smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)c1ccn(C)c(=O)c1[O-] 218310860 167372574 /nfs/dbraw/zinc/37/25/74/167372574.db2.gz KKDABCINHWMCHU-UHFFFAOYSA-N -1 0 197.190 0.268 40 70 ACIBRM