smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1csc(=Nc2ccc(Br)cc2)n1CCC(O)(P(=O)([O-])O)[P@@](=O)([O-])O ZINC000024981119 556168366 /nfs/dbraw/zinc/16/83/66/556168366.db2.gz YNGJBFOSFBXUOC-UHFFFAOYSA-O -2 2 488.213 2.242 50 0 JEAALL Cc1csc(=Nc2ccc(Br)cc2)n1CCC(O)(P(=O)([O-])O)[P@](=O)([O-])O ZINC000024981119 556168367 /nfs/dbraw/zinc/16/83/67/556168367.db2.gz YNGJBFOSFBXUOC-UHFFFAOYSA-O -2 2 488.213 2.242 50 0 JEAALL O=c1[nH]c(=S)[nH]c([O-])c1C(c1cc(Br)ccc1O)C1C(=O)NC(=S)N=C1[O-] ZINC000016225650 527436787 /nfs/dbraw/zinc/43/67/87/527436787.db2.gz CHOSRINSCYDFFF-UHFFFAOYSA-N -2 2 471.314 2.238 50 0 JEAALL