smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c([O-])c(C(c2ccc([N+](=O)[O-])cc2)c2c(O)n(C)c(=O)n(C)c2=O)c(=O)n(C)c1=O ZINC000036465214 563095353 /nfs/dbraw/zinc/09/53/53/563095353.db2.gz LLAQDTOAEKBMCX-UHFFFAOYSA-N -1 2 445.388 -1.019 1 5 IABFLM