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(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000514390519 1066442026 /nfs/dbraw/zinc/44/20/26/1066442026.db2.gz MOGNQUDSWPUYBK-UHFFFAOYSA-N -1 1 542.536 3.959 20 5 KHBDMM