smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])C(=O)C=C(O)c1nc2cncnc2n1Cc1ccccc1 ZINC000101042932 193807580 /nfs/dbraw/zinc/80/75/80/193807580.db2.gz HUGOAHZZOTZKJP-WUXMJOGZSA-N -1 2 324.296 1.427 1 30 DDEFLM