smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cc2c(c([N+](=O)[O-])c1)N[C@@H](C(=O)[O-])[C@H]1CC=C[C@H]21 ZINC000005034302 425623156 /nfs/dbraw/zinc/62/31/56/425623156.db2.gz BXECKKNQWBXRLS-PKFCDNJMSA-N -1 0 304.302 2.532 30 10 DFCCRM CCOc1cc2c(c([N+](=O)[O-])c1)N[C@@H](C(=O)[O-])[C@@H]1CC=C[C@H]21 ZINC000005034307 286556721 /nfs/dbraw/zinc/55/67/21/286556721.db2.gz BXECKKNQWBXRLS-IMSIIYSGSA-N -1 0 304.302 2.532 30 10 DFCCRM O=C([O-])c1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1 ZINC000083327216 304231850 /nfs/dbraw/zinc/23/18/50/304231850.db2.gz BOHJANKWUOPAIE-JLHYYAGUSA-N -1 0 316.382 2.841 30 10 DFCCRM