smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [N-]=[N+]=N[C@@H]1[C@H](n2cnc3c2nc[n-]c3=O)O[C@H](CO)[C@H]1O ZINC000096902911 185127406 /nfs/dbraw/zinc/12/74/06/185127406.db2.gz XVJKHWMRWQMWOZ-GQTRHBFLSA-N -1 3 293.243 -0.951 1 10 CBCFHM [O-]c1c2c(cc3c1CN[C@@H]1C3=C[C@H](O)[C@@H](O)[C@H]1O)OCO2 ZINC000040403359 174253600 /nfs/dbraw/zinc/25/36/00/174253600.db2.gz NPOIXEXHLCUVEG-PMEZXALUSA-N -1 3 293.275 -0.928 1 10 CBCFHM [N-]=[N+]=N[C@H]1C[C@H](n2cc(F)c(=O)[n-]c2=O)O[C@@H]1CO ZINC000006524037 170209965 /nfs/dbraw/zinc/20/99/65/170209965.db2.gz YXDSILBXLUFJID-RRKCRQDMSA-N -1 3 271.208 -0.366 1 10 CBCFHM