smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=P1([O-])NP(=O)([O-])NP(=O)([O-])NP(=O)([O-])N1 ZINC000263621383 373158445 /nfs/dbraw/zinc/15/84/45/373158445.db2.gz PTDSNNVMKZYOAN-UHFFFAOYSA-N -4 2 315.980 -1.240 50 0 DAAALL O=C([O-])C[NH+](CCC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-] ZINC000001769289 304066351 /nfs/dbraw/zinc/06/63/51/304066351.db2.gz DMQQXDPCRUGSQB-UHFFFAOYSA-N -2 2 306.271 -1.681 50 0 DAAALL O=P([O-])(O)OC[C@H]1O[C@]2(CO[P@@](=O)([O-])O2)[C@H](O)[C@@H]1O ZINC000215856195 373066614 /nfs/dbraw/zinc/06/66/14/373066614.db2.gz OYLOOUQOYVXAHA-KAZBKCHUSA-N -2 2 322.099 -1.940 50 0 DAAALL O=P([O-])(O)OC[C@H]1O[C@]2(CO[P@](=O)([O-])O2)[C@H](O)[C@@H]1O ZINC000215856195 373066617 /nfs/dbraw/zinc/06/66/17/373066617.db2.gz OYLOOUQOYVXAHA-KAZBKCHUSA-N -2 2 322.099 -1.940 50 0 DAAALL O=[P@]([O-])(O)OC[C@H]1O[C@]2(COP(=O)([O-])O2)[C@H](O)[C@@H]1O ZINC000215856195 373066624 /nfs/dbraw/zinc/06/66/24/373066624.db2.gz OYLOOUQOYVXAHA-KAZBKCHUSA-N -2 2 322.099 -1.940 50 0 DAAALL O=[P@@]([O-])(O)OC[C@H]1O[C@]2(COP(=O)([O-])O2)[C@H](O)[C@@H]1O ZINC000215856195 373066628 /nfs/dbraw/zinc/06/66/28/373066628.db2.gz OYLOOUQOYVXAHA-KAZBKCHUSA-N -2 2 322.099 -1.940 50 0 DAAALL O=P([O-])(O)OC[C@H]1O[C@]2(CO[P@@](=O)([O-])O2)[C@H](O)[C@H]1O ZINC000215856243 373066229 /nfs/dbraw/zinc/06/62/29/373066229.db2.gz OYLOOUQOYVXAHA-MOJAZDJTSA-N -2 2 322.099 -1.940 50 0 DAAALL O=P([O-])(O)OC[C@H]1O[C@]2(CO[P@](=O)([O-])O2)[C@H](O)[C@H]1O ZINC000215856243 373066234 /nfs/dbraw/zinc/06/62/34/373066234.db2.gz OYLOOUQOYVXAHA-MOJAZDJTSA-N -2 2 322.099 -1.940 50 0 DAAALL O=[P@]([O-])(O)OC[C@H]1O[C@]2(COP(=O)([O-])O2)[C@H](O)[C@H]1O ZINC000215856243 373066238 /nfs/dbraw/zinc/06/62/38/373066238.db2.gz OYLOOUQOYVXAHA-MOJAZDJTSA-N -2 2 322.099 -1.940 50 0 DAAALL O=[P@@]([O-])(O)OC[C@H]1O[C@]2(COP(=O)([O-])O2)[C@H](O)[C@H]1O ZINC000215856243 373066243 /nfs/dbraw/zinc/06/62/43/373066243.db2.gz OYLOOUQOYVXAHA-MOJAZDJTSA-N -2 2 322.099 -1.940 50 0 DAAALL