smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1c(Cl)c(=O)c2c(O)c(-c3cc(Cl)c([O-])c(Cl)c3)coc-2c1Cl ZINC000013451755 291293564 /nfs/dbraw/zinc/29/35/64/291293564.db2.gz DLYZYPZOHLDANF-UHFFFAOYSA-N -1 2 422.047 5.493 1 0 biogenic,in-vitro HKAFLM C/C=C/C/C=C/C/C=C/CCCCCCCC[C@@H]1OC[C@@H](CO[P@@](=O)([O-])O)O1 ZINC000028564422 541109725 /nfs/dbraw/zinc/10/97/25/541109725.db2.gz DXOPTPZUSBDQEI-ZKBMHLGVSA-N -1 2 416.495 5.427 1 0 HKAFLM C/C=C/C/C=C/C/C=C/CCCCCCCC[C@@H]1OC[C@@H](CO[P@](=O)([O-])O)O1 ZINC000028564422 541109731 /nfs/dbraw/zinc/10/97/31/541109731.db2.gz DXOPTPZUSBDQEI-ZKBMHLGVSA-N -1 2 416.495 5.427 1 0 HKAFLM C/C=C/C/C=C/C/C=C/CCCCCCCC[C@H]1OC[C@@H](CO[P@@](=O)([O-])O)O1 ZINC000028564424 541109575 /nfs/dbraw/zinc/10/95/75/541109575.db2.gz DXOPTPZUSBDQEI-ASGGYNJDSA-N -1 2 416.495 5.427 1 0 HKAFLM C/C=C/C/C=C/C/C=C/CCCCCCCC[C@H]1OC[C@@H](CO[P@](=O)([O-])O)O1 ZINC000028564424 541109578 /nfs/dbraw/zinc/10/95/78/541109578.db2.gz DXOPTPZUSBDQEI-ASGGYNJDSA-N -1 2 416.495 5.427 1 0 HKAFLM C/C=C/C/C=C/C/C=C/CCCCCCCC[C@@H]1OC[C@H](CO[P@@](=O)([O-])O)O1 ZINC000028564426 541109691 /nfs/dbraw/zinc/10/96/91/541109691.db2.gz DXOPTPZUSBDQEI-SACWDKBKSA-N -1 2 416.495 5.427 1 0 HKAFLM C/C=C/C/C=C/C/C=C/CCCCCCCC[C@@H]1OC[C@H](CO[P@](=O)([O-])O)O1 ZINC000028564426 541109696 /nfs/dbraw/zinc/10/96/96/541109696.db2.gz DXOPTPZUSBDQEI-SACWDKBKSA-N -1 2 416.495 5.427 1 0 HKAFLM C/C=C/C/C=C/C/C=C/CCCCCCCC[C@H]1OC[C@H](CO[P@@](=O)([O-])O)O1 ZINC000028564428 541109754 /nfs/dbraw/zinc/10/97/54/541109754.db2.gz DXOPTPZUSBDQEI-SXJFNZFASA-N -1 2 416.495 5.427 1 0 HKAFLM C/C=C/C/C=C/C/C=C/CCCCCCCC[C@H]1OC[C@H](CO[P@](=O)([O-])O)O1 ZINC000028564428 541109758 /nfs/dbraw/zinc/10/97/58/541109758.db2.gz DXOPTPZUSBDQEI-SXJFNZFASA-N -1 2 416.495 5.427 1 0 HKAFLM