smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CSc1ccc(C)c(S)c1 71791892 168310690 /nfs/dbraw/zinc/31/06/90/168310690.db2.gz PSDWXGKLWHEYCV-UHFFFAOYSA-N 0 2 170.302 3.006 30 0 AGACLN