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@@H]1C(=O)O[C@@H]2CC[N@H+]3C[C@H]4O[C@@]4(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@H]23 ZINC000061971799 296263721 /nfs/dbraw/zinc/26/37/21/296263721.db2.gz HYJVJRUXRDRLNM-FIMWVWONSA-N 1 2 341.360 -1.181 40 30 EAEBLO C[C@@H]1C(=O)O[C@@H]2CC[N@@H+]3C[C@H]4O[C@@]4(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@H]23 ZINC000061971799 296263718 /nfs/dbraw/zinc/26/37/18/296263718.db2.gz HYJVJRUXRDRLNM-FIMWVWONSA-N 1 2 341.360 -1.181 40 30 EAEBLO C[C@H]1C(=O)O[C@@H]2CC[N@H+]3C[C@H]4O[C@@]4(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@H]23 ZINC000061971800 374295666 /nfs/dbraw/zinc/29/56/66/374295666.db2.gz HYJVJRUXRDRLNM-LIIRVNAYSA-N 1 2 341.360 -1.181 40 30 EAEBLO C[C@H]1C(=O)O[C@@H]2CC[N@@H+]3C[C@H]4O[C@@]4(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@H]23 ZINC000061971800 374295661 /nfs/dbraw/zinc/29/56/61/374295661.db2.gz HYJVJRUXRDRLNM-LIIRVNAYSA-N 1 2 341.360 -1.181 40 30 EAEBLO C[C@@H]1C(=O)O[C@H]2CC[N@H+]3C[C@H]4O[C@@]4(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@H]23 ZINC000061971801 296263980 /nfs/dbraw/zinc/26/39/80/296263980.db2.gz HYJVJRUXRDRLNM-YPPWIFJPSA-N 1 2 341.360 -1.181 40 30 EAEBLO C[C@@H]1C(=O)O[C@H]2CC[N@@H+]3C[C@H]4O[C@@]4(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@H]23 ZINC000061971801 296263977 /nfs/dbraw/zinc/26/39/77/296263977.db2.gz HYJVJRUXRDRLNM-YPPWIFJPSA-N 1 2 341.360 -1.181 40 30 EAEBLO C[C@H]1C(=O)O[C@H]2CC[N@H+]3C[C@H]4O[C@@]4(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@H]23 ZINC000061971802 374295128 /nfs/dbraw/zinc/29/51/28/374295128.db2.gz HYJVJRUXRDRLNM-WKNJGTBNSA-N 1 2 341.360 -1.181 40 30 EAEBLO C[C@H]1C(=O)O[C@H]2CC[N@@H+]3C[C@H]4O[C@@]4(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@H]23 ZINC000061971802 374295119 /nfs/dbraw/zinc/29/51/19/374295119.db2.gz HYJVJRUXRDRLNM-WKNJGTBNSA-N 1 2 341.360 -1.181 40 30 EAEBLO