smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCNc1[nH]cc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000072112382 170177711 /nfs/dbraw/zinc/17/77/11/170177711.db2.gz OIWCVTVPPSSKGW-UHFFFAOYSA-N 1 1 232.243 2.417 1 5 BEBFMO Cc1cc2c(c([N+](=O)[O-])c1)N[C@H]1CC[N@H+](C)C[C@@H]21 ZINC000028572800 178283768 /nfs/dbraw/zinc/28/37/68/178283768.db2.gz XQECICYHRAWQOK-QWRGUYRKSA-N 1 1 247.298 2.116 1 5 BEBFMO