smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CC(=O)[O-])Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000593289604 347878490 /nfs/dbraw/zinc/87/84/90/347878490.db2.gz YMKRVCNQAXUHJK-UHFFFAOYSA-N -2 1 240.215 0.817 20 5 BCBDML O=C([O-])COC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000819532692 585003195 /nfs/dbraw/zinc/00/31/95/585003195.db2.gz SGKYVCXQTSIATP-UHFFFAOYSA-N -2 1 241.155 0.542 20 5 BCBDML