smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1 ZINC000002159505 482529337 /nfs/dbraw/zinc/52/93/37/482529337.db2.gz RQFCJASXJCIDSX-UUOKFMHZSA-N -1 2 363.223 -2.570 50 0 endogenous,in-man FAAALM Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1 ZINC000002159505 482529324 /nfs/dbraw/zinc/52/93/24/482529324.db2.gz RQFCJASXJCIDSX-UUOKFMHZSA-N -1 2 363.223 -2.570 50 0 endogenous,in-man FAAALM Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]1O ZINC000003927870 482532506 /nfs/dbraw/zinc/53/25/06/482532506.db2.gz GIUYCYHIANZCFB-FJFJXFQQSA-N -1 2 365.214 -1.724 50 0 fda FAAALM Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]1O ZINC000003927870 482532501 /nfs/dbraw/zinc/53/25/01/482532501.db2.gz GIUYCYHIANZCFB-FJFJXFQQSA-N -1 2 365.214 -1.724 50 0 fda FAAALM O=c1[nH]c2c(ncn2[C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1 ZINC000004228292 482532975 /nfs/dbraw/zinc/53/29/75/482532975.db2.gz DCTLYFZHFGENCW-UUOKFMHZSA-N -1 2 364.207 -2.859 50 0 endogenous,in-man FAAALM O=c1[nH]c2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)c(=O)[nH]1 ZINC000004228292 482532971 /nfs/dbraw/zinc/53/29/71/482532971.db2.gz DCTLYFZHFGENCW-UUOKFMHZSA-N -1 2 364.207 -2.859 50 0 endogenous,in-man FAAALM Nc1nc2c(ncn2[C@H]2O[C@@H](CO[P@](=O)([O-])O)[C@H](O)[C@H]2O)c(=O)[nH]1 ZINC000009334496 483732277 /nfs/dbraw/zinc/73/22/77/483732277.db2.gz RQFCJASXJCIDSX-HJGQOHIQSA-N -1 2 363.223 -2.570 50 0 FAAALM Nc1nc2c(ncn2[C@H]2O[C@@H](CO[P@@](=O)([O-])O)[C@H](O)[C@H]2O)c(=O)[nH]1 ZINC000009334496 483732274 /nfs/dbraw/zinc/73/22/74/483732274.db2.gz RQFCJASXJCIDSX-HJGQOHIQSA-N -1 2 363.223 -2.570 50 0 FAAALM Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000012501413 210138496 /nfs/dbraw/zinc/13/84/96/210138496.db2.gz RQFCJASXJCIDSX-FJFJXFQQSA-N -1 2 363.223 -2.570 50 0 biogenic,in-vitro FAAALM Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000012501413 210138490 /nfs/dbraw/zinc/13/84/90/210138490.db2.gz RQFCJASXJCIDSX-FJFJXFQQSA-N -1 2 363.223 -2.570 50 0 biogenic,in-vitro FAAALM Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000012958448 482704227 /nfs/dbraw/zinc/70/42/27/482704227.db2.gz RQFCJASXJCIDSX-GFRUICAKSA-N -1 2 363.223 -2.570 50 0 biogenic,in-vitro FAAALM Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@H](O)[C@@H]2O)c(=O)[nH]1 ZINC000012958448 482704221 /nfs/dbraw/zinc/70/42/21/482704221.db2.gz RQFCJASXJCIDSX-GFRUICAKSA-N -1 2 363.223 -2.570 50 0 biogenic,in-vitro FAAALM Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@H](O)[C@H]2O)c(=O)[nH]1 ZINC000016546189 220186513 /nfs/dbraw/zinc/18/65/13/220186513.db2.gz RQFCJASXJCIDSX-FTWQFJAYSA-N -1 2 363.223 -2.570 50 0 biogenic,in-vitro FAAALM Nc1nc2c(ncn2[C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@H](O)[C@H]2O)c(=O)[nH]1 ZINC000016546189 220186509 /nfs/dbraw/zinc/18/65/09/220186509.db2.gz RQFCJASXJCIDSX-FTWQFJAYSA-N -1 2 363.223 -2.570 50 0 biogenic,in-vitro FAAALM