smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC[NH3+])C(=O)C[NH3+] 217784557 487028421 /nfs/dbraw/zinc/02/84/21/487028421.db2.gz UHDCNKKIPLCLFR-UHFFFAOYSA-N 2 0 145.206 -1.248 20 70 AAIDRP