smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)C1(NS(=O)(=O)c2ccccc2[N+](=O)[O-])CNC1 ZINC000715486136 663842670 /nfs/dbraw/zinc/84/26/70/663842670.db2.gz HALYCXMMZKUKND-UHFFFAOYSA-N 0 1 300.296 -1.300 50 5 DABAMN