smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-])c2cc1C ZINC000003831426 194362151 /nfs/dbraw/zinc/36/21/51/194362151.db2.gz FVTCRASFADXXNN-BZPMIXESSA-N -3 0 456.348 -1.607 40 5 in-vitro JABBRL Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@@H](O)[C@@H](O)[C@H](O)COP(=O)([O-])[O-])c2cc1C ZINC000003831428 194362261 /nfs/dbraw/zinc/36/22/61/194362261.db2.gz FVTCRASFADXXNN-YRGRVCCFSA-N -3 0 456.348 -1.607 40 5 in-vitro JABBRL Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COS(=O)(=O)[O-])c2cc1C ZINC000013513101 555484315 /nfs/dbraw/zinc/48/43/15/555484315.db2.gz RUUGCTAFWMEMDH-SCRDCRAPSA-N -2 0 456.433 -1.896 40 5 JABBRL