BEGIN TRANSACTION;
CREATE TABLE IF NOT EXISTS "molecules" (
	"ID"	TEXT,
	"InChIKey"	TEXT UNIQUE,
	"InChI"	TEXT,
	"SMILES"	TEXT,
	"MolStructure"	TEXT,
	PRIMARY KEY("ID")
);
CREATE TABLE IF NOT EXISTS "rxns" (
	"Precursor_InChIKey"	TEXT,
	"Product_InChIKey"	TEXT,
	"rxn_type"	TEXT
);
CREATE TABLE IF NOT EXISTS "list_membership" (
	"InChIKey"	TEXT,
	"List"	TEXT,
	FOREIGN KEY("InChIKey") REFERENCES "molecules"("InChIKey")
);
CREATE TABLE IF NOT EXISTS "mol_props" (
	"ID"	TEXT,
	"MolForm"	TEXT,
	"ExactMass"	REAL,
	"FormalCharge"	INTEGER,
	"HBD"	INTEGER,
	"HBA"	INTEGER,
	FOREIGN KEY("ID") REFERENCES "molecules"("ID")
);
CREATE TABLE IF NOT EXISTS "cfm_neg" (
	"ID"	TEXT,
	"spectrum"	TEXT,
	FOREIGN KEY("ID") REFERENCES "molecules"("ID")
);
CREATE TABLE IF NOT EXISTS "cfm_pos" (
	"ID"	TEXT,
	"spectrum"	TEXT,
	FOREIGN KEY("ID") REFERENCES "molecules"("ID")
);
CREATE TABLE IF NOT EXISTS "bio_rxns" (
	"Precursor_InChIKey"	TEXT,
	"Product_InChIKey"	TEXT,
	"Reaction"	TEXT,
	"Reaction_ID"	TEXT,
	"Enzyme(s)"	TEXT,
	"Biosystem"	TEXT
);
CREATE TABLE IF NOT EXISTS "hyd_rxns" (
	"Precursor_InChIKey"	TEXT,
	"Product_InChIKey"	TEXT,
	"Reaction"	TEXT,
	"RxnStep"	INTEGER
);
COMMIT;