smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069704237 362993566 /nfs/dbraw/zinc/99/35/66/362993566.db2.gz PATWIURVXUBLJG-UHFFFAOYSA-N 1 3 291.395 2.411 50 5 CEBAHO