smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=O)C[N+](C)(C)C)c(C)c1 ZINC000916271130 717194268 /nfs/dbraw/zinc/19/42/68/717194268.db2.gz ZHGWHVGGGQATHJ-UHFFFAOYSA-O 1 0 390.511 3.312 10 50 GGGERO