smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc2oc3cc([O-])c(OC)c(CC=C(C)C)c3c([O-])c-2c(=O)c1CC=C(C)C ZINC000003925289 291295123 /nfs/dbraw/zinc/29/51/23/291295123.db2.gz YRKKJHJIWCRNCW-UHFFFAOYSA-N -2 1 424.493 5.392 40 5 endogenous,in-man HKBBML