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](COP(=O)([O-])[O-])O2)cc1[N+](=O)[O-] ZINC000013514853 560218151 /nfs/dbraw/zinc/21/81/51/560218151.db2.gz LVLPVLNNXRTCHP-RRKCRQDMSA-N -3 0 353.180 -1.798 10 5 in-vitro FABERL O=[N+]([O-])c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1OP(=O)([O-])[O-] ZINC000584649534 483283927 /nfs/dbraw/zinc/28/39/27/483283927.db2.gz AWXOTYISDZSDMS-GWOFURMSSA-N -2 0 367.203 -1.116 10 5 FABERL