smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)C[C@@H](Cn1cnc2c1nc(N)nc2N)OCP(=O)([O-])[O-] ZINC000026980881 717114127 /nfs/dbraw/zinc/11/41/27/717114127.db2.gz RZYZIWWFICZRPO-MRVPVSSYSA-O -1 1 360.335 -0.783 1 5 FBBFMM C[N+](C)(C)C[C@H](Cn1cnc2c1nc(N)nc2N)OCP(=O)([O-])[O-] ZINC000026980888 717114214 /nfs/dbraw/zinc/11/42/14/717114214.db2.gz RZYZIWWFICZRPO-QMMMGPOBSA-O -1 1 360.335 -0.783 1 5 FBBFMM