smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH2+]=C(NCCNC(=[NH2+])c1cc(Br)cc([N+](=O)[O-])c1)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000004014355 552426286 /nfs/dbraw/zinc/42/62/86/552426286.db2.gz KYAHNWWAFGENLO-UHFFFAOYSA-N 2 0 514.134 3.558 50 5 KHBARP