smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc(S(=O)(=O)F)nn1)CC2 ZINC001164709158 719923317 /nfs/dbraw/zinc/92/33/17/719923317.db2.gz ZUJLSNXTGBDGGS-UHFFFAOYSA-N 1 2 423.474 -0.181 20 70 HBIDLO