smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@@H+](C/C=C/C#CC(C)(C)C)Cc1cccc(OCC(C)(C)OCc2ccsc2)c1 ZINC000001903402 562925314 /nfs/dbraw/zinc/92/53/14/562925314.db2.gz FQZFIVOMFHKBCE-CSKARUKUSA-N 1 1 439.665 6.550 30 30 investigational IKECMO