smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(OP(=O)([O-])[O-])cc1-c1ccccc1 ZINC000071296334 176112127 /nfs/dbraw/zinc/11/21/27/176112127.db2.gz KLDREDYBGVYJJP-UHFFFAOYSA-N -2 0 295.187 2.733 1 5 CFBFRL O=[N+]([O-])c1cc(-c2ccccc2)ccc1OP(=O)([O-])[O-] ZINC000071329800 176124472 /nfs/dbraw/zinc/12/44/72/176124472.db2.gz FUXXXZADXIBHGW-UHFFFAOYSA-N -2 0 295.187 2.733 1 5 CFBFRL O=C([O-])c1cc(C(=O)[O-])c2ccc3ccccc3c2n1 ZINC000039195096 174165339 /nfs/dbraw/zinc/16/53/39/174165339.db2.gz WXVDZXUOHQLCSF-UHFFFAOYSA-N -2 0 267.240 2.784 1 5 CFBFRL