smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(OC)c(C2=NO[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(=O)[C@@H]23)c1 ZINC000102885069 560834140 /nfs/dbraw/zinc/83/41/40/560834140.db2.gz WZUUZSSWXMLOCE-WMZOPIPTSA-N -1 2 411.370 2.213 50 5 HEBALM COc1ccc(OC)c(C2=NO[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4C)C(=O)[C@@H]23)c1 ZINC000102885071 560834126 /nfs/dbraw/zinc/83/41/26/560834126.db2.gz WZUUZSSWXMLOCE-FUHWJXTLSA-N -1 2 411.370 2.213 50 5 HEBALM