smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2nc([N-]N=C3C(=O)NC(=O)NC3=O)n(CCO)c2c(=O)[nH]c1=O ZINC000002589487 204045723 /nfs/dbraw/zinc/04/57/23/204045723.db2.gz MUFRGAYGTMBEIZ-UHFFFAOYSA-N -2 1 364.278 -2.406 50 30 FAEAML