smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CC[N+]3(CC2)CC[NH+](C)CC3)cc1 ZINC000066111947 524440601 /nfs/dbraw/zinc/44/06/01/524440601.db2.gz ODKRRBXFNBIQBG-UHFFFAOYSA-N 2 1 276.404 1.277 1 10 CDCFMP