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@H]1Oc2c(c([O-])c3c(c2[C@@H](CC(=O)[O-])c2ccccc2)OC(C)(C)C=C3)C(=O)[C@H]1C ZINC000013385476 291278214 /nfs/dbraw/zinc/27/82/14/291278214.db2.gz CEJSYHIZUAMEQV-VBQJREDUSA-N -2 3 422.477 4.783 10 0 biogenic HJAEHL C/C(=C\CC/C(C)=C/Cc1c([O-])c(Cl)c(C)c(C=O)c1[O-])CC[C@H](O)C(C)(C)O ZINC000059205597 291271420 /nfs/dbraw/zinc/27/14/20/291271420.db2.gz DVURAWKKNXOYHO-LHDPSMIPSA-N -2 3 424.965 4.999 10 0 biogenic HJAEHL C[C@H]1Oc2c(c([O-])c3c(c2[C@H](CC(=O)[O-])c2ccccc2)OC(C)(C)C=C3)C(=O)[C@H]1C ZINC000031158006 291278220 /nfs/dbraw/zinc/27/82/20/291278220.db2.gz CEJSYHIZUAMEQV-JJRVBVJISA-N -2 3 422.477 4.783 10 0 biogenic HJAEHL