smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@]12C[C@H](OS(=O)(=O)[O-])C[C@H]1[C@@H]1CC[C@@H]3CC(=O)C=C([O-])[C@]3(C)[C@H]1CC2 ZINC000012493791 571693918 /nfs/dbraw/zinc/69/39/18/571693918.db2.gz AWUIWQRSWWITFQ-BWGYWEJQSA-N -2 1 384.494 3.448 1 30 endogenous,in-man GGEFML C[C@@]12C[C@H](OS(=O)(=O)[O-])C[C@H]1[C@@H]1CC[C@H]3CC(=O)C=C([O-])[C@]3(C)[C@H]1CC2 ZINC000118913661 571843815 /nfs/dbraw/zinc/84/38/15/571843815.db2.gz AWUIWQRSWWITFQ-FALLLSTISA-N -2 1 384.494 3.448 1 30 endogenous,in-man GGEFML