smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(CN=Nc2nc3c(c(=O)n(C)c(=O)n3C)n2CCO)c(C(=O)[O-])c1OC ZINC000083293014 523460651 /nfs/dbraw/zinc/46/06/51/523460651.db2.gz GJNLUEQYOLTEMB-UKWGHVSLSA-N -1 1 446.420 -0.413 40 30 IBEBMM