smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C[C@@H]1COc2ccccc2O1)C(=O)Cc1cc(=O)[n-][nH]c1=O ZINC000217855324 241279200 /nfs/dbraw/zinc/27/92/00/241279200.db2.gz URRTVEDXKKSDRA-LLVKDONJSA-N -1 1 331.328 -0.096 50 70 EBIAMM Cc1[n-][nH]c(=O)c1CC(=O)N1CCCn2nc([C@H](O)CO)cc2C1 ZINC000216964817 241230778 /nfs/dbraw/zinc/23/07/78/241230778.db2.gz ANNGMJQNPIOHES-CYBMUJFWSA-N -1 1 335.364 -0.791 50 70 EBIAMM CN(C[C@H]1COc2ccccc2O1)C(=O)Cc1cc(=O)[n-][nH]c1=O ZINC000217855389 241280116 /nfs/dbraw/zinc/28/01/16/241280116.db2.gz URRTVEDXKKSDRA-NSHDSACASA-N -1 1 331.328 -0.096 50 70 EBIAMM Cc1[n-][nH]c(=O)c1CC(=O)N1CCCn2nc([C@@H](O)CO)cc2C1 ZINC000216964802 241231321 /nfs/dbraw/zinc/23/13/21/241231321.db2.gz ANNGMJQNPIOHES-ZDUSSCGKSA-N -1 1 335.364 -0.791 50 70 EBIAMM CSCC[C@@H](CO)NC(=O)CCc1c(C)nc2[n-]cnn2c1=O ZINC000218522647 241328136 /nfs/dbraw/zinc/32/81/36/241328136.db2.gz OGGGOTSQXXYAOM-JTQLQIEISA-N -1 1 339.421 -0.111 50 70 EBIAMM