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)c2cccc3cccnc32)c(F)c1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000217763704 562877733 /nfs/dbraw/zinc/87/77/33/562877733.db2.gz MCTNWENDXFZBCU-UHFFFAOYSA-N -1 1 540.016 4.952 1 70 KJIFMM