smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(-c2oc3c(CC=C(C)C)c([O-])cc([O-])c3c(=O)c2O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)cc1 ZINC000034199137 291765375 /nfs/dbraw/zinc/76/53/75/291765375.db2.gz NGMYNFJANBHLKA-DYAPJGKMSA-N -2 1 514.527 2.595 10 0 biogenic,in-vitro KFAEML CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])C(Cl)(Cl)[P@](=O)([O-])O)[C@@H](O)[C@H]1O ZINC000085537017 562753168 /nfs/dbraw/zinc/75/31/68/562753168.db2.gz PAEBIVWUMLRPSK-IDTAVKCVSA-N -3 1 776.366 2.851 10 0 fda KFAEML CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])C(Cl)(Cl)[P@@](=O)([O-])O)[C@@H](O)[C@H]1O ZINC000085537017 562753167 /nfs/dbraw/zinc/75/31/67/562753167.db2.gz PAEBIVWUMLRPSK-IDTAVKCVSA-N -3 1 776.366 2.851 10 0 fda KFAEML