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-])c1ccc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2[O-])cc1 ZINC000006644662 204257050 /nfs/dbraw/zinc/25/70/50/204257050.db2.gz CGVCYJQZKDEBIO-LJQANCHMSA-N -2 3 371.396 4.235 10 10 FICEHL O=C([O-])c1ccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2[O-])cc1 ZINC000006644660 570650908 /nfs/dbraw/zinc/65/09/08/570650908.db2.gz CGVCYJQZKDEBIO-IBGZPJMESA-N -2 3 371.396 4.235 10 10 FICEHL