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+]CCCC[NH2+]CCCNC(=O)Cc1cccc2ccccc21 ZINC000004654875 539388948 /nfs/dbraw/zinc/38/89/48/539388948.db2.gz ZUINPPQIQARTKX-UHFFFAOYSA-N 2 3 370.541 2.197 50 0 in-vitro FEAAHP