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](Cn1ccc(N)nc1=O)OCP(=O)([O-])[O-] ZINC000026980946 717114090 /nfs/dbraw/zinc/11/40/90/717114090.db2.gz AGTYBYJNORXZIU-VIFPVBQESA-O -1 1 321.294 -0.948 1 5 DBBFMM C[N+](C)(C)C[C@@H](Cn1ccc(N)nc1=O)OCP(=O)([O-])[O-] ZINC000026980938 717113901 /nfs/dbraw/zinc/11/39/01/717113901.db2.gz AGTYBYJNORXZIU-SECBINFHSA-O -1 1 321.294 -0.948 1 5 DBBFMM