smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1cc(S)cc(CC)c1 15443427 343042160 /nfs/dbraw/zinc/04/21/60/343042160.db2.gz XOZJGLFOGQSTIW-UHFFFAOYSA-N 0 1 166.289 3.100 30 0 AGACMN CCCCc1cccc(S)c1 59750325 343347590 /nfs/dbraw/zinc/34/75/90/343347590.db2.gz LPVIODAMAHTWHF-UHFFFAOYSA-N 0 1 166.289 3.318 30 0 AGACMN