smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name OC[C@H]1O[C@@H](n2cnc3c2ncnc3NCCc2c[nH]c3ccccc23)[C@H](O)[C@@H]1O ZINC000031601196 527623886 /nfs/dbraw/zinc/62/38/86/527623886.db2.gz QGCNEMXXKWZPHR-WVSUBDOOSA-N 0 0 410.434 0.574 30 0 HCACRN