smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@H+](CC(=O)OC)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000728708564 576520287 /nfs/dbraw/zinc/52/02/87/576520287.db2.gz AEYDSQJZNKUQME-UHFFFAOYSA-N -2 2 343.379 2.324 10 10 EECELL