smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccnc1[N-]c1ncnc([N-]c2cccc3cccnc32)c1[N+](=O)[O-] ZINC000040625696 208258049 /nfs/dbraw/zinc/25/80/49/208258049.db2.gz UIFSMCNYZQTBFC-UHFFFAOYSA-N -2 3 373.376 4.124 10 5 FIBEHL