smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])/C=C/c1ccccc1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ZINC000000895596 304023708 /nfs/dbraw/zinc/02/37/08/304023708.db2.gz GVRIYIMNJGULCZ-POUAJCPYSA-N -1 0 326.301 -1.037 1 0 endogenous,in-man EAAFRM Cc1nc2c(=O)[n-]c(=O)nc-2n(C[C@H](O)[C@@H](O)[C@@H](O)CO)c1C ZINC000001529923 560181209 /nfs/dbraw/zinc/18/12/09/560181209.db2.gz SXDXRJZUAJBNFL-OYNCUSHFSA-N -1 0 326.309 -2.877 1 0 endogenous,in-vitro EAAFRM Nc1nc2c(ncn2CO[C@@H](CO)CC[P@@](=O)([O-])O)c(=O)[nH]1 ZINC000001538774 201359332 /nfs/dbraw/zinc/35/93/32/201359332.db2.gz QVNXYSKNFUJRMI-ZCFIWIBFSA-N -1 0 333.241 -1.395 1 0 EAAFRM NC(=O)c1ccc[n+]([C@H]2O[C@@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c1 ZINC000003870106 210081736 /nfs/dbraw/zinc/08/17/36/210081736.db2.gz DAYLJWODMCOQEW-SJQPAMGKSA-O -1 0 335.229 -2.199 1 0 EAAFRM 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/nfs/dbraw/zinc/94/60/77/290946077.db2.gz OHEYCHKLBCPRLZ-VHCZEJTMSA-N -1 0 342.300 -1.331 1 0 biogenic,in-vitro EAAFRM CC[C@H](NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000013557371 201900416 /nfs/dbraw/zinc/90/04/16/201900416.db2.gz KZNYZWWOFXJQAB-DCAQKATOSA-N -1 0 331.369 -1.396 1 0 EAAFRM NC(=O)C[C@H](NC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(=O)[O-] ZINC000013584092 211585687 /nfs/dbraw/zinc/58/56/87/211585687.db2.gz ODCTUBPUHXFKPX-QMMMGPOBSA-N -1 0 346.390 -1.051 1 0 EAAFRM O=C([O-])[C@@H]1C[C@H]2O[C@@]3(C[C@H](O)[C@H](CO)CO3)[C@](O)(CO)[C@H]2[C@H](O)C1 ZINC000014653906 290946238 /nfs/dbraw/zinc/94/62/38/290946238.db2.gz YCATYHRROQAZDN-SFLVWTQSSA-N -1 0 348.348 -2.334 1 0 biogenic,in-vitro EAAFRM O=C([O-])[C@H]1CC[C@H]2[C@@H](C1)O[C@@]1(C[C@H](O)[C@H](CO)CO1)[C@]2(O)CO ZINC000014653918 290946285 /nfs/dbraw/zinc/94/62/85/290946285.db2.gz VUTLIYHSSWEGDL-KBIHYEQISA-N -1 0 332.349 -1.305 1 0 biogenic,in-vitro EAAFRM CO[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)O[C@@H](CO)[C@@H]2O)O[C@@H]1C(=O)[O-] ZINC000015259902 571737866 /nfs/dbraw/zinc/73/78/66/571737866.db2.gz YCJXYWPWBLPNQR-RZPZHJGPSA-N -1 0 340.281 -4.012 1 0 endogenous,in-man EAAFRM CO[C@H]1[C@@H](O)[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)O[C@@H](CO)[C@@H]2O)O[C@@H]1C(=O)[O-] ZINC000015259905 571737789 /nfs/dbraw/zinc/73/77/89/571737789.db2.gz YCJXYWPWBLPNQR-XEAJTIJJSA-N -1 0 340.281 -4.012 1 0 endogenous,in-man EAAFRM CO[C@@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)O[C@@H](CO)[C@@H]2O)O[C@@H]1C(=O)[O-] ZINC000015259908 571737901 /nfs/dbraw/zinc/73/79/01/571737901.db2.gz YCJXYWPWBLPNQR-QKSANXASSA-N -1 0 340.281 -4.012 1 0 endogenous,in-man EAAFRM CO[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]2[C@@H](O)O[C@@H](CO)[C@@H]2O)O[C@@H]1C(=O)[O-] ZINC000015259911 571737983 /nfs/dbraw/zinc/73/79/83/571737983.db2.gz YCJXYWPWBLPNQR-PTEKHOHASA-N -1 0 340.281 -4.012 1 0 endogenous,in-man EAAFRM O=C([O-])[C@@H]1O[C@@H](Sc2ncnc3[nH]cnc32)[C@@H](O)[C@@H](O)[C@@H]1O ZINC000017141798 211956536 /nfs/dbraw/zinc/95/65/36/211956536.db2.gz GEEUITSLAJGZSK-CNSLEUBMSA-N -1 0 328.306 -1.663 1 0 EAAFRM CC(=O)N[C@H]1[C@H](O)C[C@@H]([P@@](=O)([O-])O)O[C@@H]1[C@@H](O)[C@@H](O)CO ZINC000021289769 212219766 /nfs/dbraw/zinc/21/97/66/212219766.db2.gz QITAGYVZDNZULE-WJYNVNEKSA-N -1 0 329.242 -3.141 1 0 EAAFRM Nc1ncnc2c1ncn2[C@H]1O[C@@H]([C@@H](O)[P@@](=O)([O-])O)[C@@H]1CO ZINC000026143820 202139188 /nfs/dbraw/zinc/13/91/88/202139188.db2.gz RFGNCYZHZSYMIC-HQHIISTBSA-N -1 0 331.225 -1.590 1 0 EAAFRM O=C([O-])[C@@H]1O[C@H](NC(=O)c2ccc(F)c(F)c2)[C@H](O)[C@@H](O)[C@H]1O ZINC000026988392 202151299 /nfs/dbraw/zinc/15/12/99/202151299.db2.gz HYSCPTFKZDAZPL-FOKACVKASA-N -1 0 333.243 -1.413 1 0 EAAFRM O=C([O-])[C@@H]1O[C@H](NC(=O)c2ccc(F)c(F)c2)[C@H](O)[C@H](O)[C@H]1O ZINC000026988399 212543598 /nfs/dbraw/zinc/54/35/98/212543598.db2.gz HYSCPTFKZDAZPL-CDPPZIPSSA-N -1 0 333.243 -1.413 1 0 EAAFRM 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