smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc([O-])c(N=Cc2sc3ccccc3c2O)c1 ZINC000006345084 181333367 /nfs/dbraw/zinc/33/33/67/181333367.db2.gz MVYJADFDXIEEIL-LZYBPNLTSA-N -1 2 314.322 3.971 1 30 DHEFLM CCCCCCCc1cc(=O)c2c(CC(=O)[O-])cc(O)cc2o1 ZINC000043077465 183334262 /nfs/dbraw/zinc/33/42/62/183334262.db2.gz FWRNQJDZBAYORW-UHFFFAOYSA-N -1 2 318.369 3.639 1 30 DHEFLM