smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1n([O-])c2c(c3c(c4c2[n+]([O-])c(C)n4[O-])[n+]([O-])c(C)n3[O-])[n+]1[O-] ZINC000013302031 293089433 /nfs/dbraw/zinc/08/94/33/293089433.db2.gz PBGDULLBTKPYRN-UHFFFAOYSA-N -3 3 336.264 -0.912 40 5 EBBBHL