smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(c1ccc([N-]S(=O)(=O)c2cccc3nccnc32)c(F)c1)N1CCC(O)(c2cccc(F)c2F)CC1 ZINC000217635278 562877661 /nfs/dbraw/zinc/87/76/61/562877661.db2.gz WZYUSRHLSRFYTF-UHFFFAOYSA-N -1 1 542.539 3.972 1 70 KHIFMM