smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCNc1nc(NCc2cccc([N+](=O)[O-])c2)cc(C2CC2)[nH+]1 ZINC000329035798 223130682 /nfs/dbraw/zinc/13/06/82/223130682.db2.gz RFJBYYCSMKSNPV-UHFFFAOYSA-N 2 2 356.430 1.692 40 5 FDBBLP C[NH+](C)CCNc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(C2CC2)[nH+]1 ZINC000328976847 571326531 /nfs/dbraw/zinc/32/65/31/571326531.db2.gz FQJSGDFPFIPXAK-UHFFFAOYSA-N 2 2 356.430 1.692 40 5 FDBBLP C[NH+](C)CCNc1nc(NCc2ccccc2[N+](=O)[O-])cc(C2CC2)[nH+]1 ZINC000328967968 223127124 /nfs/dbraw/zinc/12/71/24/223127124.db2.gz CWQPYSNGFOUENR-UHFFFAOYSA-N 2 2 356.430 1.692 40 5 FDBBLP