smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](NC(N)=[NH2+])C[C@@H]2NC(N)=[NH2+])[C@H](NC(N)=[NH2+])[C@@H](O)[C@@H]1O ZINC000009574306 562973383 /nfs/dbraw/zinc/97/33/83/562973383.db2.gz ZPDRGOJGQGWHOF-HKEUSBCWSA-N 3 3 448.485 -6.542 1 0 IAAFHP