smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(O)c(-c2cscn2)c(=O)o1 ZINC000218309501 178194018 /nfs/dbraw/zinc/19/40/18/178194018.db2.gz PTBOGQUCMHAAAX-UHFFFAOYSA-N 0 2 209.226 1.777 40 70 BDIBLN