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/c1ccc(C2=[NH+]CCN2)cc1)\c1ccc(/C=N\c2ccc(C3=[NH+]CCN3)cc2)cc1 ZINC000104386706 559160848 /nfs/dbraw/zinc/16/08/48/559160848.db2.gz GCVHCUVOGBWZNW-XEUGNBHESA-N 2 0 420.520 3.887 40 30 HHEBRP C(=N/c1ccc(C2=[NH+]CCN2)cc1)\c1ccc(/C=N/c2ccc(C3=[NH+]CCN3)cc2)cc1 ZINC000001691354 557281113 /nfs/dbraw/zinc/28/11/13/557281113.db2.gz GCVHCUVOGBWZNW-LTTYKRRRSA-N 2 0 420.520 3.887 40 30 HHEBRP C(=N\c1ccc(C2=[NH+]CCN2)cc1)\c1ccc(/C=N\c2ccc(C3=[NH+]CCN3)cc2)cc1 ZINC000104386701 559160865 /nfs/dbraw/zinc/16/08/65/559160865.db2.gz GCVHCUVOGBWZNW-KUUUIRGPSA-N 2 0 420.520 3.887 40 30 HHEBRP