smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1[nH]c2ccccc2c1CC[NH2+]c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000015965745 563801399 /nfs/dbraw/zinc/80/13/99/563801399.db2.gz CEGSUKYESLWKJP-UHFFFAOYSA-N 2 2 328.419 4.961 50 10 investigational EJCALP