smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])c1ccc2nc(CCc3nc4ccc(C(N)=[NH2+])cc4[nH]3)[nH]c2c1 ZINC000005117258 210392710 /nfs/dbraw/zinc/39/27/10/210392710.db2.gz KIYLEUCIWFUYOC-UHFFFAOYSA-N 2 3 346.398 1.793 10 0 EDAEHP