smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccccc1O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O ZINC000077311851 569391382 /nfs/dbraw/zinc/39/13/82/569391382.db2.gz CURNKPXYSFMDNI-DPTJKYGCSA-N 0 0 403.340 -2.124 10 5 in-vitro HABERN Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)c2cc1C ZINC000253537589 559280628 /nfs/dbraw/zinc/28/06/28/559280628.db2.gz RPADDAUXKBBASM-NEBZKDRISA-N 0 0 406.395 -1.950 10 5 HABERN