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 1071831776 /nfs/dbraw/zinc/83/17/76/1071831776.db2.gz YHNALWRRMGQGKF-LURJTMIESA-N -2 3 420.330 -1.015 20 10 HACDHL COC(=O)CNC(=O)CNC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185559631 1071831810 /nfs/dbraw/zinc/83/18/10/1071831810.db2.gz YHNALWRRMGQGKF-ZCFIWIBFSA-N -2 3 420.330 -1.015 20 10 HACDHL