smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(O)c-3c(=O)c2O)[C@H](O)[C@H](O)[C@@H]1O ZINC000040403297 563139753 /nfs/dbraw/zinc/13/97/53/563139753.db2.gz AOWRAYJMTOYETH-BFUACXKISA-N 0 2 460.391 0.231 1 10 JCCFLN CC(=O)O[C@H]1[C@H](C)O[C@@H](Oc2cc3c(=O)oc4c(O)c(O)cc5c(=O)oc(c2O)c3c54)[C@H](O)[C@@H]1O ZINC000040915745 563155569 /nfs/dbraw/zinc/15/55/69/563155569.db2.gz VOPUKLDLFBJYLS-SNJKDYRCSA-N 0 2 490.373 0.384 1 10 biogenic,in-vitro JCCFLN COc1c(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc2c(=O)oc3c(O)c(O)cc4c(=O)oc1c2c43 ZINC000095913628 560056505 /nfs/dbraw/zinc/05/65/05/560056505.db2.gz LPXGCZRQLILWOH-UKZWKHHHSA-N 0 2 462.363 0.117 1 10 biogenic,in-vitro JCCFLN