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](NC(=O)COc1cc([O-])c2c(c1)OC(C)(C)CC2=O)c1nc2ccccc2n1C ZINC000218092943 569882758 /nfs/dbraw/zinc/88/27/58/569882758.db2.gz OGAIJTGPCNZVFK-QHCPKHFHSA-N -1 3 451.523 3.915 50 70 biogenic JHIAHM