smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(-c2nc(N)cc(Nc3ccc(Oc4ccccc4)cc3)[nH+]2)cc1OC ZINC000217757429 568473800 /nfs/dbraw/zinc/47/38/00/568473800.db2.gz AQAUMTKYNAWPHB-UHFFFAOYSA-N 1 2 414.465 5.279 40 70 HKIBLO COc1ccc(-c2nc(Nc3ccc(Oc4ccccc4)cc3)cc(N)[nH+]2)cc1OC ZINC000217757429 568473801 /nfs/dbraw/zinc/47/38/01/568473801.db2.gz AQAUMTKYNAWPHB-UHFFFAOYSA-N 1 2 414.465 5.279 40 70 HKIBLO