smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C=C2C(=O)NC(=S)N(C)C2=O)ccc1O[C@H](C)C(=O)[O-] ZINC000008262080 204324267 /nfs/dbraw/zinc/32/42/67/204324267.db2.gz BIMGELWPYHVGFE-VSBFRKNKSA-N -2 0 364.379 0.804 40 10 FCCBRL CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCC(=O)[O-] ZINC000409044716 528256415 /nfs/dbraw/zinc/25/64/15/528256415.db2.gz HMRSLXGFHNLLMP-UHFFFAOYSA-N -2 0 368.729 0.952 40 10 FCCBRL O=C([O-])c1cc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)ccc1O ZINC000226860042 488451971 /nfs/dbraw/zinc/45/19/71/488451971.db2.gz DMYZZLAHRFMZMT-UHFFFAOYSA-N -3 0 362.319 0.775 40 10 FCCBRL Nc1[nH][n-]c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000100789913 488494537 /nfs/dbraw/zinc/49/45/37/488494537.db2.gz BPVQLIWDRZKNJN-HOBGCTPMSA-N -2 0 365.400 0.798 40 10 FCCBRL