smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@@]1(CCC(=O)[O-])Cc2cc([O-])c(O)cc2C1=O ZINC000584618515 344966590 /nfs/dbraw/zinc/96/65/90/344966590.db2.gz KJNXHDXGIQRUPO-OAHLLOKOSA-N -2 1 278.304 2.488 10 10 CECEML CCC[C@]1(CCC(=O)[O-])Cc2cc([O-])c(O)cc2C1=O ZINC000584618514 344966532 /nfs/dbraw/zinc/96/65/32/344966532.db2.gz KJNXHDXGIQRUPO-HNNXBMFYSA-N -2 1 278.304 2.488 10 10 CECEML