smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@@H](O)CO)c2cc1N ZINC000001617078 209333310 /nfs/dbraw/zinc/33/33/10/209333310.db2.gz BZHBNLOEUZEUOA-GVXVVHGQSA-N 0 2 377.357 -2.450 1 5 GABFLN CN(C)c1ccc2nc3c(=O)[nH]c(=O)nc-3n(C[C@@H](O)[C@H](O)[C@@H](O)CO)c2c1 ZINC000002770040 209383711 /nfs/dbraw/zinc/38/37/11/209383711.db2.gz POFQIYPMXBAUKU-DYEKYZERSA-N 0 2 391.384 -2.274 1 5 GABFLN CN(C)c1ccc2nc3c(=O)[nH]c(=O)nc-3n(C[C@@H](O)[C@H](O)[C@H](O)CO)c2c1 ZINC000006136022 204167569 /nfs/dbraw/zinc/16/75/69/204167569.db2.gz POFQIYPMXBAUKU-BZPMIXESSA-N 0 2 391.384 -2.274 1 5 GABFLN CN(C)c1ccc2nc3c(=O)[nH]c(=O)nc-3n(C[C@@H](O)[C@@H](O)[C@@H](O)CO)c2c1 ZINC000013151524 210054401 /nfs/dbraw/zinc/05/44/01/210054401.db2.gz POFQIYPMXBAUKU-MBNYWOFBSA-N 0 2 391.384 -2.274 1 5 GABFLN Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@@H](O)[C@H](O)[C@@H](O)CO)c2cc1N ZINC000017189220 221381367 /nfs/dbraw/zinc/38/13/67/221381367.db2.gz BZHBNLOEUZEUOA-MDZLAQPJSA-N 0 2 377.357 -2.450 1 5 GABFLN Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC[C@@H](O)[C@H](O)[C@@H](O)CO)c2cc1C ZINC000085541692 291092439 /nfs/dbraw/zinc/09/24/39/291092439.db2.gz OIYSVGBCXPFZHF-IPYPFGDCSA-N 0 2 390.396 -1.333 1 5 biogenic,in-vitro GABFLN Cc1cc2cc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@@H](O)CO)c2cc1C ZINC000017425054 221383452 /nfs/dbraw/zinc/38/34/52/221383452.db2.gz XHELUUHUHSGXOC-KKUMJFAQSA-N 0 2 375.381 -1.119 3 5 GABFLN