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)(CCBr)CCCC(=O)[O-] ZINC000169309005 717155379 /nfs/dbraw/zinc/15/53/79/717155379.db2.gz GTVDDKLCFZQOFY-UHFFFAOYSA-O 0 0 239.133 1.323 1 50 BDGFRN C[N+](C)(CBr)CCCC(=O)[O-] ZINC000169309001 717155366 /nfs/dbraw/zinc/15/53/66/717155366.db2.gz BDBNSQLKEOUWBV-UHFFFAOYSA-O 0 0 225.106 1.280 1 50 BDGFRN