smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c([O-])ccc2c3ccc([O-])c(C)c3c(=O)oc12 ZINC000028571097 581092259 /nfs/dbraw/zinc/09/22/59/581092259.db2.gz JLALBSSBYZKONR-UHFFFAOYSA-N -2 3 256.257 2.974 1 5 CFBFHL COc1ccc(=O)c2c([O-])c3c([O-])cc(C)cc3oc1-2 ZINC000014815342 560226560 /nfs/dbraw/zinc/22/65/60/560226560.db2.gz SNBQFXGZSPRJLG-UHFFFAOYSA-N -2 3 272.256 2.674 1 5 biogenic,in-vitro CFBFHL COc1ccc([O-])c2c([O-])c3c(=O)cc(C)cc-3oc12 ZINC000014815342 560226561 /nfs/dbraw/zinc/22/65/61/560226561.db2.gz SNBQFXGZSPRJLG-UHFFFAOYSA-N -2 3 272.256 2.674 1 5 biogenic,in-vitro CFBFHL Cc1c([O-])ccc2c3ccc([O-])c(F)c3oc(=O)c12 ZINC000028571907 171564621 /nfs/dbraw/zinc/56/46/21/171564621.db2.gz UDOXPBLYMBAGJR-UHFFFAOYSA-N -2 3 260.220 2.805 1 5 CFBFHL COc1c([O-])cc2c(=O)oc3cc([O-])cc4ccc1c2c43 ZINC000014817716 290854766 /nfs/dbraw/zinc/85/47/66/290854766.db2.gz FHMVNGNRHMPWOI-UHFFFAOYSA-N -2 3 282.251 2.957 1 5 biogenic,in-vitro CFBFHL