smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000050800125 221033696 /nfs/dbraw/zinc/03/36/96/221033696.db2.gz CQIQMLIPFGMUST-UHFFFAOYSA-N 2 2 360.458 2.192 50 5 FEBALP