smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccc(O)cc3)[C@H]2CO1 ZINC000028218853 210164492 /nfs/dbraw/zinc/16/44/92/210164492.db2.gz NVOXCPGNRALXLK-BNOWGMLFSA-N 0 1 373.365 -0.010 1 30 FBEFMN CC(=O)CC(=O)C=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 ZINC000101510617 222277981 /nfs/dbraw/zinc/27/79/81/222277981.db2.gz LOIMFMZFYGFBJX-BAXPDFHCSA-N 0 1 366.366 -0.091 1 30 FBEFMN CC(=O)C=C(O)C=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 ZINC000101510617 222277977 /nfs/dbraw/zinc/27/79/77/222277977.db2.gz LOIMFMZFYGFBJX-BAXPDFHCSA-N 0 1 366.366 -0.091 1 30 FBEFMN