smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1csc(-c2sc3ccccc3c2[O-])n1 ZINC000000169003 342678913 /nfs/dbraw/zinc/67/89/13/342678913.db2.gz CKTCKDPHWPJIPT-UHFFFAOYSA-N -1 1 247.344 4.039 50 10 BICAMM