smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)c1ccc(CN2CC[N@H+](C(CO)CO)C[C@@H](O)C2)cc1 ZINC000217900057 373071116 /nfs/dbraw/zinc/07/11/16/373071116.db2.gz RWMIAMRUFSGKEM-HNNXBMFYSA-N 1 1 323.393 -1.383 50 70 DAIAMO NC(=O)c1ccc(C[N@@H+]2CCN(C(CO)CO)C[C@@H](O)C2)cc1 ZINC000217900057 373071121 /nfs/dbraw/zinc/07/11/21/373071121.db2.gz RWMIAMRUFSGKEM-HNNXBMFYSA-N 1 1 323.393 -1.383 50 70 DAIAMO NC(=O)c1ccc(C[N@H+]2CCN(C(CO)CO)C[C@@H](O)C2)cc1 ZINC000217900057 373071128 /nfs/dbraw/zinc/07/11/28/373071128.db2.gz RWMIAMRUFSGKEM-HNNXBMFYSA-N 1 1 323.393 -1.383 50 70 DAIAMO