smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)CNC(=O)CNC(=O)[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c([O-])c3c21 ZINC001185559630 1071831762 /nfs/dbraw/zinc/83/17/62/1071831762.db2.gz YHNALWRRMGQGKF-LURJTMIESA-N -1 0 420.330 -1.015 20 10 HACDRM COC(=O)CNC(=O)CNC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c([O-])c3c21 ZINC001185559631 1071831799 /nfs/dbraw/zinc/83/17/99/1071831799.db2.gz YHNALWRRMGQGKF-ZCFIWIBFSA-N -1 0 420.330 -1.015 20 10 HACDRM NC(=O)CNC(=O)CNC(=O)CNS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251448101 1072304706 /nfs/dbraw/zinc/30/47/06/1072304706.db2.gz VHSVPSJEJSVDJM-UHFFFAOYSA-N -1 0 413.239 -1.305 20 10 HACDRM