smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C(=O)[N-]c2cc(Cl)cc([N+](=O)[O-])c2[O-])no1 ZINC000097046252 375501192 /nfs/dbraw/zinc/50/11/92/375501192.db2.gz DAXPFYKRFRYCAT-UHFFFAOYSA-N -2 3 297.654 2.503 50 5 CFBAHL O=c1cc(-c2ccc([N+](=O)[O-])cc2)c2c([O-])cc([O-])cc2o1 ZINC000005731166 285216094 /nfs/dbraw/zinc/21/60/94/285216094.db2.gz PSRVDWLREFHUHM-UHFFFAOYSA-N -2 3 299.238 2.779 50 5 CFBAHL