smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc([N+](=O)[O-])ccc1NC(=O)NCC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000012474013 522978548 /nfs/dbraw/zinc/97/85/48/522978548.db2.gz OXPWPEKTXJVXIX-UHFFFAOYSA-N 0 1 432.908 4.291 10 5 IIBEMN