smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1ccc(NC(=O)c2cc3ccccc3cc2[O-])cc1 ZINC000095557781 185009322 /nfs/dbraw/zinc/00/93/22/185009322.db2.gz ZUGFGOXYNSPETI-UHFFFAOYSA-N -1 1 278.311 3.380 1 10 CGCFMM Nc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1 ZINC000105092591 186041678 /nfs/dbraw/zinc/04/16/78/186041678.db2.gz DWHQAQRALOBRLS-ISLYRVAYSA-N -1 1 279.303 3.163 1 10 CGCFMM