smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCCCC#CCCCCCCCC[NH3+] ZINC000028652728 181373308 /nfs/dbraw/zinc/37/33/08/181373308.db2.gz DXNQGGKBKGCEKI-UHFFFAOYSA-N 2 0 224.392 2.808 1 30 BFEFRP