smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCOC(=O)C[N+](C)(C)CCOC1CC2CCC1(C)C2(C)C ZINC000100730851 558782837 /nfs/dbraw/zinc/78/28/37/558782837.db2.gz PXKXUBYATLLJIS-UMFSSWHCSA-N 1 3 424.690 5.978 40 30 HKEBHO CCCCCCCCCCCCCCCCCC[n+]1cccc([C@@H]2CCCN2C)c1 ZINC000104184319 559158801 /nfs/dbraw/zinc/15/88/01/559158801.db2.gz TZSKSEVZYIKXFK-NDEPHWFRSA-N 1 3 415.730 8.002 40 30 HKEBHO CCCCCCCCCCCCCCCCCC[n+]1cccc([C@H]2CCCN2C)c1 ZINC000104184322 559158784 /nfs/dbraw/zinc/15/87/84/559158784.db2.gz TZSKSEVZYIKXFK-MUUNZHRXSA-N 1 3 415.730 8.002 40 30 HKEBHO