smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)C[C@H]1O[C@@H](OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O ZINC000027624520 717114508 /nfs/dbraw/zinc/11/45/08/717114508.db2.gz OXQQYUUJXYVZTJ-YDBCPLSKSA-O 1 0 418.423 -3.675 1 5 HABFRO C[C@@H](O)[C@@]1(O)C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3(C)CC[C@@H](OC1=O)[C@]23O ZINC000238756811 717162611 /nfs/dbraw/zinc/16/26/11/717162611.db2.gz BEYKNVFHFXUZQZ-JCKCDKCUSA-N 1 0 400.448 -1.177 1 5 HABFRO