smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCOc1ccc(S)cc1 ZINC000100507963 384337039 /nfs/dbraw/zinc/33/70/39/384337039.db2.gz SLRSRTGJXVJZJY-UHFFFAOYSA-N 0 2 224.369 4.325 40 30 BIEBLN