smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [S-]c1ccc(Cl)c([S-])c1 388264 342935643 /nfs/dbraw/zinc/93/56/43/342935643.db2.gz HCDLDZCJYMCKQH-UHFFFAOYSA-N -2 0 176.693 2.917 40 0 AFABRL