smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(O)c2c(c1)C(=O)[C@@]13C(=C2[O-])C(=O)[C@H]2[C@@H](O)[C@@H]1[C@H]1[C@H](O)[C@@H]3C(=O)C3=C([O-])c4c(O)cc(C)cc4C(=O)[C@]321 ZINC000473088573 562897306 /nfs/dbraw/zinc/89/73/06/562897306.db2.gz OYNIPTDPTUSUAY-PUTAFCBNSA-N -2 1 542.496 2.011 10 30 KEEEML