smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c(=O)[nH]cc(CC[N@@H+]2CCCn3nc([C@@H](O)CO)cc3C2)c1=O ZINC000217191675 241242628 /nfs/dbraw/zinc/24/26/28/241242628.db2.gz ADHKJUCATFFIIM-AWEZNQCLSA-N 1 0 349.391 -1.256 50 70 EAIARO Cn1c(=O)[nH]cc(CC[N@@H+]2CCCn3nc([C@H](O)CO)cc3C2)c1=O ZINC000217191682 241241808 /nfs/dbraw/zinc/24/18/08/241241808.db2.gz ADHKJUCATFFIIM-CQSZACIVSA-N 1 0 349.391 -1.256 50 70 EAIARO COCCn1cncc1CN1CC[N@@H+](C(CO)CO)C[C@@H](O)C1 ZINC000217588072 241260619 /nfs/dbraw/zinc/26/06/19/241260619.db2.gz OIIATAJPZILRRF-HNNXBMFYSA-N 1 0 328.413 -1.639 50 70 EAIARO Cn1c(=O)[nH]cc(CC(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2[NH+]2CCCC2)c1=O ZINC000218028771 241292238 /nfs/dbraw/zinc/29/22/38/241292238.db2.gz DYNGQAVNDLQZBP-FAAHXZRKSA-N 1 0 348.403 -1.016 50 70 EAIARO