smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)[C@H](O)Cc1c(O)c(C(=O)[C@@H](C)CC)c([O-])c2c(-c3ccccc3)cc(=O)oc12 ZINC000014585958 291271918 /nfs/dbraw/zinc/27/19/18/291271918.db2.gz ZJEGMYRKQKKGKH-KBXCAEBGSA-N -1 1 422.477 4.580 1 30 biogenic,in-vitro HJEFMM COc1cc([O-])c(C(=O)/C=C/c2ccccc2)c2c1[C@H]1[C@@H](O2)[C@](C)(O)CC[C@@H]1C(C)C ZINC000003935485 291276656 /nfs/dbraw/zinc/27/66/56/291276656.db2.gz QNFHIVKGSJTPDD-XUUFYWMYSA-N -1 1 422.521 4.959 1 30 biogenic,in-vitro HJEFMM C=C(C)[C@@H](O)Cc1cc(C(=O)/C=C/c2ccc(O)c(CC=C(C)C)c2)c([O-])cc1O ZINC000014780728 291271921 /nfs/dbraw/zinc/27/19/21/291271921.db2.gz HJJNGNVCQLTMCE-KXOMFBTKSA-N -1 1 408.494 4.688 1 30 biogenic,in-vitro HJEFMM C=C(C)[C@H](C=C(C)C)Cc1c(O)cc(O)c(C(=O)/C=C/c2ccc(O)cc2O)c1[O-] ZINC000059586054 291271929 /nfs/dbraw/zinc/27/19/29/291271929.db2.gz JATDBUOCFBCNHR-IQIBNGDESA-N -1 1 410.466 4.812 1 30 biogenic,in-vitro HJEFMM