smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(C)C)C(=O)CF ZINC000058583127 562700044 /nfs/dbraw/zinc/70/00/44/562700044.db2.gz MOQLQMKJGYKHCT-VRKQFSAKSA-N 0 0 672.821 0.621 30 0 KCACRN COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1 ZINC000101823000 562812221 /nfs/dbraw/zinc/81/22/21/562812221.db2.gz SASYBZIIPQSWBV-ZWXZMKCMSA-N 0 0 501.404 0.878 30 0 KCACRN