smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(CC[C@H](N)C(=O)NCc1ccccc1)C[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1O ZINC000073196767 717134425 /nfs/dbraw/zinc/13/44/25/717134425.db2.gz HMMXGXFOFLYYIN-NMNPZVDOSA-O 1 3 485.569 -0.862 1 5 JBBFHO