smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1Nc1c(C)c(C)nc2c(C)cccc21 ZINC000217442966 567167468 /nfs/dbraw/zinc/16/74/68/567167468.db2.gz KIAAMVIVXYFHLH-UHFFFAOYSA-N 0 3 276.383 5.212 40 70 CKIBHN