smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc(COc2c3ccccc3[nH+]c3ccccc32)cc1 ZINC000096915351 185128985 /nfs/dbraw/zinc/12/89/85/185128985.db2.gz KMBHODIBXCASSV-UHFFFAOYSA-N 1 1 285.346 4.967 10 5 CJBEMO