smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)=CCc1cc2c3oc4cc([O-])c(O)cc4c3c(=O)oc2cc1[O-] ZINC000043021437 208301063 /nfs/dbraw/zinc/30/10/63/208301063.db2.gz QQFZXERRGYMNKV-UHFFFAOYSA-N -2 3 352.342 4.318 1 10 FICFHL CN1CCCC[C@H]1c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21 ZINC000015114137 211123017 /nfs/dbraw/zinc/12/30/17/211123017.db2.gz BBZGOLNDVQZCIH-AWEZNQCLSA-N -2 3 351.402 4.028 1 10 in-vitro FICFHL CC(C)=CCC/C(C)=C/C[C@]12O[C@@]1(C)C(=O)c1c([O-])cc([O-])cc1C2=O ZINC000015120529 560228604 /nfs/dbraw/zinc/22/86/04/560228604.db2.gz QTORDDSSLVGNHO-BGTMZHHNSA-N -2 3 356.418 4.087 1 10 in-vitro FICFHL COc1cc([O-])cc2occ(-c3cc([O-])c(O)c(CC=C(C)C)c3)c(=O)c12 ZINC000014762999 220131999 /nfs/dbraw/zinc/13/19/99/220131999.db2.gz PYVPKOSKOWDDSV-UHFFFAOYSA-N -2 3 368.385 4.094 1 10 FICFHL