CREATE TABLE InfoCandidateMol
(
    ID INTEGER PRIMARY KEY AUTOINCREMENT NOT NULL,
    InChI TEXT NOT NULL,
    Batch INT
);

CREATE TABLE InfoCandidateSpec
(
    ID INTEGER PRIMARY KEY AUTOINCREMENT NOT NULL,
    InChI TEXT NOT NULL,
    FileOffset INTEGER NOT NULL,
    PeakNum INTEGER NOT NULL
);

CREATE TABLE SpecInfo
(
    ID INTEGER NOT NULL,
    FileOffset INTEGER NOT NULL,
    PeakNum INTEGER NOT NULL
);
CREATE TABLE MolInfo
(
    ID INTEGER PRIMARY KEY NOT NULL,
    InChI TEXT NOT NULL,
    InChIKey TEXT NOT NULL,
    Name TEXT NOT NULL,
    Database TEXT,
    Mass REAL NOT NULL
);
