smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]C(=O)C(=N[N-]c2[nH]cnc2[N+](=O)[O-])C(=O)N1 ZINC000008694195 351328760 /nfs/dbraw/zinc/32/87/60/351328760.db2.gz MSSVBMJKIRBFNO-UHFFFAOYSA-N -2 1 267.161 -0.708 50 30 CBEAML