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)c1n[n-]c(-c2ccc(F)cc2)c1N=Nc1ccccc1 ZINC000103216144 204067140 /nfs/dbraw/zinc/06/71/40/204067140.db2.gz WSGMGXOIKRNIDK-LSDHQDQOSA-N -1 1 338.342 4.808 1 10 EJCFMM