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)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@H](OS(=O)(=O)C(F)(F)F)[C@H]2S(=O)(=O)C1(C)C ZINC000036332078 563126253 /nfs/dbraw/zinc/12/62/53/563126253.db2.gz DBOGCZKZFKDFDK-OYNCUSHFSA-N 0 0 495.450 0.055 1 70 JCIFRN CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)[C@H](OS(=O)(=O)C(F)(F)F)[C@H]2S1(=O)=O ZINC000036332080 563126283 /nfs/dbraw/zinc/12/62/83/563126283.db2.gz APWFCAIPADXVIC-GMXVVIOVSA-N 0 0 471.431 0.709 1 70 JCIFRN