smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2c(c1CN1CC[NH2+]CC1)OC(=Cc1c[nH]c3ccncc13)C2=O ZINC000095558751 208231806 /nfs/dbraw/zinc/23/18/06/208231806.db2.gz LBKHGMSDKVXRDB-JMIUGGIZSA-N 1 3 390.443 2.593 1 30 GFEFHO