smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)CNc1nc(N)[nH+]c2c1CCN(C(=O)CN1CC[NH2+]CC1)CC2 ZINC000072431381 484004602 /nfs/dbraw/zinc/00/46/02/484004602.db2.gz LYRAQWDDVCZHCT-UHFFFAOYSA-N 2 2 359.478 -0.121 50 30 FBEALP