smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CCN1CCC(OCC[NH+]2CCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000072305749 570520594 /nfs/dbraw/zinc/52/05/94/570520594.db2.gz PSAZOBHPSXCKPP-UHFFFAOYSA-N 1 3 390.484 2.500 50 5 GFBAHO