smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1ccccc1C[NH2+][C@H]1CO[C@@H](C[NH+]2CCC(F)(F)CC2)[C@@H]1O ZINC000514288780 448160937 /nfs/dbraw/zinc/16/09/37/448160937.db2.gz CVPMMTGUTIEZQH-CWRNSKLLSA-N 2 1 342.386 1.341 40 10 biogenic,in-vitro EDCBMP