smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CC1c2ccccc2-c2ccccc21 1715382 169093098 /nfs/dbraw/zinc/09/30/98/169093098.db2.gz CJVMCKCMPQEKPZ-UHFFFAOYSA-N 0 2 191.233 3.322 50 30 in-vitro AGEALN