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[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO[P@](=O)([O-])O)O2)cc1I ZINC000012501916 562982622 /nfs/dbraw/zinc/98/26/22/562982622.db2.gz WXFYBFRZROJDLL-RRKCRQDMSA-N -1 2 434.079 -0.689 10 0 in-vivo,metabolite IBAELM O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO[P@@](=O)([O-])O)O2)cc1I ZINC000012501916 562982620 /nfs/dbraw/zinc/98/26/20/562982620.db2.gz WXFYBFRZROJDLL-RRKCRQDMSA-N -1 2 434.079 -0.689 10 0 in-vivo,metabolite IBAELM