smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(-c2c3cnn(C(C)C)c3nc3c4ccc([O-])cc4oc32)ccc1OCC(=O)[O-] ZINC000096114373 569382921 /nfs/dbraw/zinc/38/29/21/569382921.db2.gz DOUDWYAREOXQQF-UHFFFAOYSA-N -2 3 447.447 4.756 50 5 biogenic IJBAHL