smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(C(=O)[O-])c(O)cc2c1C(=O)c1c(O)cc([O-])c(O)c1C2=O ZINC000014760978 441189301 /nfs/dbraw/zinc/18/93/01/441189301.db2.gz CXORMDKZEUMQHX-UHFFFAOYSA-N -2 1 330.248 1.291 10 10 in-vitro EDCEML COC1=C([O-])C2=C([O-])C(=O)C(c3ccc(O)c(O)c3)OC2=CC1=O ZINC000006483403 201361248 /nfs/dbraw/zinc/36/12/48/201361248.db2.gz JMIFIYIEXODVTO-UHFFFAOYSA-N -2 1 332.264 1.997 10 10 endogenous,in-man EDCEML