smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1NC(=O)C(=CN2CC[NH2+]CC2)C(=O)N1 ZINC000027232424 343114184 /nfs/dbraw/zinc/11/41/84/343114184.db2.gz KRPQZLQSLOSNFP-UHFFFAOYSA-N 1 2 224.220 -1.859 40 10 BACBLO