smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCn1cc2c(n1)nc([N-]C(=O)Nc1ccc(S(=O)(=O)F)cc1)n1nc(-c3ccco3)nc21 ZINC000043300349 563169310 /nfs/dbraw/zinc/16/93/10/563169310.db2.gz XOLUPBLUZGIGNN-UHFFFAOYSA-N -1 3 484.473 3.446 1 70 JGIFHM CCn1cc2c(n1)nc([N-]C(=O)Nc1ccc(S(=O)(=O)F)cc1)n1nc(-c3ccco3)nc21 ZINC000043300236 563169199 /nfs/dbraw/zinc/16/91/99/563169199.db2.gz KMFFNBZQRKLUFF-UHFFFAOYSA-N -1 3 470.446 3.056 1 70 JGIFHM