smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[n-]c(C=Cc2cn(Cc3ccccc3Cl)c3ccccc23)nc([O-])c1[N+](=O)[O-] ZINC000409329202 560710015 /nfs/dbraw/zinc/71/00/15/560710015.db2.gz BYJHWCVMKATCLQ-KTKRTIGZSA-N -2 1 422.828 4.623 40 5 HJBBML