smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)CCN(CC[NH+](C)C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000069743522 442029686 /nfs/dbraw/zinc/02/96/86/442029686.db2.gz MZWVJZLCLAFWJK-MDZDMXLPSA-N 1 3 334.420 1.560 50 5 EDBAHO