smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1ccc(Br)cc1CNc1cccc[nH+]1 ZINC000000554975 368386928 /nfs/dbraw/zinc/38/69/28/368386928.db2.gz IYNLDYVCGYLWAD-UHFFFAOYSA-N -1 2 279.137 3.162 50 10 CGCALM