smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)OCC([N+](=O)[O-])([N+]([O-])=NC(=O)OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])CO1 ZINC000103534816 559156113 /nfs/dbraw/zinc/15/61/13/559156113.db2.gz MOPZXCPCUVVXSP-KHPPLWFESA-N 0 1 412.224 -0.675 10 10 HBCEMN CC1(C)OCC([N+](=O)[O-])([N+](=O)N=C([O-])OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])CO1 ZINC000103534816 559156111 /nfs/dbraw/zinc/15/61/11/559156111.db2.gz MOPZXCPCUVVXSP-KHPPLWFESA-N 0 1 412.224 -0.675 10 10 HBCEMN