smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000825855588 607462492 /nfs/dbraw/zinc/46/24/92/607462492.db2.gz HYEVJUOJWYIATE-UHFFFAOYSA-N 1 1 261.289 -0.129 20 50 CBGDMO C[NH+](C)CC(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000825855840 607464551 /nfs/dbraw/zinc/46/45/51/607464551.db2.gz KIKJGMZFBSQHJJ-UHFFFAOYSA-N 1 1 261.289 -0.129 20 50 CBGDMO C[NH+](C)CC(=O)NN=Cc1ccccc1-c1nn[nH]n1 ZINC000825854466 607888499 /nfs/dbraw/zinc/88/84/99/607888499.db2.gz BLZOIGDAAHNSFB-UHFFFAOYSA-N 1 1 273.300 -0.122 20 50 CBGDMO