smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[S@@+](CCCCc1ccc(CCCC(=O)[O-])cc1)CC(P(=O)([O-])O)[P@@](=O)([O-])O ZINC000028862465 563083239 /nfs/dbraw/zinc/08/32/39/563083239.db2.gz ZDMOFNYQEFTJCO-MUUNZHRXSA-O -2 2 455.426 2.346 1 30 JEEFLL C[S@@+](CCCCc1ccc(CCCC(=O)[O-])cc1)CC(P(=O)([O-])O)[P@](=O)([O-])O ZINC000028862465 563083241 /nfs/dbraw/zinc/08/32/41/563083241.db2.gz ZDMOFNYQEFTJCO-MUUNZHRXSA-O -2 2 455.426 2.346 1 30 JEEFLL O=C([O-])C(=O)C=C(O)c1ccc2c(c1)c(=O)c(C(=O)C=C(O)C(=O)[O-])cn2Cc1ccc(F)cc1 ZINC000101083063 581102255 /nfs/dbraw/zinc/10/22/55/581102255.db2.gz YZJHFZGURSEKJH-LVTUVZGMSA-N -2 2 481.388 2.294 1 30 JEEFLL C[S@+](CCCCc1ccc(CCCC(=O)[O-])cc1)CC(P(=O)([O-])O)[P@@](=O)([O-])O ZINC000028862466 563083271 /nfs/dbraw/zinc/08/32/71/563083271.db2.gz ZDMOFNYQEFTJCO-NDEPHWFRSA-O -2 2 455.426 2.346 1 30 JEEFLL C[S@+](CCCCc1ccc(CCCC(=O)[O-])cc1)CC(P(=O)([O-])O)[P@](=O)([O-])O ZINC000028862466 563083272 /nfs/dbraw/zinc/08/32/72/563083272.db2.gz ZDMOFNYQEFTJCO-NDEPHWFRSA-O -2 2 455.426 2.346 1 30 JEEFLL