smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc(-c2cccc3[nH+]ccn23)cc1 63539572 1224174121 /nfs/dbraw/zinc/17/41/21/1224174121.db2.gz VBNVOUSYMPNLEN-UHFFFAOYSA-N 1 2 194.237 3.001 1 0 AGAFLO