smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH]c2ccc(CNC(=O)c3cnc(C)[nH]c3=O)cc2[nH+]1 ZINC000217948159 359033055 /nfs/dbraw/zinc/03/30/55/359033055.db2.gz MBCCNNILAXSXHG-UHFFFAOYSA-N -1 2 297.318 1.193 50 70 CDIALM