smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CC1=CC[N@@H+](CCCC(=O)[O-])CC1 389250930 951347339 /nfs/dbraw/zinc/34/73/39/951347339.db2.gz DHVLFYQNJNIZCD-UHFFFAOYSA-N 0 1 194.234 1.007 20 50 ADGDMN