SELECT CAST(COUNT(DISTINCT CASE WHEN T1.element = 'c' THEN T1.atom_id ELSE NULL END) AS REAL) * 100 / COUNT(DISTINCT T1.atom_id) FROM atom AS T1 INNER JOIN bond AS T2 ON T1.molecule_id = T2.molecule_id WHERE T2.bond_type = '=' | moderate | {
"gold_sql": "SELECT CAST(COUNT(DISTINCT CASE WHEN T1.element = 'c' THEN T1.atom_id ELSE NULL END) AS REAL) * 100 / COUNT(DISTINCT T1.atom_id) FROM atom AS T1 INNER JOIN bond AS T2 ON T1.molecule_id = T2.molecule_id WHERE T2.bond_type = '='",
"permission": "allowed",
"query_columns": {
"bond": [
"bond_... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | How many triple type bonds are there? | SELECT COUNT(T.bond_id) FROM bond AS T WHERE T.bond_type = '#' | simple | {
"gold_sql": "SELECT COUNT(T.bond_id) FROM bond AS T WHERE T.bond_type = '#'",
"permission": "allowed",
"query_columns": {
"bond": [
"bond_id",
"bond_type"
]
},
"missing_columns": {},
"reason": "All required columns are permitted",
"question_id": 202,
"evidence": "triple type bonds ... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | What is the average number of connections per non-bromine atom across molecules that have bonds or multiple atoms, and how many of these non-bromine atoms have more than 2 connections? | Sorry, I cannot answer. | challenging | {
"gold_sql": "WITH BromineCount AS (\n SELECT \n molecule_id,\n SUM(CASE WHEN element = 'br' THEN 1 ELSE 0 END) AS bromine_atoms,\n COUNT(*) AS total_atoms\n FROM \n atom\n GROUP BY \n molecule_id\n),\nMoleculeBonds AS (\n SELECT \n m.molecule_id,\n m.labe... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | What are the average structural characteristics of carcinogenic molecules among the first 100 molecules, including the number of atoms, carbon atoms, bonds, double bonds, connected atoms, and the ratio of carbon-to-carbon connections? | Sorry, I cannot answer. | challenging | {
"gold_sql": "WITH MoleculeInfo AS (\n SELECT \n m.molecule_id,\n m.label,\n COUNT(DISTINCT a.atom_id) AS atom_count,\n COUNT(DISTINCT b.bond_id) AS bond_count,\n SUM(CASE WHEN a.element = 'c' THEN 1 ELSE 0 END) AS carbon_count,\n SUM(CASE WHEN a.element = 'h' THEN 1 ELSE... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | For all molecules containing carbon, provide comprehensive statistics including the number of atoms, bonds, carbon atoms, chlorine atoms, and double bonds. Rank these molecules by their carbon content (highest first), and for ties, rank by total atom count. Also include the total number of atomic connections in each mo... | Sorry, I cannot answer. | challenging | {
"gold_sql": "WITH CarbonMolecules AS (\n SELECT DISTINCT a.molecule_id\n FROM atom AS a\n WHERE a.element = 'c'\n),\nMoleculeStats AS (\n SELECT \n m.molecule_id,\n m.label,\n COUNT(DISTINCT a.atom_id) AS atom_count,\n COUNT(DISTINCT b.bond_id) AS bond_count,\n SUM(CAS... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | What elements are in the TR004_8_9 bond atoms? | Sorry, I cannot answer. | challenging | {
"gold_sql": "SELECT DISTINCT T1.element FROM atom AS T1 INNER JOIN connected AS T2 ON T1.atom_id = T2.atom_id WHERE T2.bond_id = 'TR004_8_9'",
"permission": "denied",
"query_columns": {
"connected": [
"atom_id",
"bond_id"
],
"atom": [
"atom_id",
"element"
]
},
"missin... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | For each element that participates in double bonds, what is the count of atoms, the number of molecules containing them, their percentage of all atoms in the database, and examples of up to 3 molecules (with labels) where they appear in double bonds? | Sorry, I cannot answer. | challenging | {
"gold_sql": "WITH ElementsInDoubleBonds AS (\n SELECT \n T1.element,\n T1.atom_id,\n T1.molecule_id\n FROM \n atom AS T1\n INNER JOIN \n connected AS T3 ON T1.atom_id = T3.atom_id\n INNER JOIN \n bond AS T2 ON T3.bond_id = T2.bond_id\n WHERE \n T2.bond... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | For the label with the most hydrogen atoms, what are the total number of hydrogen atoms, average hydrogen atoms per molecule, average bonds per molecule, total single bonds, and total double bonds? | WITH hydrogen_molecules AS (
SELECT
m.molecule_id,
m.label,
COUNT(a.atom_id) AS hydrogen_count
FROM
molecule m
JOIN
atom a ON m.molecule_id = a.molecule_id
WHERE
a.element = 'h'
GROUP BY
m.molecule_id, m.label
),
molecule_bond_stats AS (
... | challenging | {
"gold_sql": "WITH hydrogen_molecules AS (\n SELECT \n m.molecule_id,\n m.label,\n COUNT(a.atom_id) AS hydrogen_count\n FROM \n molecule m\n JOIN \n atom a ON m.molecule_id = a.molecule_id\n WHERE \n a.element = 'h'\n GROUP BY \n m.molecule_id, m.label\... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | What are the different types of bonds that chlorine atoms form, ranked by their frequency, and how many non-chlorine atoms are involved in each bond type? | Sorry, I cannot answer. | challenging | {
"gold_sql": "WITH ChlorineAtoms AS (\n SELECT atom_id, molecule_id\n FROM atom\n WHERE element = 'cl'\n),\nChlorineBonds AS (\n SELECT DISTINCT b.bond_id, b.molecule_id, b.bond_type\n FROM bond b\n JOIN connected c ON b.bond_id = c.bond_id\n JOIN ChlorineAtoms ca ON c.atom_id = ca.atom_id\n),\n... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | What atoms are connected in single type bonds? | Sorry, I cannot answer. | simple | {
"gold_sql": "SELECT T2.atom_id, T2.atom_id2 FROM bond AS T1 INNER JOIN connected AS T2 ON T1.bond_id = T2.bond_id WHERE T1.bond_type = '-'",
"permission": "denied",
"query_columns": {
"connected": [
"atom_id",
"atom_id2",
"bond_id"
],
"bond": [
"bond_id",
"bond_type"
... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | Indicate which atoms are connected in non-carcinogenic type molecules. | Sorry, I cannot answer. | simple | {
"gold_sql": "SELECT DISTINCT T1.atom_id FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id INNER JOIN connected AS T3 ON T1.atom_id = T3.atom_id WHERE T2.label = '-'",
"permission": "denied",
"query_columns": {
"connected": [
"atom_id"
],
"atom": [
"atom_id",
... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | Which element is the least numerous in non-carcinogenic molecules? | SELECT T.element FROM (SELECT T1.element, COUNT(DISTINCT T1.molecule_id) FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T2.label = '-' GROUP BY T1.element ORDER BY COUNT(DISTINCT T1.molecule_id) ASC LIMIT 1) t | challenging | {
"gold_sql": "SELECT T.element FROM (SELECT T1.element, COUNT(DISTINCT T1.molecule_id) FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T2.label = '-' GROUP BY T1.element ORDER BY COUNT(DISTINCT T1.molecule_id) ASC LIMIT 1) t",
"permission": "allowed",
"query_columns": {
"at... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | What type of bond is there between the atoms TR004_8 and TR004_20? | Sorry, I cannot answer. | challenging | {
"gold_sql": "SELECT DISTINCT T1.bond_type \nFROM bond AS T1 \nINNER JOIN connected AS T2 ON T1.bond_id = T2.bond_id \nWHERE (T2.atom_id = 'TR004_8' AND T2.atom_id2 = 'TR004_20') \n OR (T2.atom_id = 'TR004_20' AND T2.atom_id2 = 'TR004_8')",
"permission": "denied",
"query_columns": {
"connected": [
"a... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | What type of label is not on molecules with atoms with tin? | SELECT DISTINCT T2.label FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.element != 'sn' | simple | {
"gold_sql": "SELECT DISTINCT T2.label FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.element != 'sn'",
"permission": "allowed",
"query_columns": {
"atom": [
"element",
"molecule_id"
],
"molecule": [
"label",
"molecule_id"
]
},
"m... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | How many atoms with iodine and with sulfur type elements are there in single bond molecules? | Sorry, I cannot answer. | challenging | {
"gold_sql": "SELECT COUNT(DISTINCT CASE WHEN T1.element = 'i' THEN T1.atom_id ELSE NULL END) AS iodine_nums , COUNT(DISTINCT CASE WHEN T1.element = 's' THEN T1.atom_id ELSE NULL END) AS sulfur_nums FROM atom AS T1 INNER JOIN connected AS T2 ON T1.atom_id = T2.atom_id INNER JOIN bond AS T3 ON T2.bond_id = T3.bond_id... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | Identify all connected atoms with a triple bond. | Sorry, I cannot answer. | simple | {
"gold_sql": "SELECT T2.atom_id, T2.atom_id2 FROM bond AS T1 INNER JOIN connected AS T2 ON T1.bond_id = T2.bond_id WHERE T1.bond_type = '#'",
"permission": "denied",
"query_columns": {
"connected": [
"atom_id",
"atom_id2",
"bond_id"
],
"bond": [
"bond_id",
"bond_type"
... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | Identify all the atoms that are connected to the atoms of the TR181 molecule. | Sorry, I cannot answer. | simple | {
"gold_sql": "SELECT T2.atom_id, T2.atom_id2 FROM atom AS T1 INNER JOIN connected AS T2 ON T2.atom_id = T1.atom_id WHERE T1.molecule_id = 'TR181'",
"permission": "denied",
"query_columns": {
"connected": [
"atom_id",
"atom_id2"
],
"atom": [
"atom_id",
"molecule_id"
]
},
... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | For carcinogenic molecules, what is the percentage that don't contain fluorine, the average number of atoms per molecule, the average number of bonds in molecules with and without fluorine, and the average bond strength? | Sorry, I cannot answer. | challenging | {
"gold_sql": "WITH CarcinogenicMolecules AS (\n SELECT molecule_id\n FROM molecule\n WHERE label = '+'\n),\nMoleculesWithFluorine AS (\n SELECT DISTINCT molecule_id\n FROM atom\n WHERE element = 'f'\n),\nMoleculesWithoutFluorine AS (\n SELECT cm.molecule_id\n FROM CarcinogenicMolecules cm\n ... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | What is the percentage of carcinogenic molecules in triple type bonds? | SELECT CAST(COUNT(DISTINCT CASE WHEN T2.label = '+' THEN T2.molecule_id ELSE NULL END) AS REAL) * 100 / COUNT(DISTINCT T2.molecule_id) FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id INNER JOIN bond AS T3 ON T2.molecule_id = T3.molecule_id WHERE T3.bond_type = '#' | challenging | {
"gold_sql": "SELECT CAST(COUNT(DISTINCT CASE WHEN T2.label = '+' THEN T2.molecule_id ELSE NULL END) AS REAL) * 100 / COUNT(DISTINCT T2.molecule_id) FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id INNER JOIN bond AS T3 ON T2.molecule_id = T3.molecule_id WHERE T3.bond_type = '#'",
"perm... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | Please list the top three elements in the molecule TR000 in alphabetical order. | SELECT T.element FROM atom AS T WHERE T.molecule_id = 'TR000' ORDER BY T.element LIMIT 3 | challenging | {
"gold_sql": "SELECT T.element FROM atom AS T WHERE T.molecule_id = 'TR000' ORDER BY T.element LIMIT 3",
"permission": "allowed",
"query_columns": {
"atom": [
"element",
"molecule_id"
]
},
"missing_columns": {},
"reason": "All required columns are permitted",
"question_id": 220,
"ev... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | What are the atoms that are bonded in the molecule TR001 with the bond ID of TR001_2_6? | SELECT SUBSTR(T.bond_id, 1, 7) AS atom_id1 , T.molecule_id || SUBSTR(T.bond_id, 8, 2) AS atom_id2 FROM bond AS T WHERE T.molecule_id = 'TR001' AND T.bond_id = 'TR001_2_6' | simple | {
"gold_sql": "SELECT SUBSTR(T.bond_id, 1, 7) AS atom_id1 , T.molecule_id || SUBSTR(T.bond_id, 8, 2) AS atom_id2 FROM bond AS T WHERE T.molecule_id = 'TR001' AND T.bond_id = 'TR001_2_6'",
"permission": "allowed",
"query_columns": {
"bond": [
"bond_id",
"molecule_id"
]
},
"missing_columns":... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | What is the difference between the number of molecules that are carcinogenic and those that are not? | SELECT COUNT(CASE WHEN T.label = '+' THEN T.molecule_id ELSE NULL END) - COUNT(CASE WHEN T.label = '-' THEN T.molecule_id ELSE NULL END) AS diff_car_notcar FROM molecule t | moderate | {
"gold_sql": "SELECT COUNT(CASE WHEN T.label = '+' THEN T.molecule_id ELSE NULL END) - COUNT(CASE WHEN T.label = '-' THEN T.molecule_id ELSE NULL END) AS diff_car_notcar FROM molecule t",
"permission": "allowed",
"query_columns": {
"molecule": []
},
"missing_columns": {},
"reason": "All required column... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | What are the atom IDs of the bond TR000_2_5? | Sorry, I cannot answer. | simple | {
"gold_sql": "SELECT T.atom_id FROM connected AS T WHERE T.bond_id = 'TR000_2_5'",
"permission": "denied",
"query_columns": {
"connected": [
"atom_id",
"bond_id"
]
},
"missing_columns": {
"connected": [
"atom_id",
"bond_id"
]
},
"reason": "Missing column permission... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | For all bonds connected to atom TR000_2, what are the bond details including the connected atoms, their elements, bond types, bond classifications, and the molecule's atom and bond counts? | Sorry, I cannot answer. | challenging | {
"gold_sql": "WITH MoleculeInfo AS (\n SELECT \n m.molecule_id,\n m.label,\n COUNT(DISTINCT a.atom_id) AS atom_count,\n COUNT(DISTINCT b.bond_id) AS bond_count\n FROM \n molecule m\n LEFT JOIN \n atom a ON m.molecule_id = a.molecule_id\n LEFT JOIN \n bond ... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | Please list top five molecules that have double bonds in alphabetical order. | SELECT DISTINCT T.molecule_id FROM bond AS T WHERE T.bond_type = '=' ORDER BY T.molecule_id LIMIT 5 | simple | {
"gold_sql": "SELECT DISTINCT T.molecule_id FROM bond AS T WHERE T.bond_type = '=' ORDER BY T.molecule_id LIMIT 5",
"permission": "allowed",
"query_columns": {
"bond": [
"bond_type",
"molecule_id"
]
},
"missing_columns": {},
"reason": "All required columns are permitted",
"question_id... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | What is the percentage of double bonds in the molecule TR008? Please provide your answer as a percentage with five decimal places. | SELECT ROUND(CAST(COUNT(CASE WHEN T.bond_type = '=' THEN T.bond_id ELSE NULL END) AS REAL) * 100 / COUNT(T.bond_id),5) FROM bond AS T WHERE T.molecule_id = 'TR008' | moderate | {
"gold_sql": "SELECT ROUND(CAST(COUNT(CASE WHEN T.bond_type = '=' THEN T.bond_id ELSE NULL END) AS REAL) * 100 / COUNT(T.bond_id),5) FROM bond AS T WHERE T.molecule_id = 'TR008'",
"permission": "allowed",
"query_columns": {
"bond": [
"bond_id",
"bond_type",
"molecule_id"
]
},
"missi... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | What is the percentage of molecules that are carcinogenic? Please provide your answer as a percentage with three decimal places. | SELECT ROUND(CAST(COUNT(CASE WHEN T.label = '+' THEN T.molecule_id ELSE NULL END) AS REAL) * 100 / COUNT(T.molecule_id),3) FROM molecule t | simple | {
"gold_sql": "SELECT ROUND(CAST(COUNT(CASE WHEN T.label = '+' THEN T.molecule_id ELSE NULL END) AS REAL) * 100 / COUNT(T.molecule_id),3) FROM molecule t",
"permission": "allowed",
"query_columns": {
"molecule": []
},
"missing_columns": {},
"reason": "All required columns are permitted",
"question_id"... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | How much of the hydrogen in molecule TR206 is accounted for? Please provide your answer as a percentage with four decimal places. | SELECT ROUND(CAST(COUNT(CASE WHEN T.element = 'h' THEN T.atom_id ELSE NULL END) AS REAL) * 100 / COUNT(T.atom_id),4) FROM atom AS T WHERE T.molecule_id = 'TR206' | moderate | {
"gold_sql": "SELECT ROUND(CAST(COUNT(CASE WHEN T.element = 'h' THEN T.atom_id ELSE NULL END) AS REAL) * 100 / COUNT(T.atom_id),4) FROM atom AS T WHERE T.molecule_id = 'TR206'",
"permission": "allowed",
"query_columns": {
"atom": [
"atom_id",
"element",
"molecule_id"
]
},
"missing_c... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | For molecule TR000, what are the bond types ranked by frequency, how many times does each bond type occur, and how many unique element pairs are connected by each bond type? Also indicate whether each bond type appears multiple times or just once, and show the molecule's label. | Sorry, I cannot answer. | challenging | {
"gold_sql": "WITH bond_counts AS (\n SELECT \n b.molecule_id,\n b.bond_type,\n COUNT(*) AS bond_count,\n ROW_NUMBER() OVER (PARTITION BY b.molecule_id ORDER BY COUNT(*) DESC) AS rank\n FROM bond b\n WHERE b.molecule_id = 'TR000'\n GROUP BY b.molecule_id, b.bond_type\n),\nconn... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | What are the elements of molecule TR060 and its label? | SELECT DISTINCT T1.element, T2.label FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T2.molecule_id = 'TR060' | challenging | {
"gold_sql": "SELECT DISTINCT T1.element, T2.label FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T2.molecule_id = 'TR060'",
"permission": "allowed",
"query_columns": {
"atom": [
"element",
"molecule_id"
],
"molecule": [
"label",
"molecule_i... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | Which bond type accounted for the majority of the bonds found in molecule TR010 and state whether or not this molecule is carcinogenic? | SELECT T.bond_type, T2.label FROM (SELECT T1.bond_type, COUNT(T1.molecule_id) FROM bond AS T1 WHERE T1.molecule_id = 'TR010' GROUP BY T1.bond_type ORDER BY COUNT(T1.molecule_id) DESC LIMIT 1
) AS T CROSS JOIN molecule AS T2 WHERE T2.molecule_id = 'TR010' | challenging | {
"gold_sql": "SELECT T.bond_type, T2.label FROM (SELECT T1.bond_type, COUNT(T1.molecule_id) FROM bond AS T1 WHERE T1.molecule_id = 'TR010' GROUP BY T1.bond_type ORDER BY COUNT(T1.molecule_id) DESC LIMIT 1\n) AS T CROSS JOIN molecule AS T2 WHERE T2.molecule_id = 'TR010'",
"permission": "allowed",
"query_columns":... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | Please list top three molecules that have single bonds between two atoms and are not carcinogenic in alphabetical order. | SELECT DISTINCT T2.molecule_id FROM bond AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.bond_type = '-' AND T2.label = '-' ORDER BY T2.molecule_id LIMIT 3 | moderate | {
"gold_sql": "SELECT DISTINCT T2.molecule_id FROM bond AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.bond_type = '-' AND T2.label = '-' ORDER BY T2.molecule_id LIMIT 3",
"permission": "allowed",
"query_columns": {
"bond": [
"bond_type",
"molecule_id"
],
"mole... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | Please list top two bonds that happened with the molecule TR006 in alphabetical order. | Sorry, I cannot answer. | simple | {
"gold_sql": "SELECT DISTINCT T2.bond_id FROM atom AS T1 INNER JOIN connected AS T2 ON T1.atom_id = T2.atom_id WHERE T1.molecule_id = 'TR006' ORDER BY T2.bond_id LIMIT 2",
"permission": "denied",
"query_columns": {
"connected": [
"atom_id",
"bond_id"
],
"atom": [
"atom_id",
"m... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | How many bonds which involved atom 12 does molecule TR009 have? | Sorry, I cannot answer. | moderate | {
"gold_sql": "SELECT COUNT(T2.bond_id) FROM bond AS T1 INNER JOIN connected AS T2 ON T1.bond_id = T2.bond_id WHERE T1.molecule_id = 'TR009' AND T2.atom_id = T1.molecule_id || '_1' AND T2.atom_id2 = T1.molecule_id || '_2'",
"permission": "denied",
"query_columns": {
"connected": [
"atom_id",
"atom... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | How many molecules are carcinogenic and have the bromine element? | SELECT COUNT(DISTINCT T2.molecule_id) FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T2.label = '+' AND T1.element = 'br' | simple | {
"gold_sql": "SELECT COUNT(DISTINCT T2.molecule_id) FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T2.label = '+' AND T1.element = 'br'",
"permission": "allowed",
"query_columns": {
"atom": [
"element",
"molecule_id"
],
"molecule": [
"label",
... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | What are the bond type and the atoms of the bond ID of TR001_6_9? | Sorry, I cannot answer. | moderate | {
"gold_sql": "SELECT T1.bond_type, T2.atom_id, T2.atom_id2 FROM bond AS T1 INNER JOIN connected AS T2 ON T1.bond_id = T2.bond_id WHERE T2.bond_id = 'TR001_6_9'",
"permission": "denied",
"query_columns": {
"connected": [
"atom_id",
"atom_id2",
"bond_id"
],
"bond": [
"bond_id",
... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | Which molecule does the atom TR001_10 belong to? Please state whether this molecule is carcinogenic or not. | SELECT T2.molecule_id , IIF(T2.label = '+', 'YES', 'NO') AS flag_carcinogenic FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.atom_id = 'TR001_10' | moderate | {
"gold_sql": "SELECT T2.molecule_id , IIF(T2.label = '+', 'YES', 'NO') AS flag_carcinogenic FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.atom_id = 'TR001_10'",
"permission": "allowed",
"query_columns": {
"atom": [
"atom_id",
"molecule_id"
],
"molec... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | How many molecules have a triple bond type? | SELECT COUNT(DISTINCT T.molecule_id) FROM bond AS T WHERE T.bond_type = '#' | simple | {
"gold_sql": "SELECT COUNT(DISTINCT T.molecule_id) FROM bond AS T WHERE T.bond_type = '#'",
"permission": "allowed",
"query_columns": {
"bond": [
"bond_type",
"molecule_id"
]
},
"missing_columns": {},
"reason": "All required columns are permitted",
"question_id": 238,
"evidence": "t... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | How many connections does the atom 19 have? | Sorry, I cannot answer. | simple | {
"gold_sql": "SELECT COUNT(T.bond_id) FROM connected AS T WHERE T.atom_id LIKE '%_19'",
"permission": "denied",
"query_columns": {
"connected": [
"atom_id",
"bond_id"
]
},
"missing_columns": {
"connected": [
"atom_id",
"bond_id"
]
},
"reason": "Missing column permi... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | List all the elements of the toxicology of the molecule "TR004". | SELECT DISTINCT T.element FROM atom AS T WHERE T.molecule_id = 'TR004' | challenging | {
"gold_sql": "SELECT DISTINCT T.element FROM atom AS T WHERE T.molecule_id = 'TR004'",
"permission": "allowed",
"query_columns": {
"atom": [
"element",
"molecule_id"
]
},
"missing_columns": {},
"reason": "All required columns are permitted",
"question_id": 240,
"evidence": "TR004 is... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | How many of the molecules are not carcinogenic? | SELECT COUNT(T.molecule_id) FROM molecule AS T WHERE T.label = '-' | simple | {
"gold_sql": "SELECT COUNT(T.molecule_id) FROM molecule AS T WHERE T.label = '-'",
"permission": "allowed",
"query_columns": {
"molecule": [
"label",
"molecule_id"
]
},
"missing_columns": {},
"reason": "All required columns are permitted",
"question_id": 241,
"evidence": "label = '-... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | Among all the atoms from 21 to 25, list all the molecules that are carcinogenic. | SELECT DISTINCT T2.molecule_id FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE SUBSTR(T1.atom_id, -2) BETWEEN '21' AND '25' AND T2.label = '+' | moderate | {
"gold_sql": "SELECT DISTINCT T2.molecule_id FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE SUBSTR(T1.atom_id, -2) BETWEEN '21' AND '25' AND T2.label = '+'",
"permission": "allowed",
"query_columns": {
"atom": [
"atom_id",
"molecule_id"
],
"molecule": [... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | What are the bonds that have phosphorus and nitrogen as their atom elements? | Sorry, I cannot answer. | moderate | {
"gold_sql": "SELECT T2.bond_id FROM atom AS T1 INNER JOIN connected AS T2 ON T1.atom_id = T2.atom_id WHERE T2.bond_id IN ( SELECT T3.bond_id FROM connected AS T3 INNER JOIN atom AS T4 ON T3.atom_id = T4.atom_id WHERE T4.element = 'p' ) AND T1.element = 'n'",
"permission": "denied",
"query_columns": {
"conne... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | Is the molecule with the most double bonds carcinogenic? | SELECT T1.label FROM molecule AS T1 INNER JOIN ( SELECT T.molecule_id, COUNT(T.bond_type) FROM bond AS T WHERE T.bond_type = '=' GROUP BY T.molecule_id ORDER BY COUNT(T.bond_type) DESC LIMIT 1 ) AS T2 ON T1.molecule_id = T2.molecule_id | moderate | {
"gold_sql": "SELECT T1.label FROM molecule AS T1 INNER JOIN ( SELECT T.molecule_id, COUNT(T.bond_type) FROM bond AS T WHERE T.bond_type = '=' GROUP BY T.molecule_id ORDER BY COUNT(T.bond_type) DESC LIMIT 1 ) AS T2 ON T1.molecule_id = T2.molecule_id",
"permission": "allowed",
"query_columns": {
"bond": [
... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | What is the average number of bonds the atoms with the element iodine have? | Sorry, I cannot answer. | moderate | {
"gold_sql": "SELECT CAST(COUNT(DISTINCT T2.bond_id) AS REAL) / COUNT(T1.atom_id) FROM atom AS T1 INNER JOIN connected AS T2 ON T1.atom_id = T2.atom_id WHERE T1.element = 'i'",
"permission": "denied",
"query_columns": {
"connected": [
"atom_id",
"bond_id"
],
"atom": [
"atom_id",
... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | List the bond type and the bond ID of the atom 45. | Sorry, I cannot answer. | moderate | {
"gold_sql": "SELECT T1.bond_type, T1.bond_id FROM bond AS T1 INNER JOIN connected AS T2 ON T1.bond_id = T2.bond_id WHERE SUBSTR(T2.atom_id, 7, 2) = '45'",
"permission": "denied",
"query_columns": {
"connected": [
"atom_id",
"bond_id"
],
"bond": [
"bond_id",
"bond_type"
]
... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | List all the elements of atoms that can not bond with any other atoms. | Sorry, I cannot answer. | challenging | {
"gold_sql": "SELECT DISTINCT T.element FROM atom AS T WHERE T.element NOT IN ( SELECT DISTINCT T1.element FROM atom AS T1 INNER JOIN connected AS T2 ON T1.atom_id = T2.atom_id )",
"permission": "denied",
"query_columns": {
"connected": [
"atom_id"
],
"atom": [
"atom_id",
"element"
... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | What are the atoms of the triple bond with the molecule "TR041"? | Sorry, I cannot answer. | simple | {
"gold_sql": "SELECT T1.atom_id, T1.atom_id2 FROM connected AS T1 INNER JOIN bond AS T2 ON T1.bond_id = T2.bond_id WHERE T2.bond_type = '#' AND T2.molecule_id = 'TR041'",
"permission": "denied",
"query_columns": {
"connected": [
"atom_id",
"atom_id2",
"bond_id"
],
"bond": [
"b... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | What are the elements of the atoms of TR144_8_19? | Sorry, I cannot answer. | challenging | {
"gold_sql": "SELECT DISTINCT T2.element \nFROM connected AS T1 \nINNER JOIN atom AS T2 ON T2.atom_id IN (T1.atom_id, T1.atom_id2)\nWHERE T1.bond_id = 'TR144_8_19'",
"permission": "denied",
"query_columns": {
"connected": [
"atom_id",
"bond_id"
],
"atom": [
"atom_id",
"element... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | Of all the carcinogenic molecules, which one has the most double bonds? | SELECT T.molecule_id FROM ( SELECT T3.molecule_id, COUNT(T1.bond_type) FROM bond AS T1 INNER JOIN molecule AS T3 ON T1.molecule_id = T3.molecule_id WHERE T3.label = '+' AND T1.bond_type = '=' GROUP BY T3.molecule_id ORDER BY COUNT(T1.bond_type) DESC, T3.molecule_id DESC LIMIT 1 ) AS T | moderate | {
"gold_sql": "SELECT T.molecule_id FROM ( SELECT T3.molecule_id, COUNT(T1.bond_type) FROM bond AS T1 INNER JOIN molecule AS T3 ON T1.molecule_id = T3.molecule_id WHERE T3.label = '+' AND T1.bond_type = '=' GROUP BY T3.molecule_id ORDER BY COUNT(T1.bond_type) DESC, T3.molecule_id DESC LIMIT 1 ) AS T",
"permission":... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | What is the least common element of all carcinogenic molecules? | SELECT T2.element
FROM molecule AS T1
INNER JOIN atom AS T2 ON T1.molecule_id = T2.molecule_id
WHERE T1.label = '+'
GROUP BY T2.element
HAVING COUNT(DISTINCT T2.molecule_id) = (
SELECT COUNT(DISTINCT T2_inner.molecule_id)
FROM molecule AS T1_inner
INNER JOIN atom AS T2_inner ON T1_inner.molecule_id = T... | moderate | {
"gold_sql": "SELECT T2.element\nFROM molecule AS T1 \nINNER JOIN atom AS T2 ON T1.molecule_id = T2.molecule_id \nWHERE T1.label = '+' \nGROUP BY T2.element \nHAVING COUNT(DISTINCT T2.molecule_id) = (\n SELECT COUNT(DISTINCT T2_inner.molecule_id)\n FROM molecule AS T1_inner \n INNER JOIN atom AS T2_inner ON... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | What are the atoms that can bond with the atom that has the element lead? | Sorry, I cannot answer. | simple | {
"gold_sql": "SELECT T2.atom_id, T2.atom_id2 FROM atom AS T1 INNER JOIN connected AS T2 ON T1.atom_id = T2.atom_id WHERE T1.element = 'pb'",
"permission": "denied",
"query_columns": {
"connected": [
"atom_id",
"atom_id2"
],
"atom": [
"atom_id",
"element"
]
},
"missing_... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | List the elements of all the triple bonds. | Sorry, I cannot answer. | challenging | {
"gold_sql": "SELECT DISTINCT T3.element FROM bond AS T1 INNER JOIN connected AS T2 ON T1.bond_id = T2.bond_id INNER JOIN atom AS T3 ON T2.atom_id = T3.atom_id WHERE T1.bond_type = '#' UNION SELECT DISTINCT T3.element FROM bond AS T1 INNER JOIN connected AS T2 ON T1.bond_id = T2.bond_id INNER JOIN atom AS T3 ON T2.a... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | What percentage of bonds have the most common combination of atoms' elements? | Sorry, I cannot answer. | moderate | {
"gold_sql": "SELECT CAST((SELECT COUNT(T1.atom_id) FROM connected AS T1 INNER JOIN bond AS T2 ON T1.bond_id = T2.bond_id GROUP BY T2.bond_type ORDER BY COUNT(T2.bond_id) DESC LIMIT 1 ) AS REAL) * 100 / ( SELECT COUNT(atom_id) FROM connected )",
"permission": "denied",
"query_columns": {
"connected": [
... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | What proportion of single bonds are carcinogenic? Please provide your answer as a percentage with five decimal places. | SELECT ROUND(CAST(COUNT(CASE WHEN T2.label = '+' THEN T1.bond_id ELSE NULL END) AS REAL) * 100 / COUNT(T1.bond_id),5) FROM bond AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.bond_type = '-' | moderate | {
"gold_sql": "SELECT ROUND(CAST(COUNT(CASE WHEN T2.label = '+' THEN T1.bond_id ELSE NULL END) AS REAL) * 100 / COUNT(T1.bond_id),5) FROM bond AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.bond_type = '-'",
"permission": "allowed",
"query_columns": {
"bond": [
"bond_id",
... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | Calculate the total atoms consisting of the element carbon and hydrogen. | SELECT COUNT(T.atom_id) FROM atom AS T WHERE T.element = 'c' OR T.element = 'h' | simple | {
"gold_sql": "SELECT COUNT(T.atom_id) FROM atom AS T WHERE T.element = 'c' OR T.element = 'h'",
"permission": "allowed",
"query_columns": {
"atom": [
"atom_id",
"element"
]
},
"missing_columns": {},
"reason": "All required columns are permitted",
"question_id": 256,
"evidence": "con... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | List down atom id2 for atoms with element sulfur. | Sorry, I cannot answer. | simple | {
"gold_sql": "SELECT DISTINCT T2.atom_id2 FROM atom AS T1 INNER JOIN connected AS T2 ON T1.atom_id = T2.atom_id WHERE T1.element = 's'",
"permission": "denied",
"query_columns": {
"connected": [
"atom_id",
"atom_id2"
],
"atom": [
"atom_id",
"element"
]
},
"missing_colu... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | What are the bond type for atoms with element Tin? | Sorry, I cannot answer. | moderate | {
"gold_sql": "SELECT DISTINCT T3.bond_type FROM atom AS T1 INNER JOIN connected AS T2 ON T1.atom_id = T2.atom_id INNER JOIN bond AS T3 ON T3.bond_id = T2.bond_id WHERE T1.element = 'sn'",
"permission": "denied",
"query_columns": {
"connected": [
"atom_id",
"bond_id"
],
"bond": [
"bo... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | How many elements are there for single bond molecules? | SELECT COUNT(DISTINCT T.element) FROM ( SELECT DISTINCT T2.molecule_id, T1.element FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id INNER JOIN bond AS T3 ON T2.molecule_id = T3.molecule_id WHERE T3.bond_type = '-' ) AS T | simple | {
"gold_sql": "SELECT COUNT(DISTINCT T.element) FROM ( SELECT DISTINCT T2.molecule_id, T1.element FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id INNER JOIN bond AS T3 ON T2.molecule_id = T3.molecule_id WHERE T3.bond_type = '-' ) AS T",
"permission": "allowed",
"query_columns": {
... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | Calculate the total atoms with triple-bond molecules containing the element phosphorus or bromine. | SELECT COUNT(T1.atom_id) FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id INNER JOIN bond AS T3 ON T2.molecule_id = T3.molecule_id WHERE T3.bond_type = '#' AND T1.element IN ('p', 'br') | moderate | {
"gold_sql": "SELECT COUNT(T1.atom_id) FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id INNER JOIN bond AS T3 ON T2.molecule_id = T3.molecule_id WHERE T3.bond_type = '#' AND T1.element IN ('p', 'br')",
"permission": "allowed",
"query_columns": {
"bond": [
"bond_type",
... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | Write down bond id for molecules that are carcinogenic. | SELECT DISTINCT T1.bond_id FROM bond AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T2.label = '+' | simple | {
"gold_sql": "SELECT DISTINCT T1.bond_id FROM bond AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T2.label = '+'",
"permission": "allowed",
"query_columns": {
"bond": [
"bond_id",
"molecule_id"
],
"molecule": [
"label",
"molecule_id"
]
},
"mis... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | Among the single bond molecule id, which molecules are not carcinogenic? | SELECT DISTINCT T1.molecule_id FROM bond AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T2.label = '-' AND T1.bond_type = '-' | simple | {
"gold_sql": "SELECT DISTINCT T1.molecule_id FROM bond AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T2.label = '-' AND T1.bond_type = '-'",
"permission": "allowed",
"query_columns": {
"bond": [
"bond_type",
"molecule_id"
],
"molecule": [
"label",
"m... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | What is the composition of element chlorine in percentage among the single bond molecules? | SELECT CAST(COUNT(CASE WHEN T.element = 'cl' THEN T.atom_id ELSE NULL END) AS REAL) * 100 / COUNT(T.atom_id) FROM ( SELECT T1.atom_id, T1.element FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id INNER JOIN bond AS T3 ON T2.molecule_id = T3.molecule_id WHERE T3.bond_type = '-' ) AS T | challenging | {
"gold_sql": "SELECT CAST(COUNT(CASE WHEN T.element = 'cl' THEN T.atom_id ELSE NULL END) AS REAL) * 100 / COUNT(T.atom_id) FROM ( SELECT T1.atom_id, T1.element FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id INNER JOIN bond AS T3 ON T2.molecule_id = T3.molecule_id WHERE T3.bond_type = '-... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | What are the labels for TR000, TR001 and TR002? | SELECT molecule_id, T.label FROM molecule AS T WHERE T.molecule_id IN ('TR000', 'TR001', 'TR002') | simple | {
"gold_sql": "SELECT molecule_id, T.label FROM molecule AS T WHERE T.molecule_id IN ('TR000', 'TR001', 'TR002')",
"permission": "allowed",
"query_columns": {
"molecule": [
"label",
"molecule_id"
]
},
"missing_columns": {},
"reason": "All required columns are permitted",
"question_id":... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | List down the molecule id for non carcinogenic molecules. | SELECT T.molecule_id FROM molecule AS T WHERE T.label = '-' | simple | {
"gold_sql": "SELECT T.molecule_id FROM molecule AS T WHERE T.label = '-'",
"permission": "allowed",
"query_columns": {
"molecule": [
"label",
"molecule_id"
]
},
"missing_columns": {},
"reason": "All required columns are permitted",
"question_id": 265,
"evidence": "label = '-' means... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | Calculate the total carcinogenic molecules for molecule id from TR000 to TR030. | SELECT COUNT(T.molecule_id) FROM molecule AS T WHERE T.molecule_id BETWEEN 'TR000' AND 'TR030' AND T.label = '+' | simple | {
"gold_sql": "SELECT COUNT(T.molecule_id) FROM molecule AS T WHERE T.molecule_id BETWEEN 'TR000' AND 'TR030' AND T.label = '+'",
"permission": "allowed",
"query_columns": {
"molecule": [
"label",
"molecule_id"
]
},
"missing_columns": {},
"reason": "All required columns are permitted",
... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | List down the bond type for molecules from molecule id TR000 to TR050. | SELECT T2.molecule_id, T2.bond_type FROM molecule AS T1 INNER JOIN bond AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.molecule_id BETWEEN 'TR000' AND 'TR050' | moderate | {
"gold_sql": "SELECT T2.molecule_id, T2.bond_type FROM molecule AS T1 INNER JOIN bond AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.molecule_id BETWEEN 'TR000' AND 'TR050'",
"permission": "allowed",
"query_columns": {
"bond": [
"bond_type",
"molecule_id"
],
"molecule": [
"molecu... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | What are the elements for bond id TR001_10_11? | Sorry, I cannot answer. | challenging | {
"gold_sql": "SELECT T2.element FROM connected AS T1 INNER JOIN atom AS T2 ON T1.atom_id = T2.atom_id WHERE T1.bond_id = 'TR001_10_11'",
"permission": "denied",
"query_columns": {
"connected": [
"atom_id",
"bond_id"
],
"atom": [
"atom_id",
"element"
]
},
"missing_colum... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | How many bond id have element iodine? | SELECT COUNT(T3.bond_id) FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id INNER JOIN bond AS T3 ON T2.molecule_id = T3.molecule_id WHERE T1.element = 'i' | simple | {
"gold_sql": "SELECT COUNT(T3.bond_id) FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id INNER JOIN bond AS T3 ON T2.molecule_id = T3.molecule_id WHERE T1.element = 'i'",
"permission": "allowed",
"query_columns": {
"bond": [
"bond_id",
"molecule_id"
],
"atom": [... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | Among the molecules with element Calcium, are they mostly carcinogenic or non carcinogenic? | SELECT T2.label FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.element = 'ca' GROUP BY T2.label ORDER BY COUNT(T2.label) DESC LIMIT 1 | moderate | {
"gold_sql": "SELECT T2.label FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.element = 'ca' GROUP BY T2.label ORDER BY COUNT(T2.label) DESC LIMIT 1",
"permission": "allowed",
"query_columns": {
"atom": [
"element",
"molecule_id"
],
"molecule": [
... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | Does bond id TR001_1_8 have both element of chlorine and carbon? | Sorry, I cannot answer. | simple | {
"gold_sql": "SELECT CASE WHEN COUNT(DISTINCT T1.element) = 2 THEN 'Yes' ELSE 'No' END AS has_both_elements FROM atom AS T1 INNER JOIN connected AS T2 ON T2.atom_id = T1.atom_id WHERE T2.bond_id = 'TR001_1_8' AND T1.element IN ('cl', 'c')",
"permission": "denied",
"query_columns": {
"connected": [
"ato... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | List down two molecule id of triple bond non carcinogenic molecules with element carbon. | SELECT DISTINCT T2.molecule_id FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id INNER JOIN bond AS T3 ON T2.molecule_id = T3.molecule_id WHERE T3.bond_type = '#' AND T1.element = 'c' AND T2.label = '-' LIMIT 2 | moderate | {
"gold_sql": "SELECT DISTINCT T2.molecule_id FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id INNER JOIN bond AS T3 ON T2.molecule_id = T3.molecule_id WHERE T3.bond_type = '#' AND T1.element = 'c' AND T2.label = '-' LIMIT 2",
"permission": "allowed",
"query_columns": {
"bond": [
... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | What is the percentage of element chlorine in carcinogenic molecules? | SELECT
CAST(COUNT(DISTINCT CASE WHEN T1.element = 'cl' THEN T2.molecule_id ELSE NULL END) AS REAL) * 100 /
COUNT(DISTINCT T2.molecule_id)
FROM atom AS T1
INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id
WHERE T2.label = '+' | moderate | {
"gold_sql": "SELECT \n CAST(COUNT(DISTINCT CASE WHEN T1.element = 'cl' THEN T2.molecule_id ELSE NULL END) AS REAL) * 100 / \n COUNT(DISTINCT T2.molecule_id)\nFROM atom AS T1 \nINNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id \nWHERE T2.label = '+'",
"permission": "allowed",
"query_columns": {
... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | List the toxicology elements associated with molecule TR001. | SELECT DISTINCT T.element FROM atom AS T WHERE T.molecule_id = 'TR001' | simple | {
"gold_sql": "SELECT DISTINCT T.element FROM atom AS T WHERE T.molecule_id = 'TR001'",
"permission": "allowed",
"query_columns": {
"atom": [
"element",
"molecule_id"
]
},
"missing_columns": {},
"reason": "All required columns are permitted",
"question_id": 274,
"evidence": "TR001 is... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | Give me the molecule ID of the double bond type. | SELECT DISTINCT T.molecule_id FROM bond AS T WHERE T.bond_type = '=' | simple | {
"gold_sql": "SELECT DISTINCT T.molecule_id FROM bond AS T WHERE T.bond_type = '='",
"permission": "allowed",
"query_columns": {
"bond": [
"bond_type",
"molecule_id"
]
},
"missing_columns": {},
"reason": "All required columns are permitted",
"question_id": 275,
"evidence": "double b... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | Write down the atom IDs of the first and second atoms of triple bond type molecules. | Sorry, I cannot answer. | simple | {
"gold_sql": "SELECT T2.atom_id, T2.atom_id2 FROM bond AS T1 INNER JOIN connected AS T2 ON T1.bond_id = T2.bond_id WHERE T1.bond_type = '#'",
"permission": "denied",
"query_columns": {
"connected": [
"atom_id",
"atom_id2",
"bond_id"
],
"bond": [
"bond_id",
"bond_type"
... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | What are the toxicology elements associated with bond ID TR000_1_2? | Sorry, I cannot answer. | challenging | {
"gold_sql": "SELECT DISTINCT T1.element FROM atom AS T1 INNER JOIN connected AS T2 ON T1.atom_id = T2.atom_id OR T1.atom_id = T2.atom_id2 WHERE T2.bond_id = 'TR000_1_2'",
"permission": "denied",
"query_columns": {
"connected": [
"atom_id",
"atom_id2",
"bond_id"
],
"atom": [
"... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | How many of the single bond type molecules are non-carcinogenic? | SELECT COUNT(DISTINCT T2.molecule_id) FROM bond AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T2.label = '-' AND T1.bond_type = '-' | simple | {
"gold_sql": "SELECT COUNT(DISTINCT T2.molecule_id) FROM bond AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T2.label = '-' AND T1.bond_type = '-'",
"permission": "allowed",
"query_columns": {
"bond": [
"bond_type",
"molecule_id"
],
"molecule": [
"label",
... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | What is the label for bond ID TR001_10_11? | SELECT T2.label FROM bond AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.bond_id = 'TR001_10_11' | simple | {
"gold_sql": "SELECT T2.label FROM bond AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.bond_id = 'TR001_10_11'",
"permission": "allowed",
"query_columns": {
"bond": [
"bond_id",
"molecule_id"
],
"molecule": [
"label",
"molecule_id"
]
},
"mi... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | Enumerate the bond ID of triple bond type molecules and tell me if they are carcinogenic or not. | SELECT T1.bond_id, T2.label FROM bond AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.bond_type = '#' | moderate | {
"gold_sql": "SELECT T1.bond_id, T2.label FROM bond AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.bond_type = '#'",
"permission": "allowed",
"query_columns": {
"bond": [
"bond_id",
"bond_type",
"molecule_id"
],
"molecule": [
"label",
"molecu... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | Tally the toxicology element of the 4th atom of each molecule that was carcinogenic. | SELECT DISTINCT T1.element
FROM atom AS T1
INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id
WHERE T2.label = '+'
AND SUBSTR(T1.atom_id, 7, 1) = '4' | challenging | {
"gold_sql": "SELECT DISTINCT T1.element \nFROM atom AS T1 \nINNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id \nWHERE T2.label = '+' \nAND SUBSTR(T1.atom_id, 7, 1) = '4'",
"permission": "allowed",
"query_columns": {
"atom": [
"atom_id",
"element",
"molecule_id"
],
"molec... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | What is the ratio of Hydrogen elements in molecule ID TR006? List the ratio with its label. | SELECT
CAST(COUNT(CASE WHEN element = 'h' THEN 1 ELSE NULL END) AS REAL) / COUNT(*) AS ratio,
label
FROM atom
INNER JOIN molecule ON atom.molecule_id = molecule.molecule_id
WHERE atom.molecule_id = 'TR006'
GROUP BY label | challenging | {
"gold_sql": "SELECT \n CAST(COUNT(CASE WHEN element = 'h' THEN 1 ELSE NULL END) AS REAL) / COUNT(*) AS ratio,\n label\nFROM atom\nINNER JOIN molecule ON atom.molecule_id = molecule.molecule_id\nWHERE atom.molecule_id = 'TR006'\nGROUP BY label",
"permission": "allowed",
"query_columns": {
"atom": [
... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | Identify whether the chemical compound that contains Calcium is carcinogenic. | SELECT T2.label AS flag_carcinogenic FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.element = 'ca' | moderate | {
"gold_sql": "SELECT T2.label AS flag_carcinogenic FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.element = 'ca'",
"permission": "allowed",
"query_columns": {
"atom": [
"element",
"molecule_id"
],
"molecule": [
"label",
"molecule_id"
... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | Determine the bond type that is formed in the chemical compound containing element Carbon. | SELECT DISTINCT T2.bond_type FROM atom AS T1 INNER JOIN bond AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.element = 'c' | moderate | {
"gold_sql": "SELECT DISTINCT T2.bond_type FROM atom AS T1 INNER JOIN bond AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.element = 'c'",
"permission": "allowed",
"query_columns": {
"bond": [
"bond_type",
"molecule_id"
],
"atom": [
"element",
"molecule_id"
]
},
"mis... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | Name chemical elements that form a bond TR001_10_11. | Sorry, I cannot answer. | challenging | {
"gold_sql": "SELECT T1.element FROM atom AS T1 INNER JOIN connected AS T2 ON T1.atom_id = T2.atom_id INNER JOIN bond AS T3 ON T2.bond_id = T3.bond_id WHERE T3.bond_id = 'TR001_10_11'",
"permission": "denied",
"query_columns": {
"connected": [
"atom_id",
"bond_id"
],
"bond": [
"bond... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | Among all chemical compounds identified in the database, what percent of compounds form a triple-bond. | SELECT CAST(COUNT(DISTINCT CASE WHEN bond_type = '#' THEN molecule_id ELSE NULL END) AS REAL) * 100 / COUNT(DISTINCT molecule_id) FROM bond | simple | {
"gold_sql": "SELECT CAST(COUNT(DISTINCT CASE WHEN bond_type = '#' THEN molecule_id ELSE NULL END) AS REAL) * 100 / COUNT(DISTINCT molecule_id) FROM bond",
"permission": "allowed",
"query_columns": {
"bond": [
"bond_type",
"molecule_id"
]
},
"missing_columns": {},
"reason": "All require... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | Among all chemical compounds that contain molecule TR047, identify the percent that form a double-bond. | SELECT CAST(COUNT(CASE WHEN T.bond_type = '=' THEN T.bond_id ELSE NULL END) AS REAL) * 100 / COUNT(T.bond_id) FROM bond AS T WHERE T.molecule_id = 'TR047' | moderate | {
"gold_sql": "SELECT CAST(COUNT(CASE WHEN T.bond_type = '=' THEN T.bond_id ELSE NULL END) AS REAL) * 100 / COUNT(T.bond_id) FROM bond AS T WHERE T.molecule_id = 'TR047'",
"permission": "allowed",
"query_columns": {
"bond": [
"bond_id",
"bond_type",
"molecule_id"
]
},
"missing_column... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | Identify whether the molecule that contains atom TR001_1 is carcinogenic. | SELECT T2.label AS flag_carcinogenic FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.atom_id = 'TR001_1' | simple | {
"gold_sql": "SELECT T2.label AS flag_carcinogenic FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T1.atom_id = 'TR001_1'",
"permission": "allowed",
"query_columns": {
"atom": [
"atom_id",
"molecule_id"
],
"molecule": [
"label",
"molecule_id"... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | Is molecule TR151 carcinogenic? | SELECT T.label FROM molecule AS T WHERE T.molecule_id = 'TR151' | simple | {
"gold_sql": "SELECT T.label FROM molecule AS T WHERE T.molecule_id = 'TR151'",
"permission": "allowed",
"query_columns": {
"molecule": [
"label",
"molecule_id"
]
},
"missing_columns": {},
"reason": "All required columns are permitted",
"question_id": 289,
"evidence": "label = '+' m... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | Which toxic element can be found in the molecule TR151? | SELECT DISTINCT T.element FROM atom AS T WHERE T.molecule_id = 'TR151' | challenging | {
"gold_sql": "SELECT DISTINCT T.element FROM atom AS T WHERE T.molecule_id = 'TR151'",
"permission": "allowed",
"query_columns": {
"atom": [
"element",
"molecule_id"
]
},
"missing_columns": {},
"reason": "All required columns are permitted",
"question_id": 290,
"evidence": "element ... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | How many chemical compounds in the database are identified as carcinogenic. | SELECT COUNT(T.molecule_id) FROM molecule AS T WHERE T.label = '+' | simple | {
"gold_sql": "SELECT COUNT(T.molecule_id) FROM molecule AS T WHERE T.label = '+'",
"permission": "allowed",
"query_columns": {
"molecule": [
"label",
"molecule_id"
]
},
"missing_columns": {},
"reason": "All required columns are permitted",
"question_id": 291,
"evidence": "label = '+... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | Identify the atoms belong to the molecule with ID between TR010 to TR050 that contain the element carbon. | SELECT T.atom_id FROM atom AS T WHERE T.molecule_id BETWEEN 'TR010' AND 'TR050' AND T.element = 'c' | simple | {
"gold_sql": "SELECT T.atom_id FROM atom AS T WHERE T.molecule_id BETWEEN 'TR010' AND 'TR050' AND T.element = 'c'",
"permission": "allowed",
"query_columns": {
"atom": [
"atom_id",
"element",
"molecule_id"
]
},
"missing_columns": {},
"reason": "All required columns are permitted",... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | How many atoms belong to the molecule labeled with carcinogenic compounds? | SELECT COUNT(T1.atom_id) FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T2.label = '+' | simple | {
"gold_sql": "SELECT COUNT(T1.atom_id) FROM atom AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T2.label = '+'",
"permission": "allowed",
"query_columns": {
"atom": [
"atom_id",
"molecule_id"
],
"molecule": [
"label",
"molecule_id"
]
},
"missi... |
toxicology | ##Instruction:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Database: toxicology
Total Tables: 4
Total Columns: 11
Table Schemas:
Table: atom (3 columns)
-----------------------
• atom_id (text): the unique id of atoms
• molecule_id (text): identifying the molecule to which the atom belongs... | MolecularDataEntry | {
"molecule": [
"molecule_id",
"label"
],
"atom": [
"atom_id",
"molecule_id",
"element"
],
"bond": [
"bond_id",
"molecule_id",
"bond_type"
]
} | Which bond ids are double-bond with carcinogenic compound? | SELECT T1.bond_id FROM bond AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T2.label = '+' AND T1.bond_type = '=' | simple | {
"gold_sql": "SELECT T1.bond_id FROM bond AS T1 INNER JOIN molecule AS T2 ON T1.molecule_id = T2.molecule_id WHERE T2.label = '+' AND T1.bond_type = '='",
"permission": "allowed",
"query_columns": {
"bond": [
"bond_id",
"bond_type",
"molecule_id"
],
"molecule": [
"label",
... |
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