smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1c(Br)cc(/C=N\n2cnnc2)c([O-])c1Br ZINC000001210633 219389576 /nfs/dbraw/zinc/38/95/76/219389576.db2.gz QOUCGTARHYIVJI-VVHNFQOZSA-N -2 1 361.981 2.097 10 30 FEEEML