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]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC000014860732 560227307 /nfs/dbraw/zinc/22/73/07/560227307.db2.gz JNWDNAASYHRXMG-RXMQYKEDSA-N 0 2 306.226 0.753 1 10 in-vitro DCCFLN COC(=O)[C@H]1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21 ZINC000014860733 560227291 /nfs/dbraw/zinc/22/72/91/560227291.db2.gz JNWDNAASYHRXMG-YFKPBYRVSA-N 0 2 306.226 0.753 1 10 biogenic,in-vitro DCCFLN