smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(C=C(O)c1ccccc1)CC([O-])=C1C(=O)c2ccccc2C1=O ZINC000100478309 219100379 /nfs/dbraw/zinc/10/03/79/219100379.db2.gz DOFLIVSIPPGUBF-UHFFFAOYSA-N -1 2 334.327 2.483 40 10 EECBLM Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1O ZINC000001686480 462585261 /nfs/dbraw/zinc/58/52/61/462585261.db2.gz PKDUMHGJDDHOCT-UHFFFAOYSA-N -1 2 344.198 2.016 40 10 EECBLM O=C([O-])c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3)C2=O)cc1 ZINC000408934237 466684825 /nfs/dbraw/zinc/68/48/25/466684825.db2.gz DDXWFQRHSCMWLV-GXDHUFHOSA-N -1 2 336.303 2.051 40 10 EECBLM