smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)OCC[N+]1(C)CC[N+](C)(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000000701986 555542909 /nfs/dbraw/zinc/54/29/09/555542909.db2.gz BWXNPJQLMDRDSD-UHFFFAOYSA-N 2 0 446.582 4.347 50 5 IIBARP