smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]([NH3+])CCC[NH2+]CCCN 95578776 168361790 /nfs/dbraw/zinc/36/17/90/168361790.db2.gz WBPWRRKPNVCJJL-MRVPVSSYSA-N 2 3 159.277 0.052 1 0 ACAFHP