smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N+](CC)(CC)CCOc1ccc(N(CC[N+](CC)(CC)CC)c2ccccc2)cc1 ZINC000005333420 556046424 /nfs/dbraw/zinc/04/64/24/556046424.db2.gz MNXZMFAWNWWPNI-UHFFFAOYSA-N 2 0 441.704 5.957 40 5 IKBBRP CC[N+](CC)(CC)CCOc1ccccc1N(CC[N+](CC)(CC)CC)c1ccccc1 ZINC000005333425 556046412 /nfs/dbraw/zinc/04/64/12/556046412.db2.gz NGLJGDQYRFMERG-UHFFFAOYSA-N 2 0 441.704 5.957 40 5 IKBBRP C[N+]1(CCc2ccccc2)CCC(CCC2CC[N+](C)(CCc3ccccc3)CC2)CC1 ZINC000004683898 556006303 /nfs/dbraw/zinc/00/63/03/556006303.db2.gz BMRLHJAYGYKYHS-UHFFFAOYSA-N 2 0 434.712 5.965 40 5 IKBBRP CC[N+](C)(CCCCCCCCCC[N+](CC)(CC)CC)Cc1cc2ccccc2o1 ZINC000004834790 557545676 /nfs/dbraw/zinc/54/56/76/557545676.db2.gz CBJSOGNFNBQCFC-UHFFFAOYSA-N 2 0 430.721 7.397 40 5 IKBBRP