smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)CNC(=O)CNC(=O)c1cc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1[O-] ZINC000028712804 563063016 /nfs/dbraw/zinc/06/30/16/563063016.db2.gz HDZHHJBXXQBGCO-UHFFFAOYSA-N -1 1 427.373 0.863 1 5 ICBFMM COc1cc2cc3oc(C)cc([O-])c-3c(=O)c2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 ZINC000033753283 563084706 /nfs/dbraw/zinc/08/47/06/563084706.db2.gz CDMUGCVTTUOCFT-IAAKTDFRSA-N -1 1 434.397 0.148 1 5 ICBFMM