smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1c2c3c(cccc3cc1O)-c1ccccc1-2 ZINC000040738262 174390197 /nfs/dbraw/zinc/39/01/97/174390197.db2.gz DMVIFNRBBXPCJJ-UHFFFAOYSA-N 0 2 263.252 4.101 10 5 CIBELN