smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NNC(=O)c1cccc([O-])c1 31292 1385325752 /nfs/dbraw/zinc/32/57/52/1385325752.db2.gz OACGSLLKFCMXSX-UHFFFAOYSA-N -1 3 152.153 -0.004 50 50 in-vitro ABGAHM