smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1nc([N+](=O)[O-])nc1-n1cc[nH+]c1 1080157 169063338 /nfs/dbraw/zinc/06/33/38/169063338.db2.gz GETKJCVWQCHBRL-UHFFFAOYSA-N 1 2 194.154 -0.091 50 5 ABBALO NNc1nc(N)c([N+](=O)[O-])c[nH+]1 37737500 169238418 /nfs/dbraw/zinc/23/84/18/169238418.db2.gz XDGPTSQRMQYKPB-UHFFFAOYSA-N 1 2 170.132 -0.747 50 5 ABBALO