smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([N-]Cc1ccccn1)C(F)F 217606041 169330133 /nfs/dbraw/zinc/33/01/33/169330133.db2.gz MVQQLDVUDSDSEM-UHFFFAOYSA-N -1 3 186.161 0.963 50 70 ACIAHM