smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)[N-]C(=O)C(F)(F)F ZINC000013302063 441156934 /nfs/dbraw/zinc/15/69/34/441156934.db2.gz ZGAYOJCPMFXFRG-ZETCQYMHSA-N -1 2 336.222 1.063 50 5 EDBALM O=C([O-])COc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1 ZINC000015009229 441193295 /nfs/dbraw/zinc/19/32/95/441193295.db2.gz HLJNIPMFPFDHFQ-ZZXKWVIFSA-N -1 2 333.256 1.018 50 5 EDBALM CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000002379673 440861557 /nfs/dbraw/zinc/86/15/57/440861557.db2.gz WKOHDYUJJUVBQB-VIFPVBQESA-N -1 2 326.305 1.821 50 5 EDBALM