smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(S(=O)c2cc(C)cc(C(C)(C)C)c2[O-])c([O-])c(C(C)(C)C)c1 ZINC000001085208 219367572 /nfs/dbraw/zinc/36/75/72/219367572.db2.gz UYCYHQZXSNDUEK-UHFFFAOYSA-N -2 3 374.546 5.476 40 0 FKABHL Cc1ccc([O-])c(Cc2cc(Cl)cc(Cc3cc(C)ccc3O)c2[O-])c1 ZINC000001679636 571248644 /nfs/dbraw/zinc/24/86/44/571248644.db2.gz BWZRLHQJZYOXOA-UHFFFAOYSA-N -2 3 368.860 5.255 40 0 FKABHL CCC(CC)(P(=O)([O-])[O-])[P@](=O)([O-])CC/C=C(\C)CCC=C(C)C ZINC000005964838 571271299 /nfs/dbraw/zinc/27/12/99/571271299.db2.gz CCPPHZCIKVRQOV-NTCAYCPXSA-N -3 3 366.375 5.034 40 0 FKABHL