smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(=O)cc2oc3c(=O)oc4cc([O-])ccc4c3c([O-])c-2c1[O-] ZINC000013378583 560215832 /nfs/dbraw/zinc/21/58/32/560215832.db2.gz IRFJPHPNKCAISA-UHFFFAOYSA-N -3 3 326.260 2.478 1 5 biogenic,in-vitro EEBFHL Cc1c([O-])c2c(O)c3c4ccc([O-])cc4oc(=O)c3oc-2cc1=O ZINC000013378583 560215834 /nfs/dbraw/zinc/21/58/34/560215834.db2.gz IRFJPHPNKCAISA-UHFFFAOYSA-N -2 3 326.260 2.478 1 5 biogenic,in-vitro EEBFHL