smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[nH]c2c(c(=O)[nH]1)[C@@H](c1ccc([N+](=O)[O-])cc1)C1(O2)C(=O)NC(=O)NC1=O ZINC000263587043 570928613 /nfs/dbraw/zinc/92/86/13/570928613.db2.gz BJDQUZSNALIRGM-MRVPVSSYSA-N 0 2 387.264 -0.575 50 5 GBBALN O=c1[nH]c2c(c(=O)[nH]1)[C@H](c1ccc([N+](=O)[O-])cc1)C1(O2)C(=O)NC(=O)NC1=O ZINC000263587044 206287237 /nfs/dbraw/zinc/28/72/37/206287237.db2.gz BJDQUZSNALIRGM-QMMMGPOBSA-N 0 2 387.264 -0.575 50 5 GBBALN