smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(O)c(C[C@@H](O)C(C)(C)OC)c([O-])c1C(=O)/C=C/c1ccc(O)cc1 ZINC000014762528 560225650 /nfs/dbraw/zinc/22/56/50/560225650.db2.gz YXGBQKBRCDLZMP-QPGLYAHGSA-N -1 1 402.443 3.037 1 30 in-vitro HGEFMM COc1cc(O)c(C[C@H](O)C(C)(C)OC)c([O-])c1C(=O)/C=C/c1ccc(O)cc1 ZINC000014762530 291238473 /nfs/dbraw/zinc/23/84/73/291238473.db2.gz YXGBQKBRCDLZMP-VQFGERMISA-N -1 1 402.443 3.037 1 30 biogenic,in-vitro HGEFMM Cc1cc([O-])c2c(=O)c3c(cc-2o1)OC(C)(C)[C@@H]1OC(=O)[C@@]2(CCC[C@H]31)O[C@@H]2C ZINC000085594147 291241875 /nfs/dbraw/zinc/24/18/75/291241875.db2.gz UQWXSKZMHVCTKX-DNMHFWELSA-N -1 1 400.427 3.315 1 30 biogenic,in-vitro HGEFMM COc1c([O-])c(Cc2c[nH]cc2CC=O)c2oc(-c3ccc(O)cc3)cc(O)c-2c1=O ZINC000103533394 291237722 /nfs/dbraw/zinc/23/77/22/291237722.db2.gz UOPFGSYVFFGUNY-UHFFFAOYSA-N -1 1 420.397 3.032 1 30 biogenic,in-vitro HGEFMM Cc1cc([O-])c2c(=O)c3c(cc-2o1)OC(C)(C)[C@@H]1OC(=O)[C@]2(CCC[C@H]31)O[C@@H]2C ZINC000085594146 291241879 /nfs/dbraw/zinc/24/18/79/291241879.db2.gz UQWXSKZMHVCTKX-WFFNAJRZSA-N -1 1 400.427 3.315 1 30 biogenic,in-vitro HGEFMM