smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(C=C2C(=O)NC(=S)NC2=O)CC1 ZINC000004702750 170001902 /nfs/dbraw/zinc/00/19/02/170001902.db2.gz WBEVPUYUBGRDGT-UHFFFAOYSA-N 1 0 254.315 -1.351 10 10 CACERO O=[N+]([O-])c1no[nH]c1=N[N+](=O)C(CO)(CO)[N+](=O)[O-] ZINC000044932678 175280572 /nfs/dbraw/zinc/28/05/72/175280572.db2.gz LDGGBYKNOIFOHZ-POHAHGRESA-N 1 0 278.137 -1.471 10 10 CACERO