smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)CC[N@H+]1CCn2nc(CO)cc2C1 ZINC000217019389 173253145 /nfs/dbraw/zinc/25/31/45/173253145.db2.gz WBSSOIAQPQHDBS-UHFFFAOYSA-N 1 1 238.291 -0.673 50 70 BBIAMO