smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1oc2c(O)c(Oc3ccc(O)c(O)c3O)cc3c(=O)oc4c(O)c([O-])cc1c4c32 ZINC000015150733 563017682 /nfs/dbraw/zinc/01/76/82/563017682.db2.gz LGMNKSBINQXDAI-UHFFFAOYSA-N -1 2 426.289 2.516 1 10 IFCFLM