smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1ncnc2c1ncn2[C@@H]1O[C@H]([C@@H](O)C(=O)c2ccc(S(=O)(=O)F)cc2)[C@@H](O)[C@H]1O ZINC000114216593 569862750 /nfs/dbraw/zinc/86/27/50/569862750.db2.gz AKRCNJOMANOEBR-CNUKPYSBSA-N 0 0 453.408 -1.070 40 70 JAIBRN