smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(-c2cc3ccccc3c3ccccc32)c(C(=O)[O-])c(C)[nH+]1 ZINC000005538650 563537730 /nfs/dbraw/zinc/53/77/30/563537730.db2.gz OLRRGQVSGOYRJG-UHFFFAOYSA-N 0 2 327.383 5.370 40 5 EKBBLN