smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(O[P@@](=O)([O-])O)cc1 ZINC000013441019 187251136 /nfs/dbraw/zinc/25/11/36/187251136.db2.gz BFTYVNASNGCVSQ-UHFFFAOYSA-N -1 2 204.118 1.167 1 0 BDAFLM COc1ccc(O[P@](=O)([O-])O)cc1 ZINC000013441019 187251138 /nfs/dbraw/zinc/25/11/38/187251138.db2.gz BFTYVNASNGCVSQ-UHFFFAOYSA-N -1 2 204.118 1.167 1 0 BDAFLM Cc1cc(=O)c2c(cc(O)cc2C(=O)[O-])o1 ZINC000014490879 560102391 /nfs/dbraw/zinc/10/23/91/560102391.db2.gz ZCNVIPLKMDPDHM-UHFFFAOYSA-N -1 2 220.180 1.505 1 0 endogenous,in-man BDAFLM C=Cc1ncc(CO[P@@](=O)([O-])O)c(C)c1O ZINC000169324260 188161431 /nfs/dbraw/zinc/16/14/31/188161431.db2.gz ORTIHDBFHWGSJA-UHFFFAOYSA-N -1 2 245.171 1.348 1 0 BDAFLM C=Cc1ncc(CO[P@](=O)([O-])O)c(C)c1O ZINC000169324260 188161433 /nfs/dbraw/zinc/16/14/33/188161433.db2.gz ORTIHDBFHWGSJA-UHFFFAOYSA-N -1 2 245.171 1.348 1 0 BDAFLM O=[P@]([O-])(O)ON1CCCc2cccc(O)c21 ZINC000028756333 132334197 /nfs/dbraw/zinc/33/41/97/132334197.db2.gz PWKCTLXVVJHIKH-UHFFFAOYSA-N -1 2 245.171 1.169 1 0 BDAFLM O=[P@@]([O-])(O)ON1CCCc2cccc(O)c21 ZINC000028756333 132334200 /nfs/dbraw/zinc/33/42/00/132334200.db2.gz PWKCTLXVVJHIKH-UHFFFAOYSA-N -1 2 245.171 1.169 1 0 BDAFLM Cc1cccc(C)c1O[P@@](=O)([O-])O ZINC000003012465 179048053 /nfs/dbraw/zinc/04/80/53/179048053.db2.gz MFFNRVNPBJQZFO-UHFFFAOYSA-N -1 2 202.146 1.775 1 0 BDAFLM Cc1cccc(C)c1O[P@](=O)([O-])O ZINC000003012465 179048056 /nfs/dbraw/zinc/04/80/56/179048056.db2.gz MFFNRVNPBJQZFO-UHFFFAOYSA-N -1 2 202.146 1.775 1 0 BDAFLM Cc1nc2ccc([P@@](=O)([O-])O)cc2s1 ZINC000003164945 180096219 /nfs/dbraw/zinc/09/62/19/180096219.db2.gz QLUGQIHKMZVBIL-UHFFFAOYSA-N -1 2 229.197 1.408 3 0 BDAFLM Cc1nc2ccc([P@](=O)([O-])O)cc2s1 ZINC000003164945 180096222 /nfs/dbraw/zinc/09/62/22/180096222.db2.gz QLUGQIHKMZVBIL-UHFFFAOYSA-N -1 2 229.197 1.408 3 0 BDAFLM O=C([O-])C[C@H](O)CC(=O)CCc1ccccc1 ZINC000026157359 581099827 /nfs/dbraw/zinc/09/98/27/581099827.db2.gz AOBNEADIHQEJLV-GFCCVEGCSA-N -1 2 236.267 1.414 1 0 in-vitro BDAFLM O=[P@@]([O-])(O)Oc1cccc2c1NCCC2 ZINC000012503720 581101668 /nfs/dbraw/zinc/10/16/68/581101668.db2.gz NSJSAHCLJYVEDM-UHFFFAOYSA-N -1 2 229.172 1.516 1 0 in-vivo BDAFLM O=[P@]([O-])(O)Oc1cccc2c1NCCC2 ZINC000012503720 581101669 /nfs/dbraw/zinc/10/16/69/581101669.db2.gz NSJSAHCLJYVEDM-UHFFFAOYSA-N -1 2 229.172 1.516 1 0 in-vivo BDAFLM