smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCN(C)c1nc(C)c([N+](=O)[O-])c(-n2cc[nH+]c2C)n1 ZINC000038874374 183012514 /nfs/dbraw/zinc/01/25/14/183012514.db2.gz MHPAXXBYEZGBPZ-UHFFFAOYSA-N 1 1 304.354 2.424 1 5 DEBFMO