Supplementary tables for computational phytochemical profiling: curated multi-database dataset and docking-ready compound lists with status tracking

This deposit provides publication-ready supplementary tables supporting the computational phytochemical profiling component from an ethnobotanical study of venereal diseases conducted in Okitipupa LGA. It includes the fully curated multi-database dataset with PubChem-appended molecular identifiers (molecular weight, molecular formula, IUPAC name), as well as derived tables enumerating unique compounds suitable for docking, compound status classification (valid/vague/not found/not applicable), and mapping of unique compounds to plant species sources. These tables are intended for direct citation and reuse in journal submissions. Contents: Supplementary Table 1: curated comprehensive dataset with PubChem-appended identifiers (MW, formula, IUPAC) Supplementary Table 2: unique compounds selected as docking-ready (valid MW & formula) Supplementary Table 3: unique-compound status table (valid/vague/not found/not applicable) Supplementary Table 4: unique compounds with mapped plant species sources