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@H]1CN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)[O-])cn3C(C)(C)C)C[C@H](C)O1 ZINC000028868020 132494205 /nfs/dbraw/zinc/49/42/05/132494205.db2.gz VXOHALDVGJOUCA-QWRGUYRKSA-N -1 0 404.423 2.372 1 5 HEBFRM C[C@@H]1CN(c2c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)[O-])cn4c3c2OC[C@H]4C)C[C@@H](C)O1 ZINC000029127041 132494992 /nfs/dbraw/zinc/49/49/92/132494992.db2.gz OLBFELXEJBQDQC-OPRDCNLKSA-N -1 0 421.381 2.314 1 5 HEBFRM C[C@@H]1CN(c2c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)[O-])cn4c3c2OC[C@@H]4C)C[C@@H](C)O1 ZINC000029127039 132495023 /nfs/dbraw/zinc/49/50/23/132495023.db2.gz OLBFELXEJBQDQC-IVZWLZJFSA-N -1 0 421.381 2.314 1 5 HEBFRM