smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCCC(C(=O)[O-])C(=O)[O-] ZINC000059439059 184138670 /nfs/dbraw/zinc/13/86/70/184138670.db2.gz SMTKGALBDOEZCA-UHFFFAOYSA-N -2 0 300.439 4.863 40 30 in-vitro DJEBRL Oc1ccccc1C=Nc1ccccc1N=Cc1ccccc1O ZINC000254414450 563912638 /nfs/dbraw/zinc/91/26/38/563912638.db2.gz HXFYGSOGECBSOY-UHFFFAOYSA-N -2 0 316.360 4.599 40 30 in-vivo DJEBRL