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]2OCOP(=O)([O-])[O-] ZINC000072400677 569703658 /nfs/dbraw/zinc/70/36/58/569703658.db2.gz QROUIGQWVUTWFM-RWBWCDHPSA-N -2 0 470.411 1.194 10 30 in-vitro JDEERL C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)COP(=O)([O-])[O-])[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12 ZINC000004213829 562932681 /nfs/dbraw/zinc/93/26/81/562932681.db2.gz PWTIEVRZANUUHG-PJHHCJLFSA-N -2 0 454.456 1.921 10 30 in-man JDEERL