smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(C)(C)c1cc([N+](=O)[O-])c([O-])c(C(C)(C)CC)c1 ZINC000019898275 567122082 /nfs/dbraw/zinc/12/20/82/567122082.db2.gz IAYZJMIHAWOMOQ-UHFFFAOYSA-N -1 1 279.380 4.676 50 5 CJBAMM