smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nnc(SC(=Cc2cc([N+](=O)[O-])ccc2N2CC[NH+](C)CC2)C(=O)[O-])[nH]1 ZINC000409189304 560688653 /nfs/dbraw/zinc/68/86/53/560688653.db2.gz PCBLMWACZXGWHX-XNTDXEJSSA-N -1 2 404.452 1.991 40 5 HDBBLM COc1cc([N+](=O)[O-])c(S(=O)(=O)[O-])cc1NS(=O)(=O)c1ccc(C)cc1 ZINC000073258768 568771221 /nfs/dbraw/zinc/77/12/21/568771221.db2.gz XNNIMJUKXQWTMP-UHFFFAOYSA-N -1 2 402.406 1.959 40 5 HDBBLM