smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N1CCN([C@H]2[C@@H]3OC[C@@H](O3)[C@@H]([NH2+]Cc3ccc(N(C)C)cc3)[C@@H]2O)CC1 ZINC000020463677 560093410 /nfs/dbraw/zinc/09/34/10/560093410.db2.gz NWKJXXNHUKXBHN-SSSFQFABSA-N 1 0 404.511 -0.141 40 10 biogenic,in-vitro HBCBRO