smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc([O-])c(-c2c(O)cc(OC)c3c2CCc2cc(O)ccc2-3)c2ccc3cc(O)ccc3c12 ZINC000001531701 562920517 /nfs/dbraw/zinc/92/05/17/562920517.db2.gz LCCDZCVHGDFKNQ-UHFFFAOYSA-N -1 3 480.516 6.265 10 5 biogenic,in-vitro JKBEHM