smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@H]1C4=C(CC[C@@]13C)C(=O)OC4)[C@@H]2OCO[P@@](=O)([O-])O ZINC000072400677 569703659 /nfs/dbraw/zinc/70/36/59/569703659.db2.gz QROUIGQWVUTWFM-RWBWCDHPSA-N -1 2 470.411 1.194 10 30 in-vitro JDEELM CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@H]1C4=C(CC[C@@]13C)C(=O)OC4)[C@@H]2OCO[P@](=O)([O-])O ZINC000072400677 569703660 /nfs/dbraw/zinc/70/36/60/569703660.db2.gz QROUIGQWVUTWFM-RWBWCDHPSA-N -1 2 470.411 1.194 10 30 in-vitro JDEELM