smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[P@H]([O-])c1cc2c3ccccc3ccc2c2ccccc21 ZINC000006576431 170214655 /nfs/dbraw/zinc/21/46/55/170214655.db2.gz DCOUEHGTKFIGTP-UHFFFAOYSA-N -1 1 292.274 4.239 40 5 CIBBMM O=C1C=C([O-])c2c3cc4ccccc4cc3ccc2C1O ZINC000002242727 567845064 /nfs/dbraw/zinc/84/50/64/567845064.db2.gz JRJCGIGCZJTRSG-UHFFFAOYSA-N -1 1 276.291 4.364 40 5 CIBBMM Cc1c(C(C)(C)C)cc(C(C)(C)C)c([O-])c1[N+](=O)[O-] ZINC000031723331 567181586 /nfs/dbraw/zinc/18/15/86/567181586.db2.gz DHSKQZOTQWDACW-UHFFFAOYSA-N -1 1 265.353 4.204 40 5 CIBBMM