smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[n-]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1[N+](=O)[O-] ZINC000006090958 170175133 /nfs/dbraw/zinc/17/51/33/170175133.db2.gz USBZWPXQQCSGAV-RRKCRQDMSA-N -1 0 273.201 -1.915 1 5 CABFRM O=c1[n-]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)S2)cc1[N+](=O)[O-] ZINC000006524059 170209713 /nfs/dbraw/zinc/20/97/13/170209713.db2.gz IAGKOEAPVAYACR-RRKCRQDMSA-N -1 0 289.269 -1.198 1 5 CABFRM O=c1c([N+](=O)[O-])c([O-])ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC000006091582 170174863 /nfs/dbraw/zinc/17/48/63/170174863.db2.gz FSHQLILARCGYGH-VPCXQMTMSA-N -1 0 288.212 -1.926 1 5 CABFRM