smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@]1(CO)C[N@H+](Cc2ccccc2)C[C@@H]2C[NH+](Cc3ccccc3O)CCN21 ZINC000253403954 212135890 /nfs/dbraw/zinc/13/58/90/212135890.db2.gz QRZOFOHJTJQYQW-GMAHTHKFSA-N 2 2 381.520 2.145 40 10 biogenic,in-vitro GECBLP C[C@@]1(CO)C[N@@H+](Cc2ccccc2)C[C@@H]2C[NH+](Cc3ccccc3O)CCN21 ZINC000253403954 212135893 /nfs/dbraw/zinc/13/58/93/212135893.db2.gz QRZOFOHJTJQYQW-GMAHTHKFSA-N 2 2 381.520 2.145 40 10 biogenic,in-vitro GECBLP C[C@@]1(CO)C[NH+](Cc2ccccc2)C[C@@H]2C[N@H+](Cc3ccccc3O)CCN21 ZINC000253403954 212135895 /nfs/dbraw/zinc/13/58/95/212135895.db2.gz QRZOFOHJTJQYQW-GMAHTHKFSA-N 2 2 381.520 2.145 40 10 biogenic,in-vitro GECBLP C[C@@]1(CO)C[NH+](Cc2ccccc2)C[C@@H]2C[N@@H+](Cc3ccccc3O)CCN21 ZINC000253403954 212135898 /nfs/dbraw/zinc/13/58/98/212135898.db2.gz QRZOFOHJTJQYQW-GMAHTHKFSA-N 2 2 381.520 2.145 40 10 biogenic,in-vitro GECBLP