smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(-c2ccccc2[O-])nc2ccc3ccccc3c12 ZINC000005337029 170087026 /nfs/dbraw/zinc/08/70/26/170087026.db2.gz JEEQQELNCQKWJS-UHFFFAOYSA-N -1 3 285.346 5.069 50 5 CKBAHM