smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1nc(=O)c2c([nH]1)NCC(CO[P@@](=O)([O-])O[P@](=O)([O-])O)=N2 ZINC000008219624 560207363 /nfs/dbraw/zinc/20/73/63/560207363.db2.gz FCQGJGLSOWZZON-UHFFFAOYSA-N -2 2 355.140 -0.511 10 0 in-vitro,metabolite FBAELL Nc1nc(=O)c2c([nH]1)NCC(CO[P@@](=O)([O-])O[P@@](=O)([O-])O)=N2 ZINC000008219624 560207362 /nfs/dbraw/zinc/20/73/62/560207362.db2.gz FCQGJGLSOWZZON-UHFFFAOYSA-N -2 2 355.140 -0.511 10 0 in-vitro,metabolite FBAELL Nc1nc2c(c(=O)[nH]1)N=C(CO[P@@](=O)([O-])O[P@](=O)([O-])O)CN2 ZINC000008219624 560207361 /nfs/dbraw/zinc/20/73/61/560207361.db2.gz FCQGJGLSOWZZON-UHFFFAOYSA-N -2 2 355.140 -0.511 10 0 in-vitro,metabolite FBAELL Nc1nc2c(c(=O)[nH]1)N=C(CO[P@@](=O)([O-])O[P@@](=O)([O-])O)CN2 ZINC000008219624 560207359 /nfs/dbraw/zinc/20/73/59/560207359.db2.gz FCQGJGLSOWZZON-UHFFFAOYSA-N -2 2 355.140 -0.511 10 0 in-vitro,metabolite FBAELL COc1ccc(S(=O)(=O)NC(P(=O)([O-])O)[P@](=O)([O-])O)cc1 ZINC000169351255 484066811 /nfs/dbraw/zinc/06/68/11/484066811.db2.gz JPGBTOAGOAJLCR-UHFFFAOYSA-N -2 2 361.205 -0.388 10 0 FBAELL COc1ccc(S(=O)(=O)NC(P(=O)([O-])O)[P@@](=O)([O-])O)cc1 ZINC000169351255 484066803 /nfs/dbraw/zinc/06/68/03/484066803.db2.gz JPGBTOAGOAJLCR-UHFFFAOYSA-N -4 2 361.205 -0.388 10 0 FBAELL