smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NCCC[NH2+]CCCCc1ccc(CCCC[NH3+])s1 ZINC000028652620 171569871 /nfs/dbraw/zinc/56/98/71/171569871.db2.gz IJSORLVBZCNNPT-UHFFFAOYSA-N 2 3 283.485 2.291 1 0 CEAFHP