smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)[C@@]1(O)Cc2c(O)c3c(c([O-])c2[C@H](O[C@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O ZINC000008034968 562938743 /nfs/dbraw/zinc/93/87/43/562938743.db2.gz XDXDZDZNSLXDNA-LGVQOGFTSA-N 0 3 497.500 1.020 10 10 JDCEHN