smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@]12CCC[C@H](O1)c1c(cc3c(c1OS(=O)(=O)[O-])C(=O)c1c(O)cc([O-])cc1C3=O)O2 ZINC000031166492 291336906 /nfs/dbraw/zinc/33/69/06/291336906.db2.gz VTOWVRODCXECEJ-YUNKPMOVSA-N -2 0 448.405 2.405 10 10 biogenic IECERL