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)Nc2nonc2[N+](=O)Nc2nonc2N)CO1 ZINC000225423384 569039810 /nfs/dbraw/zinc/03/98/10/569039810.db2.gz VKBCQRBPZGPOGW-UHFFFAOYSA-N 2 1 402.284 0.093 50 10 HCCAMP