smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=Nc1c([O-])[n-]c2ccccc2c1=O 100775788 351701925 /nfs/dbraw/zinc/70/19/25/351701925.db2.gz QOWGKOOAVPYSPT-UHFFFAOYSA-N -2 1 190.158 2.044 40 0 AEABML