smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc([O-])c2c(=O)cc(OC)c3c4c(OC)cc([O-])c5c(=O)cc(OC)c(c1c23)c54 ZINC000013650843 562999203 /nfs/dbraw/zinc/99/92/03/562999203.db2.gz NSZZOXIDMIFTCS-UHFFFAOYSA-N -2 0 434.400 3.341 1 5 IGBFRL Cc1ccc2c([O-])c(C(=O)Nc3ccc4c(O)c(C(=O)[O-])cc([N+](=O)[O-])c4n3)ccc2n1 ZINC000040394521 563100428 /nfs/dbraw/zinc/10/04/28/563100428.db2.gz YOUQSFVDRFZVNU-UHFFFAOYSA-N -2 0 434.364 3.361 1 5 IGBFRL