smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(CCCl)Cc1cccc2ccccc21 ZINC000003172708 717095193 /nfs/dbraw/zinc/09/51/93/717095193.db2.gz YHYODVCDEWPJES-UHFFFAOYSA-N 1 0 248.777 3.655 10 50 BHGERO