smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOCc1c(C)[n-]c2ccccc2c1=O ZINC000217428641 388373023 /nfs/dbraw/zinc/37/30/23/388373023.db2.gz VCBSUAJHMHNRGZ-UHFFFAOYSA-N -1 3 217.268 2.373 50 70 BEIAHM