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@@H](CC(=O)[O-])c1ccc(OCc2ccc(CN3CCC4(C=Cc5ccccc54)CC3)s2)cc1 ZINC000117691287 569862819 /nfs/dbraw/zinc/86/28/19/569862819.db2.gz YSVQUSMRABAJAR-VWLOTQADSA-N -1 3 497.660 6.469 30 0 JKACHM