smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CONS(=O)(=O)CC[O+]=NN(O)NC(C)C ZINC000095575924 185011397 /nfs/dbraw/zinc/01/13/97/185011397.db2.gz QDFJHOLZBMQRBT-UHFFFAOYSA-N 1 0 256.284 -0.726 1 10 CBCFRO