smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CCCCCCCCc1ccccc1 ZINC000027559040 717114681 /nfs/dbraw/zinc/11/46/81/717114681.db2.gz BGCOXCULUHNORN-UHFFFAOYSA-N 1 0 248.434 4.276 1 5 BIBFRO [NH3+]CCc1ccc2ccc3cccc4ccc1c2c34 ZINC000044397558 181412428 /nfs/dbraw/zinc/41/24/28/181412428.db2.gz WUMDHWAMJFRWNL-UHFFFAOYSA-N 1 0 245.325 4.085 1 5 BIBFRO