smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)OCC([N+](=O)[O-])([N+](=O)Nc2nonc2N=Nc2nonc2N[N+](=O)C2([N+](=O)[O-])COC(C)(C)OC2)CO1 ZINC000225422957 571789147 /nfs/dbraw/zinc/78/91/47/571789147.db2.gz UEAQMPRQNZZOMP-ZCXUNETKSA-N 2 2 574.424 1.351 50 10 KDCALP